data_18989 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18989 _Entry.PDB_ID 2M47 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18989 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.507 -0.107 18989 2 1 1 . 1 1 2 2 PRO CA C 2 62.400 62.400 63.503 -1.103 18989 3 1 1 . 1 1 2 2 PRO CB C 2 32.800 32.800 31.787 1.013 18989 4 1 1 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.482 -0.002 18989 5 1 1 . 1 1 3 3 LYS C C 3 176.600 176.600 175.970 0.630 18989 6 1 1 . 1 1 3 3 LYS CA C 3 55.900 55.900 56.215 -0.315 18989 7 1 1 . 1 1 3 3 LYS CB C 3 34.200 34.200 34.279 -0.079 18989 8 1 1 . 1 1 4 4 SER N N 4 117.800 117.800 114.914 2.886 18989 9 1 1 . 1 1 4 4 SER HA H 4 4.220 4.220 4.611 -0.391 18989 10 1 1 . 1 1 4 4 SER C C 4 174.100 174.100 173.512 0.588 18989 11 1 1 . 1 1 4 4 SER CA C 4 59.700 59.700 58.295 1.405 18989 12 1 1 . 1 1 4 4 SER CB C 4 63.700 63.700 64.209 -0.509 18989 13 1 1 . 1 1 5 5 LEU N N 5 124.700 124.700 130.323 -5.623 18989 14 1 1 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.611 0.189 18989 15 1 1 . 1 1 5 5 LEU C C 5 175.500 175.500 175.447 0.053 18989 16 1 1 . 1 1 5 5 LEU CA C 5 54.000 54.000 53.995 0.006 18989 17 1 1 . 1 1 5 5 LEU CB C 5 43.200 43.200 39.235 3.965 18989 18 1 1 . 1 1 6 6 THR N N 6 111.200 111.200 113.200 -2.000 18989 19 1 1 . 1 1 6 6 THR HA H 6 5.620 5.620 5.336 0.284 18989 20 1 1 . 1 1 6 6 THR C C 6 174.500 174.500 173.707 0.793 18989 21 1 1 . 1 1 6 6 THR CA C 6 59.700 59.700 59.915 -0.215 18989 22 1 1 . 1 1 6 6 THR CB C 6 73.000 73.000 71.585 1.415 18989 23 1 1 . 1 1 7 7 PHE N N 7 120.700 120.700 125.429 -4.729 18989 24 1 1 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.932 -0.182 18989 25 1 1 . 1 1 7 7 PHE C C 7 172.100 172.100 173.194 -1.094 18989 26 1 1 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.408 1.892 18989 27 1 1 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.110 0.390 18989 28 1 1 . 1 1 8 8 GLU N N 8 122.100 122.100 121.630 0.470 18989 29 1 1 . 1 1 8 8 GLU HA H 8 5.380 5.380 4.686 0.694 18989 30 1 1 . 1 1 8 8 GLU C C 8 172.500 172.500 174.071 -1.571 18989 31 1 1 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.259 0.241 18989 32 1 1 . 1 1 8 8 GLU CB C 8 33.500 33.500 32.968 0.532 18989 33 1 1 . 1 1 9 9 ASP N N 9 117.400 117.400 119.743 -2.343 18989 34 1 1 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.754 0.066 18989 35 1 1 . 1 1 9 9 ASP C C 9 173.500 173.500 174.137 -0.637 18989 36 1 1 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.631 -0.531 18989 37 1 1 . 1 1 9 9 ASP CB C 9 45.100 45.100 43.879 1.222 18989 38 1 1 . 1 1 10 10 SER N N 10 113.600 113.600 117.795 -4.195 18989 39 1 1 . 1 1 10 10 SER HA H 10 5.990 5.990 5.662 0.328 18989 40 1 1 . 1 1 10 10 SER C C 10 172.600 172.600 173.380 -0.780 18989 41 1 1 . 1 1 10 10 SER CA C 10 57.300 57.300 56.640 0.660 18989 42 1 1 . 1 1 10 10 SER CB C 10 68.100 68.100 66.287 1.813 18989 43 1 1 . 1 1 11 11 ILE N N 11 122.700 122.700 122.301 0.399 18989 44 1 1 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.420 0.100 18989 45 1 1 . 1 1 11 11 ILE C C 11 171.300 171.300 173.711 -2.411 18989 46 1 1 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.461 0.539 18989 47 1 1 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.352 1.048 18989 48 1 1 . 1 1 12 12 ASN N N 12 124.600 124.600 125.126 -0.526 18989 49 1 1 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.850 0.430 18989 50 1 1 . 1 1 12 12 ASN C C 12 174.700 174.700 174.550 0.150 18989 51 1 1 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.504 -0.204 18989 52 1 1 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.371 0.229 18989 53 1 1 . 1 1 13 13 ILE N N 13 122.900 122.900 124.216 -1.316 18989 54 1 1 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.326 0.124 18989 55 1 1 . 1 1 13 13 ILE C C 13 175.300 175.300 175.596 -0.296 18989 56 1 1 . 1 1 13 13 ILE CA C 13 60.300 60.300 60.193 0.107 18989 57 1 1 . 1 1 13 13 ILE CB C 13 41.600 41.600 40.209 1.391 18989 58 1 1 . 1 1 14 14 ALA N N 14 136.600 136.600 128.659 7.941 18989 59 1 1 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.425 0.275 18989 60 1 1 . 1 1 14 14 ALA C C 14 175.100 175.100 176.433 -1.333 18989 61 1 1 . 1 1 14 14 ALA CA C 14 51.000 51.000 52.272 -1.272 18989 62 1 1 . 1 1 14 14 ALA CB C 14 16.300 16.300 19.000 -2.700 18989 63 1 1 . 1 1 15 15 ALA N N 15 122.100 122.100 121.575 0.525 18989 64 1 1 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.676 0.084 18989 65 1 1 . 1 1 15 15 ALA CA C 15 50.000 50.000 49.006 0.994 18989 66 1 1 . 1 1 15 15 ALA CB C 15 21.100 21.100 19.802 1.298 18989 67 1 1 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.424 0.186 18989 68 1 1 . 1 1 16 16 PRO C C 16 179.200 179.200 177.572 1.628 18989 69 1 1 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.553 -0.453 18989 70 1 1 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.837 0.263 18989 71 1 1 . 1 1 17 17 ILE N N 17 124.400 124.400 120.430 3.970 18989 72 1 1 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.805 0.185 18989 73 1 1 . 1 1 17 17 ILE C C 17 175.800 175.800 176.855 -1.055 18989 74 1 1 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.456 1.244 18989 75 1 1 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.257 0.443 18989 76 1 1 . 1 1 18 18 ASN N N 18 117.200 117.200 117.316 -0.116 18989 77 1 1 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.383 0.307 18989 78 1 1 . 1 1 18 18 ASN C C 18 178.700 178.700 177.750 0.950 18989 79 1 1 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.373 -0.573 18989 80 1 1 . 1 1 18 18 ASN CB C 18 37.100 37.100 37.157 -0.057 18989 81 1 1 . 1 1 19 19 GLN N N 19 120.300 120.300 119.319 0.981 18989 82 1 1 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.092 0.028 18989 83 1 1 . 1 1 19 19 GLN C C 19 178.500 178.500 177.956 0.544 18989 84 1 1 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.410 -0.110 18989 85 1 1 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.566 -0.266 18989 86 1 1 . 1 1 20 20 VAL N N 20 120.300 120.300 119.672 0.628 18989 87 1 1 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.731 -0.281 18989 88 1 1 . 1 1 20 20 VAL C C 20 177.500 177.500 178.049 -0.549 18989 89 1 1 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.106 0.094 18989 90 1 1 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.121 -0.221 18989 91 1 1 . 1 1 21 21 TYR N N 21 118.800 118.800 121.702 -2.902 18989 92 1 1 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.184 -0.604 18989 93 1 1 . 1 1 21 21 TYR C C 21 177.800 177.800 177.263 0.537 18989 94 1 1 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.879 1.021 18989 95 1 1 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.379 0.021 18989 96 1 1 . 1 1 22 22 ALA N N 22 120.400 120.400 120.173 0.227 18989 97 1 1 . 1 1 22 22 ALA HA H 22 3.760 3.760 4.048 -0.288 18989 98 1 1 . 1 1 22 22 ALA C C 22 178.000 178.000 178.381 -0.381 18989 99 1 1 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.455 0.245 18989 100 1 1 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.487 0.013 18989 101 1 1 . 1 1 23 23 LEU N N 23 116.400 116.400 118.296 -1.896 18989 102 1 1 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.193 0.037 18989 103 1 1 . 1 1 23 23 LEU C C 23 177.200 177.200 178.651 -1.451 18989 104 1 1 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.064 0.936 18989 105 1 1 . 1 1 23 23 LEU CB C 23 42.400 42.400 42.338 0.062 18989 106 1 1 . 1 1 24 24 VAL N N 24 128.600 128.600 113.725 14.875 18989 107 1 1 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.963 -0.603 18989 108 1 1 . 1 1 24 24 VAL C C 24 175.200 175.200 176.813 -1.613 18989 109 1 1 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.516 -0.216 18989 110 1 1 . 1 1 24 24 VAL CB C 24 30.800 30.800 31.923 -1.123 18989 111 1 1 . 1 1 25 25 SER N N 25 108.500 108.500 116.345 -7.845 18989 112 1 1 . 1 1 25 25 SER HA H 25 2.520 2.520 4.204 -1.684 18989 113 1 1 . 1 1 25 25 SER CA C 25 58.200 58.200 58.569 -0.369 18989 114 1 1 . 1 1 25 25 SER CB C 25 63.600 63.600 62.217 1.383 18989 115 1 1 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.728 0.182 18989 116 1 1 . 1 1 26 26 ASP C C 26 175.500 175.500 174.891 0.609 18989 117 1 1 . 1 1 26 26 ASP CA C 26 51.200 51.200 53.627 -2.428 18989 118 1 1 . 1 1 26 26 ASP CB C 26 38.100 38.100 41.236 -3.136 18989 119 1 1 . 1 1 27 27 ILE N N 27 123.500 123.500 121.887 1.613 18989 120 1 1 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.196 -0.806 18989 121 1 1 . 1 1 27 27 ILE C C 27 178.900 178.900 174.896 4.004 18989 122 1 1 . 1 1 27 27 ILE CA C 27 61.700 61.700 61.617 0.083 18989 123 1 1 . 1 1 27 27 ILE CB C 27 36.600 36.600 38.940 -2.340 18989 124 1 1 . 1 1 28 28 THR N N 28 112.500 112.500 115.592 -3.092 18989 125 1 1 . 1 1 28 28 THR HA H 28 4.350 4.350 4.188 0.162 18989 126 1 1 . 1 1 28 28 THR C C 28 176.500 176.500 174.401 2.099 18989 127 1 1 . 1 1 28 28 THR CA C 28 64.000 64.000 62.400 1.600 18989 128 1 1 . 1 1 28 28 THR CB C 28 68.600 68.600 69.068 -0.468 18989 129 1 1 . 1 1 29 29 ARG N N 29 121.100 121.100 124.281 -3.181 18989 130 1 1 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.346 -0.066 18989 131 1 1 . 1 1 29 29 ARG CA C 29 56.200 56.200 55.425 0.775 18989 132 1 1 . 1 1 29 29 ARG CB C 29 30.600 30.600 33.187 -2.587 18989 133 1 1 . 1 1 30 30 THR HA H 30 5.870 5.870 4.144 1.726 18989 134 1 1 . 1 1 30 30 THR C C 30 174.000 174.000 173.703 0.297 18989 135 1 1 . 1 1 30 30 THR CA C 30 66.000 66.000 63.113 2.887 18989 136 1 1 . 1 1 30 30 THR CB C 30 69.400 69.400 68.398 1.002 18989 137 1 1 . 1 1 31 31 GLY N N 31 106.200 106.200 113.304 -7.104 18989 138 1 1 . 1 1 31 31 GLY C C 31 175.200 175.200 174.729 0.471 18989 139 1 1 . 1 1 31 31 GLY CA C 31 46.200 46.200 45.364 0.836 18989 140 1 1 . 1 1 32 32 GLU N N 32 118.400 118.400 120.112 -1.712 18989 141 1 1 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.096 -0.126 18989 142 1 1 . 1 1 32 32 GLU C C 32 177.500 177.500 177.061 0.439 18989 143 1 1 . 1 1 32 32 GLU CA C 32 58.800 58.800 57.761 1.039 18989 144 1 1 . 1 1 32 32 GLU CB C 32 29.800 29.800 29.457 0.343 18989 145 1 1 . 1 1 33 33 TRP N N 33 113.200 113.200 116.496 -3.296 18989 146 1 1 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.977 -0.037 18989 147 1 1 . 1 1 33 33 TRP C C 33 175.300 175.300 175.117 0.183 18989 148 1 1 . 1 1 33 33 TRP CA C 33 56.400 56.400 55.492 0.908 18989 149 1 1 . 1 1 33 33 TRP CB C 33 30.600 30.600 28.987 1.613 18989 150 1 1 . 1 1 34 34 SER N N 34 118.600 118.600 115.782 2.818 18989 151 1 1 . 1 1 34 34 SER HA H 34 4.930 4.930 4.241 0.689 18989 152 1 1 . 1 1 34 34 SER CA C 34 54.700 54.700 58.306 -3.606 18989 153 1 1 . 1 1 34 34 SER CB C 34 63.000 63.000 63.018 -0.018 18989 154 1 1 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.665 -0.205 18989 155 1 1 . 1 1 35 35 PRO C C 35 177.100 177.100 177.413 -0.313 18989 156 1 1 . 1 1 35 35 PRO CA C 35 64.500 64.500 64.260 0.240 18989 157 1 1 . 1 1 35 35 PRO CB C 35 32.300 32.300 32.246 0.054 18989 158 1 1 . 1 1 36 36 VAL N N 36 113.900 113.900 112.144 1.756 18989 159 1 1 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.222 -0.122 18989 160 1 1 . 1 1 36 36 VAL C C 36 174.200 174.200 175.719 -1.519 18989 161 1 1 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.978 -0.078 18989 162 1 1 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.806 0.694 18989 163 1 1 . 1 1 37 37 CYS N N 37 121.000 121.000 118.881 2.119 18989 164 1 1 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.497 -0.037 18989 165 1 1 . 1 1 37 37 CYS C C 37 173.600 173.600 174.737 -1.137 18989 166 1 1 . 1 1 37 37 CYS CA C 37 58.500 58.500 59.283 -0.783 18989 167 1 1 . 1 1 37 37 CYS CB C 37 27.000 27.000 30.186 -3.186 18989 168 1 1 . 1 1 38 38 GLU N N 38 129.300 129.300 123.610 5.690 18989 169 1 1 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.269 -0.129 18989 170 1 1 . 1 1 38 38 GLU C C 38 176.500 176.500 176.056 0.444 18989 171 1 1 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.076 -0.176 18989 172 1 1 . 1 1 38 38 GLU CB C 38 31.800 31.800 31.126 0.674 18989 173 1 1 . 1 1 39 39 LYS N N 39 117.100 117.100 118.837 -1.737 18989 174 1 1 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.703 -0.233 18989 175 1 1 . 1 1 39 39 LYS C C 39 173.600 173.600 174.439 -0.839 18989 176 1 1 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.928 -0.128 18989 177 1 1 . 1 1 39 39 LYS CB C 39 36.500 36.500 35.383 1.117 18989 178 1 1 . 1 1 40 40 CYS N N 40 125.100 125.100 123.615 1.485 18989 179 1 1 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.288 0.122 18989 180 1 1 . 1 1 40 40 CYS C C 40 173.000 173.000 173.907 -0.907 18989 181 1 1 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.739 -0.639 18989 182 1 1 . 1 1 40 40 CYS CB C 40 30.100 30.100 30.691 -0.591 18989 183 1 1 . 1 1 41 41 TRP N N 41 124.300 124.300 124.205 0.095 18989 184 1 1 . 1 1 41 41 TRP HA H 41 4.830 4.830 5.098 -0.268 18989 185 1 1 . 1 1 41 41 TRP C C 41 174.100 174.100 173.344 0.756 18989 186 1 1 . 1 1 41 41 TRP CA C 41 56.300 56.300 55.718 0.582 18989 187 1 1 . 1 1 41 41 TRP CB C 41 32.400 32.400 31.178 1.222 18989 188 1 1 . 1 1 42 42 TRP N N 42 123.700 123.700 122.286 1.414 18989 189 1 1 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.779 0.051 18989 190 1 1 . 1 1 42 42 TRP C C 42 178.200 178.200 176.331 1.869 18989 191 1 1 . 1 1 42 42 TRP CA C 42 57.000 57.000 55.667 1.333 18989 192 1 1 . 1 1 42 42 TRP CB C 42 31.600 31.600 33.429 -1.829 18989 193 1 1 . 1 1 43 43 ASP N N 43 124.400 124.400 122.778 1.622 18989 194 1 1 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.459 0.221 18989 195 1 1 . 1 1 43 43 ASP C C 43 176.300 176.300 177.143 -0.843 18989 196 1 1 . 1 1 43 43 ASP CA C 43 56.300 56.300 57.072 -0.772 18989 197 1 1 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.509 -0.209 18989 198 1 1 . 1 1 44 44 GLU N N 44 119.400 119.400 117.190 2.210 18989 199 1 1 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.271 -0.001 18989 200 1 1 . 1 1 44 44 GLU C C 44 176.500 176.500 177.586 -1.086 18989 201 1 1 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.466 -0.866 18989 202 1 1 . 1 1 44 44 GLU CB C 44 30.200 30.200 29.037 1.163 18989 203 1 1 . 1 1 45 45 ASP N N 45 118.300 118.300 120.273 -1.973 18989 204 1 1 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.618 -0.138 18989 205 1 1 . 1 1 45 45 ASP C C 45 175.900 175.900 177.008 -1.108 18989 206 1 1 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.392 -0.392 18989 207 1 1 . 1 1 45 45 ASP CB C 45 40.200 40.200 41.605 -1.405 18989 208 1 1 . 1 1 46 46 GLU N N 46 118.200 118.200 117.886 0.314 18989 209 1 1 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.541 -0.081 18989 210 1 1 . 1 1 46 46 GLU C C 46 175.200 175.200 176.996 -1.796 18989 211 1 1 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.673 -0.074 18989 212 1 1 . 1 1 46 46 GLU CB C 46 30.800 30.800 32.163 -1.363 18989 213 1 1 . 1 1 47 47 GLY N N 47 106.400 106.400 108.410 -2.010 18989 214 1 1 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.952 -1.352 18989 215 1 1 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.540 0.050 18989 216 1 1 . 1 1 48 48 PRO C C 48 173.400 173.400 176.131 -2.731 18989 217 1 1 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.798 0.302 18989 218 1 1 . 1 1 48 48 PRO CB C 48 29.100 29.100 30.881 -1.781 18989 219 1 1 . 1 1 49 49 VAL N N 49 121.900 121.900 117.802 4.098 18989 220 1 1 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.583 0.027 18989 221 1 1 . 1 1 49 49 VAL C C 49 175.100 175.100 174.760 0.340 18989 222 1 1 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.693 0.607 18989 223 1 1 . 1 1 49 49 VAL CB C 49 35.500 35.500 35.494 0.006 18989 224 1 1 . 1 1 50 50 VAL N N 50 121.700 121.700 121.476 0.224 18989 225 1 1 . 1 1 50 50 VAL HA H 50 3.300 3.300 4.154 -0.854 18989 226 1 1 . 1 1 50 50 VAL C C 50 177.400 177.400 177.262 0.138 18989 227 1 1 . 1 1 50 50 VAL CA C 50 66.200 66.200 64.045 2.155 18989 228 1 1 . 1 1 50 50 VAL CB C 50 31.300 31.300 31.215 0.085 18989 229 1 1 . 1 1 51 51 GLY N N 51 115.800 115.800 116.890 -1.090 18989 230 1 1 . 1 1 51 51 GLY C C 51 174.200 174.200 174.200 0.000 18989 231 1 1 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.611 -0.011 18989 232 1 1 . 1 1 52 52 ALA N N 52 123.000 123.000 126.133 -3.133 18989 233 1 1 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.326 0.224 18989 234 1 1 . 1 1 52 52 ALA C C 52 177.300 177.300 175.198 2.102 18989 235 1 1 . 1 1 52 52 ALA CA C 52 52.800 52.800 52.298 0.502 18989 236 1 1 . 1 1 52 52 ALA CB C 52 23.100 23.100 20.230 2.870 18989 237 1 1 . 1 1 53 53 HIS N N 53 115.900 115.900 117.964 -2.064 18989 238 1 1 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.191 0.829 18989 239 1 1 . 1 1 53 53 HIS C C 53 174.200 174.200 173.860 0.340 18989 240 1 1 . 1 1 53 53 HIS CA C 53 55.200 55.200 53.692 1.508 18989 241 1 1 . 1 1 53 53 HIS CB C 53 32.100 32.100 31.361 0.739 18989 242 1 1 . 1 1 54 54 PHE N N 54 115.800 115.800 121.454 -5.654 18989 243 1 1 . 1 1 54 54 PHE HA H 54 5.150 5.150 3.816 1.334 18989 244 1 1 . 1 1 54 54 PHE C C 54 172.600 172.600 173.538 -0.938 18989 245 1 1 . 1 1 54 54 PHE CA C 54 55.500 55.500 56.193 -0.693 18989 246 1 1 . 1 1 54 54 PHE CB C 54 41.700 41.700 38.302 3.398 18989 247 1 1 . 1 1 55 55 THR N N 55 118.300 118.300 118.113 0.187 18989 248 1 1 . 1 1 55 55 THR HA H 55 4.770 4.770 4.673 0.097 18989 249 1 1 . 1 1 55 55 THR C C 55 171.800 171.800 173.270 -1.470 18989 250 1 1 . 1 1 55 55 THR CA C 55 61.000 61.000 61.062 -0.062 18989 251 1 1 . 1 1 55 55 THR CB C 55 70.200 70.200 71.314 -1.114 18989 252 1 1 . 1 1 56 56 GLY N N 56 110.500 110.500 111.603 -1.103 18989 253 1 1 . 1 1 56 56 GLY C C 56 171.100 171.100 172.255 -1.155 18989 254 1 1 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.990 -0.690 18989 255 1 1 . 1 1 57 57 ARG N N 57 123.800 123.800 127.002 -3.202 18989 256 1 1 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.393 0.267 18989 257 1 1 . 1 1 57 57 ARG C C 57 172.900 172.900 174.893 -1.993 18989 258 1 1 . 1 1 57 57 ARG CA C 57 55.300 55.300 55.465 -0.166 18989 259 1 1 . 1 1 57 57 ARG CB C 57 32.500 32.500 31.463 1.037 18989 260 1 1 . 1 1 58 58 ASN N N 58 127.200 127.200 124.369 2.831 18989 261 1 1 . 1 1 58 58 ASN HA H 58 5.060 5.060 4.785 0.275 18989 262 1 1 . 1 1 58 58 ASN C C 58 173.100 173.100 172.872 0.228 18989 263 1 1 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.312 -1.412 18989 264 1 1 . 1 1 58 58 ASN CB C 58 38.800 38.800 41.770 -2.970 18989 265 1 1 . 1 1 59 59 VAL N N 59 121.400 121.400 124.858 -3.458 18989 266 1 1 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.526 0.154 18989 267 1 1 . 1 1 59 59 VAL C C 59 175.100 175.100 173.828 1.272 18989 268 1 1 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.464 1.936 18989 269 1 1 . 1 1 59 59 VAL CB C 59 35.800 35.800 35.033 0.767 18989 270 1 1 . 1 1 60 60 THR N N 60 118.000 118.000 119.622 -1.622 18989 271 1 1 . 1 1 60 60 THR HA H 60 5.000 5.000 5.048 -0.048 18989 272 1 1 . 1 1 60 60 THR CA C 60 58.900 58.900 58.166 0.734 18989 273 1 1 . 1 1 60 60 THR CB C 60 70.200 70.200 70.202 -0.002 18989 274 1 1 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.464 -0.184 18989 275 1 1 . 1 1 61 61 PRO C C 61 177.700 177.700 176.681 1.019 18989 276 1 1 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.458 1.042 18989 277 1 1 . 1 1 61 61 PRO CB C 61 31.800 31.800 32.082 -0.282 18989 278 1 1 . 1 1 62 62 GLU N N 62 111.700 111.700 116.979 -5.279 18989 279 1 1 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.349 -0.069 18989 280 1 1 . 1 1 62 62 GLU C C 62 176.500 176.500 176.953 -0.453 18989 281 1 1 . 1 1 62 62 GLU CA C 62 57.600 57.600 56.880 0.719 18989 282 1 1 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.619 0.381 18989 283 1 1 . 1 1 63 63 ARG N N 63 118.000 118.000 119.436 -1.436 18989 284 1 1 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.721 -0.031 18989 285 1 1 . 1 1 63 63 ARG C C 63 174.000 174.000 174.475 -0.475 18989 286 1 1 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.072 1.629 18989 287 1 1 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.620 0.080 18989 288 1 1 . 1 1 64 64 THR N N 64 120.700 120.700 113.560 7.140 18989 289 1 1 . 1 1 64 64 THR HA H 64 5.780 5.780 5.032 0.749 18989 290 1 1 . 1 1 64 64 THR C C 64 174.000 174.000 173.515 0.485 18989 291 1 1 . 1 1 64 64 THR CA C 64 61.600 61.600 61.338 0.262 18989 292 1 1 . 1 1 64 64 THR CB C 64 71.700 71.700 69.615 2.085 18989 293 1 1 . 1 1 65 65 TRP N N 65 128.000 128.000 128.087 -0.087 18989 294 1 1 . 1 1 65 65 TRP HA H 65 5.170 5.170 5.046 0.124 18989 295 1 1 . 1 1 65 65 TRP C C 65 172.800 172.800 173.433 -0.633 18989 296 1 1 . 1 1 65 65 TRP CA C 65 57.300 57.300 56.386 0.914 18989 297 1 1 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.092 -0.192 18989 298 1 1 . 1 1 66 66 GLU N N 66 120.800 120.800 124.370 -3.570 18989 299 1 1 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.712 0.878 18989 300 1 1 . 1 1 66 66 GLU C C 66 177.300 177.300 174.554 2.746 18989 301 1 1 . 1 1 66 66 GLU CA C 66 54.200 54.200 54.264 -0.064 18989 302 1 1 . 1 1 66 66 GLU CB C 66 32.700 32.700 32.504 0.196 18989 303 1 1 . 1 1 67 67 THR N N 67 113.700 113.700 115.185 -1.485 18989 304 1 1 . 1 1 67 67 THR HA H 67 4.750 4.750 4.545 0.205 18989 305 1 1 . 1 1 67 67 THR C C 67 173.300 173.300 174.144 -0.844 18989 306 1 1 . 1 1 67 67 THR CA C 67 59.500 59.500 60.588 -1.088 18989 307 1 1 . 1 1 67 67 THR CB C 67 71.500 71.500 70.521 0.979 18989 308 1 1 . 1 1 68 68 ARG N N 68 125.300 125.300 126.083 -0.783 18989 309 1 1 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.977 -0.117 18989 310 1 1 . 1 1 68 68 ARG C C 68 175.700 175.700 175.142 0.558 18989 311 1 1 . 1 1 68 68 ARG CA C 68 55.000 55.000 54.396 0.604 18989 312 1 1 . 1 1 68 68 ARG CB C 68 31.700 31.700 32.022 -0.322 18989 313 1 1 . 1 1 69 69 SER N N 69 122.000 122.000 118.622 3.378 18989 314 1 1 . 1 1 69 69 SER HA H 69 5.570 5.570 5.003 0.567 18989 315 1 1 . 1 1 69 69 SER C C 69 172.200 172.200 172.617 -0.417 18989 316 1 1 . 1 1 69 69 SER CA C 69 58.000 58.000 56.935 1.065 18989 317 1 1 . 1 1 69 69 SER CB C 69 66.700 66.700 65.420 1.280 18989 318 1 1 . 1 1 70 70 GLU N N 70 121.900 121.900 125.278 -3.378 18989 319 1 1 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.635 0.565 18989 320 1 1 . 1 1 70 70 GLU C C 70 176.000 176.000 176.675 -0.675 18989 321 1 1 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.973 -1.373 18989 322 1 1 . 1 1 70 70 GLU CB C 70 34.700 34.700 30.770 3.930 18989 323 1 1 . 1 1 71 71 VAL N N 71 126.600 126.600 126.319 0.281 18989 324 1 1 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.146 0.104 18989 325 1 1 . 1 1 71 71 VAL C C 71 177.600 177.600 176.644 0.956 18989 326 1 1 . 1 1 71 71 VAL CA C 71 64.800 64.800 62.619 2.181 18989 327 1 1 . 1 1 71 71 VAL CB C 71 32.200 32.200 29.871 2.329 18989 328 1 1 . 1 1 72 72 ILE N N 72 123.200 123.200 123.754 -0.554 18989 329 1 1 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.340 0.390 18989 330 1 1 . 1 1 72 72 ILE C C 72 175.200 175.200 175.887 -0.687 18989 331 1 1 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.731 -0.731 18989 332 1 1 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.424 1.176 18989 333 1 1 . 1 1 73 73 VAL N N 73 121.700 121.700 121.927 -0.227 18989 334 1 1 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.353 -0.153 18989 335 1 1 . 1 1 73 73 VAL C C 73 172.000 172.000 173.324 -1.324 18989 336 1 1 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.513 0.587 18989 337 1 1 . 1 1 73 73 VAL CB C 73 34.700 34.700 34.796 -0.096 18989 338 1 1 . 1 1 74 74 ALA N N 74 131.100 131.100 131.838 -0.738 18989 339 1 1 . 1 1 74 74 ALA HA H 74 5.320 5.320 4.924 0.396 18989 340 1 1 . 1 1 74 74 ALA C C 74 174.900 174.900 176.698 -1.798 18989 341 1 1 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.317 1.383 18989 342 1 1 . 1 1 74 74 ALA CB C 74 18.300 18.300 19.667 -1.367 18989 343 1 1 . 1 1 75 75 GLU N N 75 126.100 126.100 125.485 0.615 18989 344 1 1 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.851 0.119 18989 345 1 1 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.824 -0.724 18989 346 1 1 . 1 1 75 75 GLU CB C 75 31.300 31.300 30.927 0.373 18989 347 1 1 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.536 -1.916 18989 348 1 1 . 1 1 76 76 PRO CA C 76 63.900 63.900 63.979 -0.079 18989 349 1 1 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.706 0.194 18989 350 1 1 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.332 -0.572 18989 351 1 1 . 1 1 77 77 ASN C C 77 172.700 172.700 174.709 -2.009 18989 352 1 1 . 1 1 77 77 ASN CA C 77 55.100 55.100 54.813 0.287 18989 353 1 1 . 1 1 77 77 ASN CB C 77 36.900 36.900 36.958 -0.058 18989 354 1 1 . 1 1 78 78 ARG N N 78 115.300 115.300 113.986 1.314 18989 355 1 1 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.918 -0.018 18989 356 1 1 . 1 1 78 78 ARG C C 78 176.000 176.000 175.017 0.983 18989 357 1 1 . 1 1 78 78 ARG CA C 78 58.300 58.300 56.113 2.187 18989 358 1 1 . 1 1 78 78 ARG CB C 78 34.000 34.000 33.566 0.435 18989 359 1 1 . 1 1 79 79 CYS N N 79 117.700 117.700 118.813 -1.113 18989 360 1 1 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.119 0.551 18989 361 1 1 . 1 1 79 79 CYS C C 79 172.200 172.200 172.395 -0.195 18989 362 1 1 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.960 -0.760 18989 363 1 1 . 1 1 79 79 CYS CB C 79 29.500 29.500 29.424 0.076 18989 364 1 1 . 1 1 80 80 PHE N N 80 129.500 129.500 129.312 0.188 18989 365 1 1 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.399 0.121 18989 366 1 1 . 1 1 80 80 PHE C C 80 173.400 173.400 174.143 -0.743 18989 367 1 1 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.078 1.822 18989 368 1 1 . 1 1 80 80 PHE CB C 80 43.800 43.800 42.486 1.313 18989 369 1 1 . 1 1 81 81 GLY N N 81 114.500 114.500 115.083 -0.583 18989 370 1 1 . 1 1 81 81 GLY C C 81 171.900 171.900 171.991 -0.091 18989 371 1 1 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.439 2.161 18989 372 1 1 . 1 1 82 82 TRP N N 82 121.700 121.700 123.308 -1.608 18989 373 1 1 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.595 0.195 18989 374 1 1 . 1 1 82 82 TRP C C 82 171.500 171.500 174.118 -2.618 18989 375 1 1 . 1 1 82 82 TRP CA C 82 57.400 57.400 53.832 3.568 18989 376 1 1 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.031 1.869 18989 377 1 1 . 1 1 83 83 SER N N 83 113.600 113.600 114.173 -0.573 18989 378 1 1 . 1 1 83 83 SER HA H 83 5.680 5.680 5.109 0.571 18989 379 1 1 . 1 1 83 83 SER C C 83 174.500 174.500 174.251 0.249 18989 380 1 1 . 1 1 83 83 SER CA C 83 54.800 54.800 56.867 -2.067 18989 381 1 1 . 1 1 83 83 SER CB C 83 66.700 66.700 65.734 0.966 18989 382 1 1 . 1 1 84 84 VAL N N 84 125.400 125.400 128.379 -2.979 18989 383 1 1 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.776 0.074 18989 384 1 1 . 1 1 84 84 VAL C C 84 176.500 176.500 176.309 0.191 18989 385 1 1 . 1 1 84 84 VAL CA C 84 61.400 61.400 62.557 -1.157 18989 386 1 1 . 1 1 84 84 VAL CB C 84 34.600 34.600 30.368 4.232 18989 387 1 1 . 1 1 85 85 THR N N 85 120.300 120.300 121.325 -1.025 18989 388 1 1 . 1 1 85 85 THR HA H 85 3.720 3.720 3.951 -0.231 18989 389 1 1 . 1 1 85 85 THR C C 85 173.500 173.500 173.103 0.397 18989 390 1 1 . 1 1 85 85 THR CA C 85 62.900 62.900 63.625 -0.725 18989 391 1 1 . 1 1 85 85 THR CB C 85 66.600 66.600 68.859 -2.259 18989 392 1 1 . 1 1 86 86 ASP N N 86 119.000 119.000 122.785 -3.785 18989 393 1 1 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.284 -0.064 18989 394 1 1 . 1 1 86 86 ASP C C 86 177.100 177.100 177.002 0.098 18989 395 1 1 . 1 1 86 86 ASP CA C 86 54.700 54.700 55.619 -0.919 18989 396 1 1 . 1 1 86 86 ASP CB C 86 39.700 39.700 39.414 0.285 18989 397 1 1 . 1 1 87 87 GLY N N 87 103.400 103.400 112.754 -9.354 18989 398 1 1 . 1 1 87 87 GLY C C 87 175.000 175.000 174.507 0.493 18989 399 1 1 . 1 1 87 87 GLY CA C 87 45.600 45.600 46.041 -0.441 18989 400 1 1 . 1 1 88 88 ASN N N 88 122.300 122.300 118.691 3.609 18989 401 1 1 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.799 -0.689 18989 402 1 1 . 1 1 88 88 ASN C C 88 174.500 174.500 174.697 -0.197 18989 403 1 1 . 1 1 88 88 ASN CA C 88 55.600 55.600 54.452 1.148 18989 404 1 1 . 1 1 88 88 ASN CB C 88 38.200 38.200 40.111 -1.911 18989 405 1 1 . 1 1 89 89 VAL N N 89 115.700 115.700 119.189 -3.489 18989 406 1 1 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.457 0.373 18989 407 1 1 . 1 1 89 89 VAL C C 89 174.700 174.700 175.024 -0.324 18989 408 1 1 . 1 1 89 89 VAL CA C 89 59.600 59.600 60.812 -1.212 18989 409 1 1 . 1 1 89 89 VAL CB C 89 37.000 37.000 32.623 4.377 18989 410 1 1 . 1 1 90 90 LYS N N 90 123.600 123.600 124.953 -1.353 18989 411 1 1 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.797 0.213 18989 412 1 1 . 1 1 90 90 LYS C C 90 174.100 174.100 174.926 -0.826 18989 413 1 1 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.091 -0.191 18989 414 1 1 . 1 1 90 90 LYS CB C 90 36.300 36.300 35.679 0.621 18989 415 1 1 . 1 1 91 91 TRP N N 91 124.600 124.600 123.570 1.030 18989 416 1 1 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.973 0.127 18989 417 1 1 . 1 1 91 91 TRP C C 91 174.600 174.600 174.434 0.166 18989 418 1 1 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.991 -1.091 18989 419 1 1 . 1 1 91 91 TRP CB C 91 30.800 30.800 30.797 0.003 18989 420 1 1 . 1 1 92 92 ILE N N 92 118.000 118.000 122.992 -4.992 18989 421 1 1 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.347 0.213 18989 422 1 1 . 1 1 92 92 ILE C C 92 176.300 176.300 174.281 2.019 18989 423 1 1 . 1 1 92 92 ILE CA C 92 60.800 60.800 59.011 1.789 18989 424 1 1 . 1 1 92 92 ILE CB C 92 42.100 42.100 38.035 4.065 18989 425 1 1 . 1 1 93 93 TYR N N 93 127.700 127.700 128.416 -0.716 18989 426 1 1 . 1 1 93 93 TYR HA H 93 5.850 5.850 4.916 0.934 18989 427 1 1 . 1 1 93 93 TYR C C 93 175.300 175.300 175.154 0.146 18989 428 1 1 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.688 0.412 18989 429 1 1 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.391 2.409 18989 430 1 1 . 1 1 94 94 SER N N 94 117.900 117.900 119.037 -1.137 18989 431 1 1 . 1 1 94 94 SER HA H 94 5.510 5.510 4.763 0.747 18989 432 1 1 . 1 1 94 94 SER C C 94 172.700 172.700 173.575 -0.875 18989 433 1 1 . 1 1 94 94 SER CA C 94 57.300 57.300 58.001 -0.701 18989 434 1 1 . 1 1 94 94 SER CB C 94 65.600 65.600 63.668 1.932 18989 435 1 1 . 1 1 95 95 MET N N 95 119.600 119.600 128.267 -8.667 18989 436 1 1 . 1 1 95 95 MET HA H 95 5.840 5.840 5.033 0.807 18989 437 1 1 . 1 1 95 95 MET C C 95 173.800 173.800 174.455 -0.655 18989 438 1 1 . 1 1 95 95 MET CA C 95 54.200 54.200 54.906 -0.706 18989 439 1 1 . 1 1 95 95 MET CB C 95 37.400 37.400 35.031 2.369 18989 440 1 1 . 1 1 96 96 GLU N N 96 119.100 119.100 123.981 -4.881 18989 441 1 1 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.887 0.083 18989 442 1 1 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.076 -0.176 18989 443 1 1 . 1 1 96 96 GLU CB C 96 33.000 33.000 31.364 1.636 18989 444 1 1 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.600 0.220 18989 445 1 1 . 1 1 97 97 PRO C C 97 176.300 176.300 176.423 -0.123 18989 446 1 1 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.691 0.409 18989 447 1 1 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.601 1.099 18989 448 1 1 . 1 1 98 98 LEU N N 98 122.900 122.900 125.737 -2.837 18989 449 1 1 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.509 0.021 18989 450 1 1 . 1 1 98 98 LEU C C 98 176.200 176.200 178.943 -2.743 18989 451 1 1 . 1 1 98 98 LEU CA C 98 54.200 54.200 54.074 0.126 18989 452 1 1 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.452 1.648 18989 453 1 1 . 1 1 99 99 GLU N N 99 124.700 124.700 120.156 4.544 18989 454 1 1 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.239 -0.379 18989 455 1 1 . 1 1 99 99 GLU C C 99 176.900 176.900 176.224 0.676 18989 456 1 1 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.118 1.382 18989 457 1 1 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.669 -1.669 18989 458 1 1 . 1 1 100 100 GLU N N 100 118.200 118.200 115.957 2.243 18989 459 1 1 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.533 -0.103 18989 460 1 1 . 1 1 100 100 GLU C C 100 176.200 176.200 175.176 1.024 18989 461 1 1 . 1 1 100 100 GLU CA C 100 56.400 56.400 55.522 0.879 18989 462 1 1 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.256 -0.356 18989 463 1 1 . 1 1 101 101 GLY N N 101 110.100 110.100 108.173 1.927 18989 464 1 1 . 1 1 101 101 GLY C C 101 174.100 174.100 172.623 1.477 18989 465 1 1 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.400 -0.400 18989 466 1 1 . 1 1 102 102 THR N N 102 120.200 120.200 116.844 3.356 18989 467 1 1 . 1 1 102 102 THR HA H 102 4.850 4.850 5.049 -0.199 18989 468 1 1 . 1 1 102 102 THR C C 102 172.700 172.700 173.684 -0.984 18989 469 1 1 . 1 1 102 102 THR CA C 102 63.700 63.700 62.222 1.478 18989 470 1 1 . 1 1 102 102 THR CB C 102 73.600 73.600 72.310 1.290 18989 471 1 1 . 1 1 103 103 VAL N N 103 125.600 125.600 127.638 -2.038 18989 472 1 1 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.544 0.366 18989 473 1 1 . 1 1 103 103 VAL C C 103 175.000 175.000 174.831 0.169 18989 474 1 1 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.890 -0.590 18989 475 1 1 . 1 1 103 103 VAL CB C 103 32.700 32.700 32.131 0.569 18989 476 1 1 . 1 1 104 104 LEU N N 104 133.900 133.900 130.780 3.120 18989 477 1 1 . 1 1 104 104 LEU HA H 104 5.140 5.140 5.274 -0.134 18989 478 1 1 . 1 1 104 104 LEU C C 104 173.800 173.800 175.405 -1.605 18989 479 1 1 . 1 1 104 104 LEU CA C 104 53.300 53.300 53.295 0.005 18989 480 1 1 . 1 1 104 104 LEU CB C 104 46.100 46.100 43.887 2.213 18989 481 1 1 . 1 1 105 105 THR N N 105 124.400 124.400 123.585 0.815 18989 482 1 1 . 1 1 105 105 THR HA H 105 5.210 5.210 4.830 0.380 18989 483 1 1 . 1 1 105 105 THR C C 105 173.500 173.500 172.897 0.603 18989 484 1 1 . 1 1 105 105 THR CA C 105 61.500 61.500 61.837 -0.338 18989 485 1 1 . 1 1 105 105 THR CB C 105 71.100 71.100 70.180 0.920 18989 486 1 1 . 1 1 106 106 GLU N N 106 126.900 126.900 127.839 -0.939 18989 487 1 1 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.863 0.497 18989 488 1 1 . 1 1 106 106 GLU C C 106 173.400 173.400 175.292 -1.892 18989 489 1 1 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.186 0.214 18989 490 1 1 . 1 1 106 106 GLU CB C 106 32.000 32.000 32.087 -0.086 18989 491 1 1 . 1 1 107 107 SER N N 107 120.800 120.800 121.012 -0.212 18989 492 1 1 . 1 1 107 107 SER HA H 107 5.470 5.470 4.838 0.632 18989 493 1 1 . 1 1 107 107 SER C C 107 171.600 171.600 173.022 -1.422 18989 494 1 1 . 1 1 107 107 SER CA C 107 56.000 56.000 57.537 -1.537 18989 495 1 1 . 1 1 107 107 SER CB C 107 66.700 66.700 64.310 2.390 18989 496 1 1 . 1 1 108 108 TRP N N 108 124.600 124.600 129.184 -4.584 18989 497 1 1 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.871 -0.191 18989 498 1 1 . 1 1 108 108 TRP C C 108 175.000 175.000 174.589 0.411 18989 499 1 1 . 1 1 108 108 TRP CA C 108 55.900 55.900 55.618 0.282 18989 500 1 1 . 1 1 108 108 TRP CB C 108 33.600 33.600 30.623 2.977 18989 501 1 1 . 1 1 109 109 GLU N N 109 127.200 127.200 128.503 -1.303 18989 502 1 1 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.197 0.303 18989 503 1 1 . 1 1 109 109 GLU C C 109 172.300 172.300 174.429 -2.129 18989 504 1 1 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.769 -0.669 18989 505 1 1 . 1 1 109 109 GLU CB C 109 32.900 32.900 30.986 1.914 18989 506 1 1 . 1 1 110 110 PHE N N 110 129.400 129.400 128.063 1.337 18989 507 1 1 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.730 -0.040 18989 508 1 1 . 1 1 110 110 PHE C C 110 177.100 177.100 174.255 2.845 18989 509 1 1 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.269 -2.269 18989 510 1 1 . 1 1 110 110 PHE CB C 110 38.500 38.500 40.206 -1.706 18989 511 1 1 . 1 1 111 111 THR N N 111 117.800 117.800 119.099 -1.299 18989 512 1 1 . 1 1 111 111 THR HA H 111 4.510 4.510 4.657 -0.147 18989 513 1 1 . 1 1 111 111 THR CA C 111 61.800 61.800 58.635 3.165 18989 514 1 1 . 1 1 111 111 THR CB C 111 66.100 66.100 69.189 -3.089 18989 515 1 1 . 1 1 113 113 LYS HA H 113 3.990 3.990 3.990 0.000 18989 516 1 1 . 1 1 113 113 LYS C C 113 179.200 179.200 179.016 0.184 18989 517 1 1 . 1 1 114 114 GLY N N 114 110.100 110.100 105.886 4.214 18989 518 1 1 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.186 0.914 18989 519 1 1 . 1 1 115 115 GLN N N 115 121.100 121.100 121.624 -0.524 18989 520 1 1 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.609 -0.599 18989 521 1 1 . 1 1 115 115 GLN C C 115 178.000 178.000 178.384 -0.384 18989 522 1 1 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.955 0.945 18989 523 1 1 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.613 0.787 18989 524 1 1 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.247 -0.107 18989 525 1 1 . 1 1 116 116 ARG C C 116 177.900 177.900 178.874 -0.974 18989 526 1 1 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.292 0.208 18989 527 1 1 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.806 0.194 18989 528 1 1 . 1 1 117 117 PHE N N 117 120.800 120.800 120.175 0.625 18989 529 1 1 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.192 0.278 18989 530 1 1 . 1 1 117 117 PHE C C 117 178.100 178.100 175.781 2.319 18989 531 1 1 . 1 1 117 117 PHE CA C 117 61.200 61.200 60.950 0.250 18989 532 1 1 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.914 0.086 18989 533 1 1 . 1 1 118 118 PHE N N 118 119.600 119.600 115.744 3.856 18989 534 1 1 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.453 -0.223 18989 535 1 1 . 1 1 118 118 PHE C C 118 178.500 178.500 177.406 1.094 18989 536 1 1 . 1 1 118 118 PHE CA C 118 62.300 62.300 61.421 0.879 18989 537 1 1 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.759 0.441 18989 538 1 1 . 1 1 119 119 HIS N N 119 120.900 120.900 121.057 -0.157 18989 539 1 1 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.355 0.265 18989 540 1 1 . 1 1 119 119 HIS C C 119 178.500 178.500 176.592 1.908 18989 541 1 1 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.946 -0.046 18989 542 1 1 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.276 -0.575 18989 543 1 1 . 1 1 120 120 ASP N N 120 120.400 120.400 117.771 2.629 18989 544 1 1 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.425 -0.095 18989 545 1 1 . 1 1 120 120 ASP C C 120 177.500 177.500 177.244 0.256 18989 546 1 1 . 1 1 120 120 ASP CA C 120 57.200 57.200 55.887 1.313 18989 547 1 1 . 1 1 120 120 ASP CB C 120 40.500 40.500 40.934 -0.434 18989 548 1 1 . 1 1 121 121 LYS N N 121 118.100 118.100 117.955 0.145 18989 549 1 1 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.931 -0.121 18989 550 1 1 . 1 1 121 121 LYS C C 121 178.200 178.200 177.268 0.932 18989 551 1 1 . 1 1 121 121 LYS CA C 121 58.100 58.100 58.395 -0.295 18989 552 1 1 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.884 0.316 18989 553 1 1 . 1 1 122 122 PHE N N 122 112.800 112.800 114.404 -1.604 18989 554 1 1 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.649 0.031 18989 555 1 1 . 1 1 122 122 PHE C C 122 177.600 177.600 176.793 0.807 18989 556 1 1 . 1 1 122 122 PHE CA C 122 58.100 58.100 58.897 -0.797 18989 557 1 1 . 1 1 122 122 PHE CB C 122 40.000 40.000 40.670 -0.670 18989 558 1 1 . 1 1 123 123 GLY N N 123 112.200 112.200 108.745 3.455 18989 559 1 1 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.830 0.470 18989 560 1 1 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.443 0.137 18989 561 1 1 . 1 1 124 124 ASP C C 124 177.700 177.700 178.280 -0.580 18989 562 1 1 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.820 -0.020 18989 563 1 1 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.764 -0.664 18989 564 1 1 . 1 1 125 125 LYS N N 125 118.400 118.400 119.022 -0.622 18989 565 1 1 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.224 0.446 18989 566 1 1 . 1 1 125 125 LYS C C 125 177.100 177.100 176.968 0.132 18989 567 1 1 . 1 1 125 125 LYS CA C 125 56.000 56.000 58.177 -2.177 18989 568 1 1 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.440 -0.140 18989 569 1 1 . 1 1 126 126 SER N N 126 116.600 116.600 113.802 2.798 18989 570 1 1 . 1 1 126 126 SER HA H 126 3.830 3.830 4.422 -0.592 18989 571 1 1 . 1 1 126 126 SER C C 126 175.700 175.700 175.921 -0.221 18989 572 1 1 . 1 1 126 126 SER CA C 126 62.700 62.700 59.921 2.779 18989 573 1 1 . 1 1 126 126 SER CB C 126 63.000 63.000 63.017 -0.017 18989 574 1 1 . 1 1 127 127 ILE N N 127 122.300 122.300 123.589 -1.289 18989 575 1 1 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.596 0.214 18989 576 1 1 . 1 1 127 127 ILE C C 127 178.500 178.500 177.394 1.106 18989 577 1 1 . 1 1 127 127 ILE CA C 127 65.000 65.000 65.935 -0.935 18989 578 1 1 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.635 -0.835 18989 579 1 1 . 1 1 128 128 GLU N N 128 120.500 120.500 119.539 0.961 18989 580 1 1 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.900 0.200 18989 581 1 1 . 1 1 128 128 GLU C C 128 179.400 179.400 178.653 0.747 18989 582 1 1 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.695 -0.395 18989 583 1 1 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.242 0.458 18989 584 1 1 . 1 1 129 129 GLU N N 129 118.800 118.800 117.709 1.091 18989 585 1 1 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.996 -0.086 18989 586 1 1 . 1 1 129 129 GLU C C 129 179.900 179.900 178.955 0.945 18989 587 1 1 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.934 0.066 18989 588 1 1 . 1 1 129 129 GLU CB C 129 29.200 29.200 28.980 0.220 18989 589 1 1 . 1 1 130 130 ILE N N 130 122.700 122.700 116.207 6.493 18989 590 1 1 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.673 -0.193 18989 591 1 1 . 1 1 130 130 ILE C C 130 177.600 177.600 177.862 -0.262 18989 592 1 1 . 1 1 130 130 ILE CA C 130 66.400 66.400 63.860 2.540 18989 593 1 1 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.450 0.850 18989 594 1 1 . 1 1 131 131 GLU N N 131 120.100 120.100 120.859 -0.759 18989 595 1 1 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.973 0.417 18989 596 1 1 . 1 1 131 131 GLU C C 131 178.800 178.800 178.578 0.222 18989 597 1 1 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.358 -0.759 18989 598 1 1 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.063 -0.163 18989 599 1 1 . 1 1 132 132 LYS N N 132 118.300 118.300 120.338 -2.038 18989 600 1 1 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.932 0.028 18989 601 1 1 . 1 1 132 132 LYS C C 132 180.400 180.400 178.807 1.593 18989 602 1 1 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.632 0.668 18989 603 1 1 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.494 0.206 18989 604 1 1 . 1 1 133 133 ARG N N 133 118.400 118.400 116.777 1.623 18989 605 1 1 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.968 0.092 18989 606 1 1 . 1 1 133 133 ARG C C 133 178.600 178.600 178.613 -0.013 18989 607 1 1 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.656 -0.655 18989 608 1 1 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.556 -0.157 18989 609 1 1 . 1 1 134 134 ARG N N 134 122.500 122.500 120.968 1.532 18989 610 1 1 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.238 -0.628 18989 611 1 1 . 1 1 134 134 ARG C C 134 177.600 177.600 178.498 -0.898 18989 612 1 1 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.226 0.174 18989 613 1 1 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.251 0.749 18989 614 1 1 . 1 1 135 135 LEU N N 135 118.200 118.200 118.758 -0.558 18989 615 1 1 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.975 -0.165 18989 616 1 1 . 1 1 135 135 LEU C C 135 179.700 179.700 178.473 1.227 18989 617 1 1 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.370 0.331 18989 618 1 1 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.712 -0.312 18989 619 1 1 . 1 1 136 136 ALA N N 136 120.400 120.400 120.440 -0.040 18989 620 1 1 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.957 0.073 18989 621 1 1 . 1 1 136 136 ALA C C 136 180.500 180.500 178.481 2.019 18989 622 1 1 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.802 -0.102 18989 623 1 1 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.994 0.106 18989 624 1 1 . 1 1 137 137 ALA N N 137 123.200 123.200 119.871 3.329 18989 625 1 1 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.843 0.057 18989 626 1 1 . 1 1 137 137 ALA C C 137 178.700 178.700 179.239 -0.539 18989 627 1 1 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.053 1.247 18989 628 1 1 . 1 1 137 137 ALA CB C 137 15.800 15.800 18.266 -2.466 18989 629 1 1 . 1 1 138 138 ILE N N 138 115.400 115.400 117.751 -2.351 18989 630 1 1 . 1 1 138 138 ILE HA H 138 2.830 2.830 2.204 0.626 18989 631 1 1 . 1 1 138 138 ILE C C 138 177.800 177.800 177.383 0.417 18989 632 1 1 . 1 1 138 138 ILE CA C 138 64.200 64.200 63.970 0.230 18989 633 1 1 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.559 -0.159 18989 634 1 1 . 1 1 139 139 THR N N 139 109.500 109.500 114.068 -4.568 18989 635 1 1 . 1 1 139 139 THR HA H 139 4.150 4.150 4.302 -0.152 18989 636 1 1 . 1 1 139 139 THR C C 139 177.300 177.300 176.486 0.814 18989 637 1 1 . 1 1 139 139 THR CA C 139 64.000 64.000 65.509 -1.509 18989 638 1 1 . 1 1 139 139 THR CB C 139 69.600 69.600 69.233 0.367 18989 639 1 1 . 1 1 140 140 GLY N N 140 110.800 110.800 110.649 0.151 18989 640 1 1 . 1 1 140 140 GLY C C 140 176.700 176.700 175.567 1.133 18989 641 1 1 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.745 0.056 18989 642 1 1 . 1 1 141 141 ILE N N 141 122.700 122.700 122.100 0.600 18989 643 1 1 . 1 1 141 141 ILE HA H 141 4.160 4.160 3.944 0.216 18989 644 1 1 . 1 1 141 141 ILE CA C 141 68.300 68.300 67.361 0.939 18989 645 1 1 . 1 1 141 141 ILE CB C 141 36.300 36.300 35.994 0.306 18989 646 1 1 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.492 -0.142 18989 647 1 1 . 1 1 142 142 PRO C C 142 179.300 179.300 179.085 0.215 18989 648 1 1 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.763 0.938 18989 649 1 1 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.084 0.116 18989 650 1 1 . 1 1 143 143 GLU N N 143 113.900 113.900 118.772 -4.872 18989 651 1 1 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.006 0.164 18989 652 1 1 . 1 1 143 143 GLU C C 143 179.600 179.600 178.817 0.783 18989 653 1 1 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.800 -0.500 18989 654 1 1 . 1 1 143 143 GLU CB C 143 30.000 30.000 29.192 0.808 18989 655 1 1 . 1 1 144 144 THR N N 144 119.900 119.900 117.239 2.661 18989 656 1 1 . 1 1 144 144 THR HA H 144 4.290 4.290 4.064 0.226 18989 657 1 1 . 1 1 144 144 THR C C 144 175.800 175.800 177.020 -1.220 18989 658 1 1 . 1 1 144 144 THR CA C 144 67.000 67.000 66.445 0.555 18989 659 1 1 . 1 1 144 144 THR CB C 144 69.500 69.500 68.778 0.722 18989 660 1 1 . 1 1 145 145 LEU N N 145 120.300 120.300 121.654 -1.354 18989 661 1 1 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.061 -0.151 18989 662 1 1 . 1 1 145 145 LEU C C 145 178.700 178.700 178.920 -0.220 18989 663 1 1 . 1 1 145 145 LEU CA C 145 58.600 58.600 57.966 0.634 18989 664 1 1 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.708 -0.208 18989 665 1 1 . 1 1 146 146 VAL N N 146 117.600 117.600 118.729 -1.129 18989 666 1 1 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.712 -0.032 18989 667 1 1 . 1 1 146 146 VAL C C 146 177.700 177.700 178.179 -0.479 18989 668 1 1 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.180 -0.080 18989 669 1 1 . 1 1 146 146 VAL CB C 146 32.000 32.000 31.459 0.541 18989 670 1 1 . 1 1 147 147 ALA N N 147 123.600 123.600 123.223 0.377 18989 671 1 1 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.067 0.163 18989 672 1 1 . 1 1 147 147 ALA C C 147 180.400 180.400 179.584 0.816 18989 673 1 1 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.357 0.243 18989 674 1 1 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.103 0.697 18989 675 1 1 . 1 1 148 148 ILE N N 148 119.600 119.600 119.247 0.353 18989 676 1 1 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.583 -0.273 18989 677 1 1 . 1 1 148 148 ILE C C 148 177.100 177.100 177.972 -0.872 18989 678 1 1 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.545 0.755 18989 679 1 1 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.785 0.415 18989 680 1 1 . 1 1 149 149 GLN N N 149 119.200 119.200 119.152 0.048 18989 681 1 1 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.840 -0.170 18989 682 1 1 . 1 1 149 149 GLN C C 149 178.000 178.000 178.130 -0.130 18989 683 1 1 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.392 0.708 18989 684 1 1 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.785 0.815 18989 685 1 1 . 1 1 150 150 ARG N N 150 120.500 120.500 119.631 0.869 18989 686 1 1 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.110 -0.060 18989 687 1 1 . 1 1 150 150 ARG C C 150 179.000 179.000 178.759 0.241 18989 688 1 1 . 1 1 150 150 ARG CA C 150 59.300 59.300 58.471 0.829 18989 689 1 1 . 1 1 150 150 ARG CB C 150 30.000 30.000 29.658 0.342 18989 690 1 1 . 1 1 151 151 ILE N N 151 119.100 119.100 120.115 -1.015 18989 691 1 1 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.814 -0.164 18989 692 1 1 . 1 1 151 151 ILE C C 151 178.500 178.500 177.692 0.808 18989 693 1 1 . 1 1 151 151 ILE CA C 151 65.300 65.300 63.772 1.528 18989 694 1 1 . 1 1 151 151 ILE CB C 151 39.000 39.000 37.844 1.156 18989 695 1 1 . 1 1 152 152 LEU N N 152 117.100 117.100 119.967 -2.867 18989 696 1 1 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.890 0.190 18989 697 1 1 . 1 1 152 152 LEU C C 152 178.700 178.700 179.127 -0.427 18989 698 1 1 . 1 1 152 152 LEU CA C 152 57.000 57.000 58.057 -1.057 18989 699 1 1 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.425 1.474 18989 700 1 1 . 1 1 153 153 GLU N N 153 117.800 117.800 119.229 -1.429 18989 701 1 1 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.953 0.217 18989 702 1 1 . 1 1 153 153 GLU C C 153 178.300 178.300 179.356 -1.056 18989 703 1 1 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.472 -0.772 18989 704 1 1 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.562 -0.262 18989 705 1 1 . 1 1 154 154 VAL N N 154 119.500 119.500 118.927 0.573 18989 706 1 1 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.830 0.170 18989 707 1 1 . 1 1 154 154 VAL C C 154 177.500 177.500 177.140 0.360 18989 708 1 1 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.206 -1.506 18989 709 1 1 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.992 0.208 18989 710 1 1 . 1 1 155 155 GLU N N 155 121.300 121.300 119.057 2.243 18989 711 1 1 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.125 0.055 18989 712 1 1 . 1 1 155 155 GLU C C 155 177.600 177.600 178.122 -0.522 18989 713 1 1 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.333 -0.333 18989 714 1 1 . 1 1 155 155 GLU CB C 155 29.700 29.700 30.084 -0.384 18989 715 1 1 . 1 1 156 156 LEU N N 156 120.800 120.800 117.208 3.592 18989 716 1 1 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.105 0.125 18989 717 1 1 . 1 1 156 156 LEU C C 156 178.000 178.000 178.230 -0.230 18989 718 1 1 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.328 -1.128 18989 719 1 1 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.836 -0.536 18989 720 1 1 . 1 1 157 157 GLU N N 157 119.700 119.700 113.575 6.125 18989 721 1 1 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.447 -0.317 18989 722 1 1 . 1 1 157 157 GLU C C 157 177.000 177.000 177.533 -0.533 18989 723 1 1 . 1 1 157 157 GLU CA C 157 57.400 57.400 56.283 1.117 18989 724 1 1 . 1 1 157 157 GLU CB C 157 29.800 29.800 31.166 -1.366 18989 725 1 1 . 1 1 158 158 HIS N N 158 117.700 117.700 118.556 -0.856 18989 726 1 1 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.123 0.507 18989 727 1 1 . 1 1 158 158 HIS C C 158 173.900 173.900 173.766 0.134 18989 728 1 1 . 1 1 158 158 HIS CA C 158 56.000 56.000 58.464 -2.464 18989 729 1 1 . 1 1 158 158 HIS CB C 158 30.000 30.000 28.376 1.624 18989 730 1 1 . 1 1 159 159 HIS N N 159 125.200 125.200 118.142 7.058 18989 731 1 1 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.406 0.034 18989 732 1 1 . 1 1 159 159 HIS CA C 159 57.300 57.300 55.773 1.527 18989 733 1 1 . 1 1 159 159 HIS CB C 159 28.800 28.800 30.354 -1.554 18989 734 1 2 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.629 -0.229 18989 735 1 2 . 1 1 2 2 PRO CA C 2 62.400 62.400 62.867 -0.467 18989 736 1 2 . 1 1 2 2 PRO CB C 2 32.800 32.800 31.051 1.749 18989 737 1 2 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.195 0.285 18989 738 1 2 . 1 1 3 3 LYS C C 3 176.600 176.600 176.407 0.193 18989 739 1 2 . 1 1 3 3 LYS CA C 3 55.900 55.900 57.564 -1.664 18989 740 1 2 . 1 1 3 3 LYS CB C 3 34.200 34.200 33.597 0.603 18989 741 1 2 . 1 1 4 4 SER N N 4 117.800 117.800 112.766 5.034 18989 742 1 2 . 1 1 4 4 SER HA H 4 4.220 4.220 4.439 -0.219 18989 743 1 2 . 1 1 4 4 SER C C 4 174.100 174.100 172.838 1.262 18989 744 1 2 . 1 1 4 4 SER CA C 4 59.700 59.700 57.962 1.738 18989 745 1 2 . 1 1 4 4 SER CB C 4 63.700 63.700 63.665 0.035 18989 746 1 2 . 1 1 5 5 LEU N N 5 124.700 124.700 128.746 -4.046 18989 747 1 2 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.571 0.229 18989 748 1 2 . 1 1 5 5 LEU C C 5 175.500 175.500 174.749 0.751 18989 749 1 2 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.100 -0.100 18989 750 1 2 . 1 1 5 5 LEU CB C 5 43.200 43.200 39.343 3.857 18989 751 1 2 . 1 1 6 6 THR N N 6 111.200 111.200 117.457 -6.257 18989 752 1 2 . 1 1 6 6 THR HA H 6 5.620 5.620 4.303 1.317 18989 753 1 2 . 1 1 6 6 THR C C 6 174.500 174.500 172.862 1.638 18989 754 1 2 . 1 1 6 6 THR CA C 6 59.700 59.700 61.007 -1.307 18989 755 1 2 . 1 1 6 6 THR CB C 6 73.000 73.000 70.837 2.163 18989 756 1 2 . 1 1 7 7 PHE N N 7 120.700 120.700 126.798 -6.098 18989 757 1 2 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.901 -0.151 18989 758 1 2 . 1 1 7 7 PHE C C 7 172.100 172.100 173.019 -0.919 18989 759 1 2 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.870 1.430 18989 760 1 2 . 1 1 7 7 PHE CB C 7 43.500 43.500 42.953 0.547 18989 761 1 2 . 1 1 8 8 GLU N N 8 122.100 122.100 122.602 -0.502 18989 762 1 2 . 1 1 8 8 GLU HA H 8 5.380 5.380 4.913 0.467 18989 763 1 2 . 1 1 8 8 GLU C C 8 172.500 172.500 173.971 -1.471 18989 764 1 2 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.435 0.065 18989 765 1 2 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.618 -0.118 18989 766 1 2 . 1 1 9 9 ASP N N 9 117.400 117.400 119.607 -2.207 18989 767 1 2 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.767 0.053 18989 768 1 2 . 1 1 9 9 ASP C C 9 173.500 173.500 173.785 -0.285 18989 769 1 2 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.249 -0.149 18989 770 1 2 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.143 0.957 18989 771 1 2 . 1 1 10 10 SER N N 10 113.600 113.600 115.733 -2.133 18989 772 1 2 . 1 1 10 10 SER HA H 10 5.990 5.990 5.687 0.303 18989 773 1 2 . 1 1 10 10 SER C C 10 172.600 172.600 173.142 -0.542 18989 774 1 2 . 1 1 10 10 SER CA C 10 57.300 57.300 56.820 0.480 18989 775 1 2 . 1 1 10 10 SER CB C 10 68.100 68.100 66.656 1.444 18989 776 1 2 . 1 1 11 11 ILE N N 11 122.700 122.700 120.681 2.019 18989 777 1 2 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.405 0.115 18989 778 1 2 . 1 1 11 11 ILE C C 11 171.300 171.300 173.592 -2.292 18989 779 1 2 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.925 0.076 18989 780 1 2 . 1 1 11 11 ILE CB C 11 43.400 43.400 41.911 1.489 18989 781 1 2 . 1 1 12 12 ASN N N 12 124.600 124.600 126.930 -2.330 18989 782 1 2 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.929 0.351 18989 783 1 2 . 1 1 12 12 ASN C C 12 174.700 174.700 174.864 -0.164 18989 784 1 2 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.472 -0.172 18989 785 1 2 . 1 1 12 12 ASN CB C 12 38.600 38.600 37.737 0.863 18989 786 1 2 . 1 1 13 13 ILE N N 13 122.900 122.900 126.223 -3.323 18989 787 1 2 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.431 0.019 18989 788 1 2 . 1 1 13 13 ILE C C 13 175.300 175.300 175.947 -0.647 18989 789 1 2 . 1 1 13 13 ILE CA C 13 60.300 60.300 61.109 -0.810 18989 790 1 2 . 1 1 13 13 ILE CB C 13 41.600 41.600 38.684 2.916 18989 791 1 2 . 1 1 14 14 ALA N N 14 136.600 136.600 132.057 4.543 18989 792 1 2 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.320 0.380 18989 793 1 2 . 1 1 14 14 ALA C C 14 175.100 175.100 176.165 -1.065 18989 794 1 2 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.768 -0.768 18989 795 1 2 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.486 -1.186 18989 796 1 2 . 1 1 15 15 ALA N N 15 122.100 122.100 125.923 -3.823 18989 797 1 2 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.771 -0.011 18989 798 1 2 . 1 1 15 15 ALA CA C 15 50.000 50.000 50.304 -0.304 18989 799 1 2 . 1 1 15 15 ALA CB C 15 21.100 21.100 19.771 1.329 18989 800 1 2 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.601 0.009 18989 801 1 2 . 1 1 16 16 PRO C C 16 179.200 179.200 177.642 1.558 18989 802 1 2 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.869 -0.769 18989 803 1 2 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.878 0.222 18989 804 1 2 . 1 1 17 17 ILE N N 17 124.400 124.400 122.840 1.560 18989 805 1 2 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.680 0.310 18989 806 1 2 . 1 1 17 17 ILE C C 17 175.800 175.800 176.789 -0.989 18989 807 1 2 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.828 0.872 18989 808 1 2 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.228 0.471 18989 809 1 2 . 1 1 18 18 ASN N N 18 117.200 117.200 116.584 0.616 18989 810 1 2 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.347 0.343 18989 811 1 2 . 1 1 18 18 ASN C C 18 178.700 178.700 177.408 1.292 18989 812 1 2 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.292 -0.492 18989 813 1 2 . 1 1 18 18 ASN CB C 18 37.100 37.100 38.180 -1.080 18989 814 1 2 . 1 1 19 19 GLN N N 19 120.300 120.300 120.051 0.249 18989 815 1 2 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.111 0.009 18989 816 1 2 . 1 1 19 19 GLN C C 19 178.500 178.500 178.054 0.446 18989 817 1 2 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.455 -0.155 18989 818 1 2 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.366 -0.066 18989 819 1 2 . 1 1 20 20 VAL N N 20 120.300 120.300 120.107 0.193 18989 820 1 2 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.581 -0.131 18989 821 1 2 . 1 1 20 20 VAL C C 20 177.500 177.500 177.966 -0.466 18989 822 1 2 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.695 -0.495 18989 823 1 2 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.738 -0.838 18989 824 1 2 . 1 1 21 21 TYR N N 21 118.800 118.800 120.074 -1.274 18989 825 1 2 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.063 -0.483 18989 826 1 2 . 1 1 21 21 TYR C C 21 177.800 177.800 176.676 1.124 18989 827 1 2 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.494 1.406 18989 828 1 2 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.243 0.157 18989 829 1 2 . 1 1 22 22 ALA N N 22 120.400 120.400 122.414 -2.014 18989 830 1 2 . 1 1 22 22 ALA HA H 22 3.760 3.760 4.050 -0.290 18989 831 1 2 . 1 1 22 22 ALA C C 22 178.000 178.000 179.193 -1.193 18989 832 1 2 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.457 0.243 18989 833 1 2 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.488 0.012 18989 834 1 2 . 1 1 23 23 LEU N N 23 116.400 116.400 117.165 -0.765 18989 835 1 2 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.178 0.052 18989 836 1 2 . 1 1 23 23 LEU C C 23 177.200 177.200 178.718 -1.518 18989 837 1 2 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.008 1.992 18989 838 1 2 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.107 1.293 18989 839 1 2 . 1 1 24 24 VAL N N 24 128.600 128.600 116.999 11.601 18989 840 1 2 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.660 -0.300 18989 841 1 2 . 1 1 24 24 VAL C C 24 175.200 175.200 176.164 -0.964 18989 842 1 2 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.876 -0.576 18989 843 1 2 . 1 1 24 24 VAL CB C 24 30.800 30.800 32.086 -1.286 18989 844 1 2 . 1 1 25 25 SER N N 25 108.500 108.500 114.843 -6.343 18989 845 1 2 . 1 1 25 25 SER HA H 25 2.520 2.520 4.198 -1.678 18989 846 1 2 . 1 1 25 25 SER CA C 25 58.200 58.200 57.531 0.669 18989 847 1 2 . 1 1 25 25 SER CB C 25 63.600 63.600 62.630 0.970 18989 848 1 2 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.791 0.119 18989 849 1 2 . 1 1 26 26 ASP C C 26 175.500 175.500 175.120 0.380 18989 850 1 2 . 1 1 26 26 ASP CA C 26 51.200 51.200 54.297 -3.097 18989 851 1 2 . 1 1 26 26 ASP CB C 26 38.100 38.100 43.317 -5.217 18989 852 1 2 . 1 1 27 27 ILE N N 27 123.500 123.500 118.131 5.369 18989 853 1 2 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.770 -1.380 18989 854 1 2 . 1 1 27 27 ILE C C 27 178.900 178.900 176.721 2.179 18989 855 1 2 . 1 1 27 27 ILE CA C 27 61.700 61.700 61.239 0.461 18989 856 1 2 . 1 1 27 27 ILE CB C 27 36.600 36.600 40.106 -3.506 18989 857 1 2 . 1 1 28 28 THR N N 28 112.500 112.500 115.248 -2.748 18989 858 1 2 . 1 1 28 28 THR HA H 28 4.350 4.350 4.132 0.218 18989 859 1 2 . 1 1 28 28 THR C C 28 176.500 176.500 174.988 1.512 18989 860 1 2 . 1 1 28 28 THR CA C 28 64.000 64.000 62.906 1.094 18989 861 1 2 . 1 1 28 28 THR CB C 28 68.600 68.600 70.037 -1.437 18989 862 1 2 . 1 1 29 29 ARG N N 29 121.100 121.100 120.067 1.033 18989 863 1 2 . 1 1 29 29 ARG HA H 29 4.280 4.280 3.941 0.339 18989 864 1 2 . 1 1 29 29 ARG CA C 29 56.200 56.200 56.432 -0.232 18989 865 1 2 . 1 1 29 29 ARG CB C 29 30.600 30.600 29.527 1.073 18989 866 1 2 . 1 1 30 30 THR HA H 30 5.870 5.870 4.295 1.575 18989 867 1 2 . 1 1 30 30 THR C C 30 174.000 174.000 175.714 -1.714 18989 868 1 2 . 1 1 30 30 THR CA C 30 66.000 66.000 62.338 3.662 18989 869 1 2 . 1 1 30 30 THR CB C 30 69.400 69.400 69.219 0.181 18989 870 1 2 . 1 1 31 31 GLY N N 31 106.200 106.200 110.124 -3.924 18989 871 1 2 . 1 1 31 31 GLY C C 31 175.200 175.200 174.925 0.275 18989 872 1 2 . 1 1 31 31 GLY CA C 31 46.200 46.200 46.107 0.093 18989 873 1 2 . 1 1 32 32 GLU N N 32 118.400 118.400 120.353 -1.953 18989 874 1 2 . 1 1 32 32 GLU HA H 32 3.970 3.970 3.708 0.262 18989 875 1 2 . 1 1 32 32 GLU C C 32 177.500 177.500 177.306 0.194 18989 876 1 2 . 1 1 32 32 GLU CA C 32 58.800 58.800 58.562 0.238 18989 877 1 2 . 1 1 32 32 GLU CB C 32 29.800 29.800 27.679 2.121 18989 878 1 2 . 1 1 33 33 TRP N N 33 113.200 113.200 121.921 -8.721 18989 879 1 2 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.632 0.308 18989 880 1 2 . 1 1 33 33 TRP C C 33 175.300 175.300 176.886 -1.586 18989 881 1 2 . 1 1 33 33 TRP CA C 33 56.400 56.400 57.494 -1.094 18989 882 1 2 . 1 1 33 33 TRP CB C 33 30.600 30.600 30.368 0.232 18989 883 1 2 . 1 1 34 34 SER N N 34 118.600 118.600 113.422 5.178 18989 884 1 2 . 1 1 34 34 SER HA H 34 4.930 4.930 4.843 0.087 18989 885 1 2 . 1 1 34 34 SER CA C 34 54.700 54.700 56.614 -1.914 18989 886 1 2 . 1 1 34 34 SER CB C 34 63.000 63.000 65.041 -2.041 18989 887 1 2 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.640 -0.180 18989 888 1 2 . 1 1 35 35 PRO C C 35 177.100 177.100 176.358 0.742 18989 889 1 2 . 1 1 35 35 PRO CA C 35 64.500 64.500 62.537 1.963 18989 890 1 2 . 1 1 35 35 PRO CB C 35 32.300 32.300 29.968 2.332 18989 891 1 2 . 1 1 36 36 VAL N N 36 113.900 113.900 114.055 -0.155 18989 892 1 2 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.395 -0.295 18989 893 1 2 . 1 1 36 36 VAL C C 36 174.200 174.200 176.387 -2.187 18989 894 1 2 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.788 0.112 18989 895 1 2 . 1 1 36 36 VAL CB C 36 32.500 32.500 32.039 0.461 18989 896 1 2 . 1 1 37 37 CYS N N 37 121.000 121.000 120.324 0.676 18989 897 1 2 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.549 -0.089 18989 898 1 2 . 1 1 37 37 CYS C C 37 173.600 173.600 175.071 -1.471 18989 899 1 2 . 1 1 37 37 CYS CA C 37 58.500 58.500 58.507 -0.007 18989 900 1 2 . 1 1 37 37 CYS CB C 37 27.000 27.000 27.808 -0.808 18989 901 1 2 . 1 1 38 38 GLU N N 38 129.300 129.300 129.386 -0.086 18989 902 1 2 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.241 -0.101 18989 903 1 2 . 1 1 38 38 GLU C C 38 176.500 176.500 176.372 0.128 18989 904 1 2 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.377 -0.477 18989 905 1 2 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.561 1.238 18989 906 1 2 . 1 1 39 39 LYS N N 39 117.100 117.100 118.626 -1.526 18989 907 1 2 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.489 -0.019 18989 908 1 2 . 1 1 39 39 LYS C C 39 173.600 173.600 174.061 -0.461 18989 909 1 2 . 1 1 39 39 LYS CA C 39 55.800 55.800 56.703 -0.903 18989 910 1 2 . 1 1 39 39 LYS CB C 39 36.500 36.500 34.561 1.939 18989 911 1 2 . 1 1 40 40 CYS N N 40 125.100 125.100 126.103 -1.003 18989 912 1 2 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.380 0.030 18989 913 1 2 . 1 1 40 40 CYS C C 40 173.000 173.000 173.676 -0.676 18989 914 1 2 . 1 1 40 40 CYS CA C 40 57.100 57.100 56.749 0.351 18989 915 1 2 . 1 1 40 40 CYS CB C 40 30.100 30.100 30.539 -0.439 18989 916 1 2 . 1 1 41 41 TRP N N 41 124.300 124.300 130.474 -6.174 18989 917 1 2 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.938 -0.108 18989 918 1 2 . 1 1 41 41 TRP C C 41 174.100 174.100 174.778 -0.678 18989 919 1 2 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.205 0.095 18989 920 1 2 . 1 1 41 41 TRP CB C 41 32.400 32.400 31.427 0.973 18989 921 1 2 . 1 1 42 42 TRP N N 42 123.700 123.700 130.150 -6.450 18989 922 1 2 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.466 0.364 18989 923 1 2 . 1 1 42 42 TRP C C 42 178.200 178.200 176.620 1.580 18989 924 1 2 . 1 1 42 42 TRP CA C 42 57.000 57.000 55.751 1.249 18989 925 1 2 . 1 1 42 42 TRP CB C 42 31.600 31.600 30.276 1.324 18989 926 1 2 . 1 1 43 43 ASP N N 43 124.400 124.400 126.235 -1.835 18989 927 1 2 . 1 1 43 43 ASP HA H 43 4.680 4.680 3.994 0.686 18989 928 1 2 . 1 1 43 43 ASP C C 43 176.300 176.300 177.162 -0.862 18989 929 1 2 . 1 1 43 43 ASP CA C 43 56.300 56.300 56.636 -0.336 18989 930 1 2 . 1 1 43 43 ASP CB C 43 40.300 40.300 39.383 0.917 18989 931 1 2 . 1 1 44 44 GLU N N 44 119.400 119.400 119.825 -0.425 18989 932 1 2 . 1 1 44 44 GLU HA H 44 4.270 4.270 3.773 0.497 18989 933 1 2 . 1 1 44 44 GLU C C 44 176.500 176.500 177.202 -0.702 18989 934 1 2 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.064 -0.464 18989 935 1 2 . 1 1 44 44 GLU CB C 44 30.200 30.200 28.520 1.679 18989 936 1 2 . 1 1 45 45 ASP N N 45 118.300 118.300 118.563 -0.263 18989 937 1 2 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.293 0.187 18989 938 1 2 . 1 1 45 45 ASP C C 45 175.900 175.900 177.511 -1.611 18989 939 1 2 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.189 -0.189 18989 940 1 2 . 1 1 45 45 ASP CB C 45 40.200 40.200 41.080 -0.880 18989 941 1 2 . 1 1 46 46 GLU N N 46 118.200 118.200 116.739 1.461 18989 942 1 2 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.436 0.024 18989 943 1 2 . 1 1 46 46 GLU C C 46 175.200 175.200 176.626 -1.426 18989 944 1 2 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.321 0.279 18989 945 1 2 . 1 1 46 46 GLU CB C 46 30.800 30.800 31.431 -0.631 18989 946 1 2 . 1 1 47 47 GLY N N 47 106.400 106.400 110.014 -3.614 18989 947 1 2 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.216 -0.616 18989 948 1 2 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.672 -0.082 18989 949 1 2 . 1 1 48 48 PRO C C 48 173.400 173.400 175.904 -2.504 18989 950 1 2 . 1 1 48 48 PRO CA C 48 63.100 63.100 63.233 -0.133 18989 951 1 2 . 1 1 48 48 PRO CB C 48 29.100 29.100 30.152 -1.052 18989 952 1 2 . 1 1 49 49 VAL N N 49 121.900 121.900 115.998 5.902 18989 953 1 2 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.796 -0.186 18989 954 1 2 . 1 1 49 49 VAL C C 49 175.100 175.100 174.888 0.212 18989 955 1 2 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.848 0.452 18989 956 1 2 . 1 1 49 49 VAL CB C 49 35.500 35.500 35.553 -0.053 18989 957 1 2 . 1 1 50 50 VAL N N 50 121.700 121.700 121.760 -0.060 18989 958 1 2 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.760 -0.460 18989 959 1 2 . 1 1 50 50 VAL C C 50 177.400 177.400 176.930 0.470 18989 960 1 2 . 1 1 50 50 VAL CA C 50 66.200 66.200 64.454 1.746 18989 961 1 2 . 1 1 50 50 VAL CB C 50 31.300 31.300 30.376 0.924 18989 962 1 2 . 1 1 51 51 GLY N N 51 115.800 115.800 115.440 0.360 18989 963 1 2 . 1 1 51 51 GLY C C 51 174.200 174.200 173.450 0.750 18989 964 1 2 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.746 -0.146 18989 965 1 2 . 1 1 52 52 ALA N N 52 123.000 123.000 123.979 -0.979 18989 966 1 2 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.397 0.153 18989 967 1 2 . 1 1 52 52 ALA C C 52 177.300 177.300 176.843 0.457 18989 968 1 2 . 1 1 52 52 ALA CA C 52 52.800 52.800 52.501 0.299 18989 969 1 2 . 1 1 52 52 ALA CB C 52 23.100 23.100 19.884 3.216 18989 970 1 2 . 1 1 53 53 HIS N N 53 115.900 115.900 124.399 -8.499 18989 971 1 2 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.486 0.534 18989 972 1 2 . 1 1 53 53 HIS C C 53 174.200 174.200 175.189 -0.989 18989 973 1 2 . 1 1 53 53 HIS CA C 53 55.200 55.200 55.357 -0.157 18989 974 1 2 . 1 1 53 53 HIS CB C 53 32.100 32.100 30.799 1.300 18989 975 1 2 . 1 1 54 54 PHE N N 54 115.800 115.800 126.163 -10.363 18989 976 1 2 . 1 1 54 54 PHE HA H 54 5.150 5.150 4.930 0.220 18989 977 1 2 . 1 1 54 54 PHE C C 54 172.600 172.600 175.842 -3.242 18989 978 1 2 . 1 1 54 54 PHE CA C 54 55.500 55.500 56.273 -0.773 18989 979 1 2 . 1 1 54 54 PHE CB C 54 41.700 41.700 39.115 2.585 18989 980 1 2 . 1 1 55 55 THR N N 55 118.300 118.300 122.271 -3.971 18989 981 1 2 . 1 1 55 55 THR HA H 55 4.770 4.770 5.029 -0.259 18989 982 1 2 . 1 1 55 55 THR C C 55 171.800 171.800 173.768 -1.968 18989 983 1 2 . 1 1 55 55 THR CA C 55 61.000 61.000 62.338 -1.338 18989 984 1 2 . 1 1 55 55 THR CB C 55 70.200 70.200 69.262 0.938 18989 985 1 2 . 1 1 56 56 GLY N N 56 110.500 110.500 114.206 -3.706 18989 986 1 2 . 1 1 56 56 GLY C C 56 171.100 171.100 172.379 -1.279 18989 987 1 2 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.896 -0.596 18989 988 1 2 . 1 1 57 57 ARG N N 57 123.800 123.800 126.713 -2.913 18989 989 1 2 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.577 0.083 18989 990 1 2 . 1 1 57 57 ARG C C 57 172.900 172.900 174.749 -1.849 18989 991 1 2 . 1 1 57 57 ARG CA C 57 55.300 55.300 53.825 1.475 18989 992 1 2 . 1 1 57 57 ARG CB C 57 32.500 32.500 31.199 1.301 18989 993 1 2 . 1 1 58 58 ASN N N 58 127.200 127.200 124.551 2.649 18989 994 1 2 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.365 -0.305 18989 995 1 2 . 1 1 58 58 ASN C C 58 173.100 173.100 173.906 -0.806 18989 996 1 2 . 1 1 58 58 ASN CA C 58 51.900 51.900 52.720 -0.820 18989 997 1 2 . 1 1 58 58 ASN CB C 58 38.800 38.800 41.094 -2.294 18989 998 1 2 . 1 1 59 59 VAL N N 59 121.400 121.400 125.253 -3.853 18989 999 1 2 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.546 0.134 18989 1000 1 2 . 1 1 59 59 VAL C C 59 175.100 175.100 173.615 1.485 18989 1001 1 2 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.403 1.998 18989 1002 1 2 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.015 1.785 18989 1003 1 2 . 1 1 60 60 THR N N 60 118.000 118.000 120.490 -2.490 18989 1004 1 2 . 1 1 60 60 THR HA H 60 5.000 5.000 5.005 -0.005 18989 1005 1 2 . 1 1 60 60 THR CA C 60 58.900 58.900 58.444 0.456 18989 1006 1 2 . 1 1 60 60 THR CB C 60 70.200 70.200 70.369 -0.169 18989 1007 1 2 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.479 -0.199 18989 1008 1 2 . 1 1 61 61 PRO C C 61 177.700 177.700 176.878 0.822 18989 1009 1 2 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.510 0.990 18989 1010 1 2 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.751 0.049 18989 1011 1 2 . 1 1 62 62 GLU N N 62 111.700 111.700 118.232 -6.532 18989 1012 1 2 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.338 -0.058 18989 1013 1 2 . 1 1 62 62 GLU C C 62 176.500 176.500 176.614 -0.114 18989 1014 1 2 . 1 1 62 62 GLU CA C 62 57.600 57.600 56.340 1.260 18989 1015 1 2 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.623 0.377 18989 1016 1 2 . 1 1 63 63 ARG N N 63 118.000 118.000 120.676 -2.676 18989 1017 1 2 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.688 0.002 18989 1018 1 2 . 1 1 63 63 ARG C C 63 174.000 174.000 174.398 -0.398 18989 1019 1 2 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.618 1.082 18989 1020 1 2 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.473 0.227 18989 1021 1 2 . 1 1 64 64 THR N N 64 120.700 120.700 115.419 5.281 18989 1022 1 2 . 1 1 64 64 THR HA H 64 5.780 5.780 4.833 0.947 18989 1023 1 2 . 1 1 64 64 THR C C 64 174.000 174.000 173.628 0.372 18989 1024 1 2 . 1 1 64 64 THR CA C 64 61.600 61.600 61.123 0.477 18989 1025 1 2 . 1 1 64 64 THR CB C 64 71.700 71.700 70.040 1.660 18989 1026 1 2 . 1 1 65 65 TRP N N 65 128.000 128.000 128.044 -0.044 18989 1027 1 2 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.961 0.209 18989 1028 1 2 . 1 1 65 65 TRP C C 65 172.800 172.800 173.367 -0.567 18989 1029 1 2 . 1 1 65 65 TRP CA C 65 57.300 57.300 56.978 0.322 18989 1030 1 2 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.304 -0.404 18989 1031 1 2 . 1 1 66 66 GLU N N 66 120.800 120.800 127.072 -6.272 18989 1032 1 2 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.487 1.103 18989 1033 1 2 . 1 1 66 66 GLU C C 66 177.300 177.300 175.181 2.119 18989 1034 1 2 . 1 1 66 66 GLU CA C 66 54.200 54.200 54.720 -0.520 18989 1035 1 2 . 1 1 66 66 GLU CB C 66 32.700 32.700 31.979 0.721 18989 1036 1 2 . 1 1 67 67 THR N N 67 113.700 113.700 117.298 -3.598 18989 1037 1 2 . 1 1 67 67 THR HA H 67 4.750 4.750 4.732 0.018 18989 1038 1 2 . 1 1 67 67 THR C C 67 173.300 173.300 173.344 -0.044 18989 1039 1 2 . 1 1 67 67 THR CA C 67 59.500 59.500 61.003 -1.503 18989 1040 1 2 . 1 1 67 67 THR CB C 67 71.500 71.500 71.561 -0.061 18989 1041 1 2 . 1 1 68 68 ARG N N 68 125.300 125.300 126.380 -1.080 18989 1042 1 2 . 1 1 68 68 ARG HA H 68 4.860 4.860 5.248 -0.388 18989 1043 1 2 . 1 1 68 68 ARG C C 68 175.700 175.700 175.525 0.175 18989 1044 1 2 . 1 1 68 68 ARG CA C 68 55.000 55.000 55.209 -0.209 18989 1045 1 2 . 1 1 68 68 ARG CB C 68 31.700 31.700 32.637 -0.937 18989 1046 1 2 . 1 1 69 69 SER N N 69 122.000 122.000 118.514 3.486 18989 1047 1 2 . 1 1 69 69 SER HA H 69 5.570 5.570 5.394 0.176 18989 1048 1 2 . 1 1 69 69 SER C C 69 172.200 172.200 173.512 -1.312 18989 1049 1 2 . 1 1 69 69 SER CA C 69 58.000 58.000 57.188 0.812 18989 1050 1 2 . 1 1 69 69 SER CB C 69 66.700 66.700 66.813 -0.113 18989 1051 1 2 . 1 1 70 70 GLU N N 70 121.900 121.900 121.338 0.562 18989 1052 1 2 . 1 1 70 70 GLU HA H 70 5.200 5.200 5.192 0.008 18989 1053 1 2 . 1 1 70 70 GLU C C 70 176.000 176.000 175.008 0.992 18989 1054 1 2 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.979 -1.379 18989 1055 1 2 . 1 1 70 70 GLU CB C 70 34.700 34.700 34.364 0.336 18989 1056 1 2 . 1 1 71 71 VAL N N 71 126.600 126.600 125.095 1.505 18989 1057 1 2 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.094 0.156 18989 1058 1 2 . 1 1 71 71 VAL C C 71 177.600 177.600 176.764 0.836 18989 1059 1 2 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.760 1.040 18989 1060 1 2 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.855 0.346 18989 1061 1 2 . 1 1 72 72 ILE N N 72 123.200 123.200 124.954 -1.754 18989 1062 1 2 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.367 0.363 18989 1063 1 2 . 1 1 72 72 ILE C C 72 175.200 175.200 175.574 -0.374 18989 1064 1 2 . 1 1 72 72 ILE CA C 72 62.000 62.000 61.614 0.386 18989 1065 1 2 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.977 0.623 18989 1066 1 2 . 1 1 73 73 VAL N N 73 121.700 121.700 121.652 0.048 18989 1067 1 2 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.309 -0.109 18989 1068 1 2 . 1 1 73 73 VAL C C 73 172.000 172.000 173.211 -1.211 18989 1069 1 2 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.896 0.204 18989 1070 1 2 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.279 -0.579 18989 1071 1 2 . 1 1 74 74 ALA N N 74 131.100 131.100 130.310 0.790 18989 1072 1 2 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.296 0.024 18989 1073 1 2 . 1 1 74 74 ALA C C 74 174.900 174.900 176.452 -1.552 18989 1074 1 2 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.142 1.558 18989 1075 1 2 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.530 -2.230 18989 1076 1 2 . 1 1 75 75 GLU N N 75 126.100 126.100 124.867 1.233 18989 1077 1 2 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.678 0.292 18989 1078 1 2 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.599 -0.499 18989 1079 1 2 . 1 1 75 75 GLU CB C 75 31.300 31.300 29.968 1.332 18989 1080 1 2 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.223 -1.603 18989 1081 1 2 . 1 1 76 76 PRO CA C 76 63.900 63.900 64.199 -0.299 18989 1082 1 2 . 1 1 76 76 PRO CB C 76 31.900 31.900 30.487 1.413 18989 1083 1 2 . 1 1 77 77 ASN HA H 77 3.760 3.760 3.466 0.294 18989 1084 1 2 . 1 1 77 77 ASN C C 77 172.700 172.700 175.463 -2.763 18989 1085 1 2 . 1 1 77 77 ASN CA C 77 55.100 55.100 54.855 0.245 18989 1086 1 2 . 1 1 77 77 ASN CB C 77 36.900 36.900 36.413 0.487 18989 1087 1 2 . 1 1 78 78 ARG N N 78 115.300 115.300 118.163 -2.863 18989 1088 1 2 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.426 0.474 18989 1089 1 2 . 1 1 78 78 ARG C C 78 176.000 176.000 174.832 1.168 18989 1090 1 2 . 1 1 78 78 ARG CA C 78 58.300 58.300 56.937 1.363 18989 1091 1 2 . 1 1 78 78 ARG CB C 78 34.000 34.000 32.048 1.952 18989 1092 1 2 . 1 1 79 79 CYS N N 79 117.700 117.700 116.432 1.268 18989 1093 1 2 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.187 0.483 18989 1094 1 2 . 1 1 79 79 CYS C C 79 172.200 172.200 172.753 -0.553 18989 1095 1 2 . 1 1 79 79 CYS CA C 79 58.200 58.200 57.831 0.369 18989 1096 1 2 . 1 1 79 79 CYS CB C 79 29.500 29.500 29.371 0.129 18989 1097 1 2 . 1 1 80 80 PHE N N 80 129.500 129.500 129.425 0.075 18989 1098 1 2 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.217 0.303 18989 1099 1 2 . 1 1 80 80 PHE C C 80 173.400 173.400 173.488 -0.088 18989 1100 1 2 . 1 1 80 80 PHE CA C 80 57.900 57.900 55.996 1.904 18989 1101 1 2 . 1 1 80 80 PHE CB C 80 43.800 43.800 43.122 0.678 18989 1102 1 2 . 1 1 81 81 GLY N N 81 114.500 114.500 114.440 0.060 18989 1103 1 2 . 1 1 81 81 GLY C C 81 171.900 171.900 171.965 -0.065 18989 1104 1 2 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.978 1.622 18989 1105 1 2 . 1 1 82 82 TRP N N 82 121.700 121.700 123.280 -1.580 18989 1106 1 2 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.403 0.387 18989 1107 1 2 . 1 1 82 82 TRP C C 82 171.500 171.500 173.467 -1.967 18989 1108 1 2 . 1 1 82 82 TRP CA C 82 57.400 57.400 53.006 4.394 18989 1109 1 2 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.005 1.895 18989 1110 1 2 . 1 1 83 83 SER N N 83 113.600 113.600 114.273 -0.673 18989 1111 1 2 . 1 1 83 83 SER HA H 83 5.680 5.680 4.888 0.792 18989 1112 1 2 . 1 1 83 83 SER C C 83 174.500 174.500 173.753 0.747 18989 1113 1 2 . 1 1 83 83 SER CA C 83 54.800 54.800 56.907 -2.107 18989 1114 1 2 . 1 1 83 83 SER CB C 83 66.700 66.700 65.284 1.416 18989 1115 1 2 . 1 1 84 84 VAL N N 84 125.400 125.400 126.865 -1.465 18989 1116 1 2 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.049 0.801 18989 1117 1 2 . 1 1 84 84 VAL C C 84 176.500 176.500 175.740 0.760 18989 1118 1 2 . 1 1 84 84 VAL CA C 84 61.400 61.400 62.625 -1.225 18989 1119 1 2 . 1 1 84 84 VAL CB C 84 34.600 34.600 31.495 3.105 18989 1120 1 2 . 1 1 85 85 THR N N 85 120.300 120.300 119.567 0.733 18989 1121 1 2 . 1 1 85 85 THR HA H 85 3.720 3.720 4.168 -0.448 18989 1122 1 2 . 1 1 85 85 THR C C 85 173.500 173.500 174.003 -0.503 18989 1123 1 2 . 1 1 85 85 THR CA C 85 62.900 62.900 63.712 -0.812 18989 1124 1 2 . 1 1 85 85 THR CB C 85 66.600 66.600 69.155 -2.555 18989 1125 1 2 . 1 1 86 86 ASP N N 86 119.000 119.000 119.772 -0.772 18989 1126 1 2 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.310 -0.090 18989 1127 1 2 . 1 1 86 86 ASP C C 86 177.100 177.100 177.020 0.080 18989 1128 1 2 . 1 1 86 86 ASP CA C 86 54.700 54.700 54.685 0.015 18989 1129 1 2 . 1 1 86 86 ASP CB C 86 39.700 39.700 39.133 0.567 18989 1130 1 2 . 1 1 87 87 GLY N N 87 103.400 103.400 112.608 -9.208 18989 1131 1 2 . 1 1 87 87 GLY C C 87 175.000 175.000 173.852 1.148 18989 1132 1 2 . 1 1 87 87 GLY CA C 87 45.600 45.600 45.910 -0.310 18989 1133 1 2 . 1 1 88 88 ASN N N 88 122.300 122.300 117.823 4.477 18989 1134 1 2 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.378 -0.268 18989 1135 1 2 . 1 1 88 88 ASN C C 88 174.500 174.500 173.947 0.553 18989 1136 1 2 . 1 1 88 88 ASN CA C 88 55.600 55.600 54.402 1.198 18989 1137 1 2 . 1 1 88 88 ASN CB C 88 38.200 38.200 40.088 -1.888 18989 1138 1 2 . 1 1 89 89 VAL N N 89 115.700 115.700 119.810 -4.110 18989 1139 1 2 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.021 0.809 18989 1140 1 2 . 1 1 89 89 VAL C C 89 174.700 174.700 174.545 0.155 18989 1141 1 2 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.950 -2.350 18989 1142 1 2 . 1 1 89 89 VAL CB C 89 37.000 37.000 32.400 4.600 18989 1143 1 2 . 1 1 90 90 LYS N N 90 123.600 123.600 125.153 -1.553 18989 1144 1 2 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.700 0.310 18989 1145 1 2 . 1 1 90 90 LYS C C 90 174.100 174.100 175.007 -0.907 18989 1146 1 2 . 1 1 90 90 LYS CA C 90 54.900 54.900 54.631 0.269 18989 1147 1 2 . 1 1 90 90 LYS CB C 90 36.300 36.300 34.888 1.412 18989 1148 1 2 . 1 1 91 91 TRP N N 91 124.600 124.600 124.275 0.325 18989 1149 1 2 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.900 0.200 18989 1150 1 2 . 1 1 91 91 TRP C C 91 174.600 174.600 174.578 0.022 18989 1151 1 2 . 1 1 91 91 TRP CA C 91 54.900 54.900 56.076 -1.176 18989 1152 1 2 . 1 1 91 91 TRP CB C 91 30.800 30.800 31.019 -0.219 18989 1153 1 2 . 1 1 92 92 ILE N N 92 118.000 118.000 123.523 -5.523 18989 1154 1 2 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.296 0.264 18989 1155 1 2 . 1 1 92 92 ILE C C 92 176.300 176.300 174.556 1.744 18989 1156 1 2 . 1 1 92 92 ILE CA C 92 60.800 60.800 60.160 0.640 18989 1157 1 2 . 1 1 92 92 ILE CB C 92 42.100 42.100 38.770 3.330 18989 1158 1 2 . 1 1 93 93 TYR N N 93 127.700 127.700 128.608 -0.908 18989 1159 1 2 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.342 0.508 18989 1160 1 2 . 1 1 93 93 TYR C C 93 175.300 175.300 175.333 -0.033 18989 1161 1 2 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.434 0.666 18989 1162 1 2 . 1 1 93 93 TYR CB C 93 40.800 40.800 39.203 1.597 18989 1163 1 2 . 1 1 94 94 SER N N 94 117.900 117.900 118.574 -0.674 18989 1164 1 2 . 1 1 94 94 SER HA H 94 5.510 5.510 4.871 0.639 18989 1165 1 2 . 1 1 94 94 SER C C 94 172.700 172.700 173.414 -0.714 18989 1166 1 2 . 1 1 94 94 SER CA C 94 57.300 57.300 57.201 0.099 18989 1167 1 2 . 1 1 94 94 SER CB C 94 65.600 65.600 64.267 1.333 18989 1168 1 2 . 1 1 95 95 MET N N 95 119.600 119.600 127.576 -7.976 18989 1169 1 2 . 1 1 95 95 MET HA H 95 5.840 5.840 4.974 0.866 18989 1170 1 2 . 1 1 95 95 MET C C 95 173.800 173.800 175.545 -1.745 18989 1171 1 2 . 1 1 95 95 MET CA C 95 54.200 54.200 53.964 0.236 18989 1172 1 2 . 1 1 95 95 MET CB C 95 37.400 37.400 34.318 3.082 18989 1173 1 2 . 1 1 96 96 GLU N N 96 119.100 119.100 124.580 -5.480 18989 1174 1 2 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.849 0.121 18989 1175 1 2 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.044 -0.144 18989 1176 1 2 . 1 1 96 96 GLU CB C 96 33.000 33.000 29.513 3.487 18989 1177 1 2 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.414 0.406 18989 1178 1 2 . 1 1 97 97 PRO C C 97 176.300 176.300 176.082 0.218 18989 1179 1 2 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.960 0.140 18989 1180 1 2 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.625 1.075 18989 1181 1 2 . 1 1 98 98 LEU N N 98 122.900 122.900 126.947 -4.047 18989 1182 1 2 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.606 -0.076 18989 1183 1 2 . 1 1 98 98 LEU C C 98 176.200 176.200 176.816 -0.616 18989 1184 1 2 . 1 1 98 98 LEU CA C 98 54.200 54.200 52.984 1.216 18989 1185 1 2 . 1 1 98 98 LEU CB C 98 44.100 44.100 44.347 -0.247 18989 1186 1 2 . 1 1 99 99 GLU N N 99 124.700 124.700 118.673 6.027 18989 1187 1 2 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.239 -0.379 18989 1188 1 2 . 1 1 99 99 GLU C C 99 176.900 176.900 176.969 -0.069 18989 1189 1 2 . 1 1 99 99 GLU CA C 99 59.500 59.500 57.668 1.832 18989 1190 1 2 . 1 1 99 99 GLU CB C 99 28.000 28.000 30.057 -2.057 18989 1191 1 2 . 1 1 100 100 GLU N N 100 118.200 118.200 118.841 -0.641 18989 1192 1 2 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.329 0.101 18989 1193 1 2 . 1 1 100 100 GLU C C 100 176.200 176.200 177.028 -0.828 18989 1194 1 2 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.760 -0.359 18989 1195 1 2 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.433 -0.533 18989 1196 1 2 . 1 1 101 101 GLY N N 101 110.100 110.100 106.239 3.861 18989 1197 1 2 . 1 1 101 101 GLY C C 101 174.100 174.100 172.634 1.466 18989 1198 1 2 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.239 -0.239 18989 1199 1 2 . 1 1 102 102 THR N N 102 120.200 120.200 116.378 3.822 18989 1200 1 2 . 1 1 102 102 THR HA H 102 4.850 4.850 5.200 -0.350 18989 1201 1 2 . 1 1 102 102 THR C C 102 172.700 172.700 173.778 -1.078 18989 1202 1 2 . 1 1 102 102 THR CA C 102 63.700 63.700 62.526 1.174 18989 1203 1 2 . 1 1 102 102 THR CB C 102 73.600 73.600 72.070 1.530 18989 1204 1 2 . 1 1 103 103 VAL N N 103 125.600 125.600 128.245 -2.645 18989 1205 1 2 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.542 0.368 18989 1206 1 2 . 1 1 103 103 VAL C C 103 175.000 175.000 175.485 -0.485 18989 1207 1 2 . 1 1 103 103 VAL CA C 103 61.300 61.300 62.150 -0.850 18989 1208 1 2 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.529 1.171 18989 1209 1 2 . 1 1 104 104 LEU N N 104 133.900 133.900 131.254 2.646 18989 1210 1 2 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.839 0.301 18989 1211 1 2 . 1 1 104 104 LEU C C 104 173.800 173.800 175.680 -1.880 18989 1212 1 2 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.475 -1.175 18989 1213 1 2 . 1 1 104 104 LEU CB C 104 46.100 46.100 42.401 3.699 18989 1214 1 2 . 1 1 105 105 THR N N 105 124.400 124.400 125.460 -1.060 18989 1215 1 2 . 1 1 105 105 THR HA H 105 5.210 5.210 4.817 0.393 18989 1216 1 2 . 1 1 105 105 THR C C 105 173.500 173.500 173.097 0.403 18989 1217 1 2 . 1 1 105 105 THR CA C 105 61.500 61.500 61.950 -0.450 18989 1218 1 2 . 1 1 105 105 THR CB C 105 71.100 71.100 69.764 1.336 18989 1219 1 2 . 1 1 106 106 GLU N N 106 126.900 126.900 128.926 -2.026 18989 1220 1 2 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.787 0.573 18989 1221 1 2 . 1 1 106 106 GLU C C 106 173.400 173.400 174.771 -1.371 18989 1222 1 2 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.990 -0.590 18989 1223 1 2 . 1 1 106 106 GLU CB C 106 32.000 32.000 31.903 0.097 18989 1224 1 2 . 1 1 107 107 SER N N 107 120.800 120.800 123.056 -2.256 18989 1225 1 2 . 1 1 107 107 SER HA H 107 5.470 5.470 4.732 0.738 18989 1226 1 2 . 1 1 107 107 SER C C 107 171.600 171.600 172.957 -1.357 18989 1227 1 2 . 1 1 107 107 SER CA C 107 56.000 56.000 57.267 -1.267 18989 1228 1 2 . 1 1 107 107 SER CB C 107 66.700 66.700 64.014 2.686 18989 1229 1 2 . 1 1 108 108 TRP N N 108 124.600 124.600 130.774 -6.174 18989 1230 1 2 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.909 -0.229 18989 1231 1 2 . 1 1 108 108 TRP C C 108 175.000 175.000 174.345 0.655 18989 1232 1 2 . 1 1 108 108 TRP CA C 108 55.900 55.900 56.055 -0.155 18989 1233 1 2 . 1 1 108 108 TRP CB C 108 33.600 33.600 31.328 2.272 18989 1234 1 2 . 1 1 109 109 GLU N N 109 127.200 127.200 128.491 -1.291 18989 1235 1 2 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.036 0.464 18989 1236 1 2 . 1 1 109 109 GLU C C 109 172.300 172.300 173.250 -0.950 18989 1237 1 2 . 1 1 109 109 GLU CA C 109 54.100 54.100 55.111 -1.012 18989 1238 1 2 . 1 1 109 109 GLU CB C 109 32.900 32.900 33.532 -0.632 18989 1239 1 2 . 1 1 110 110 PHE N N 110 129.400 129.400 128.261 1.139 18989 1240 1 2 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.974 -0.284 18989 1241 1 2 . 1 1 110 110 PHE C C 110 177.100 177.100 174.043 3.057 18989 1242 1 2 . 1 1 110 110 PHE CA C 110 54.000 54.000 55.579 -1.579 18989 1243 1 2 . 1 1 110 110 PHE CB C 110 38.500 38.500 41.464 -2.964 18989 1244 1 2 . 1 1 111 111 THR N N 111 117.800 117.800 119.503 -1.703 18989 1245 1 2 . 1 1 111 111 THR HA H 111 4.510 4.510 4.419 0.091 18989 1246 1 2 . 1 1 111 111 THR CA C 111 61.800 61.800 60.428 1.371 18989 1247 1 2 . 1 1 111 111 THR CB C 111 66.100 66.100 68.447 -2.347 18989 1248 1 2 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.034 -0.044 18989 1249 1 2 . 1 1 113 113 LYS C C 113 179.200 179.200 178.767 0.433 18989 1250 1 2 . 1 1 114 114 GLY N N 114 110.100 110.100 106.004 4.096 18989 1251 1 2 . 1 1 114 114 GLY CA C 114 47.100 47.100 47.004 0.096 18989 1252 1 2 . 1 1 115 115 GLN N N 115 121.100 121.100 120.379 0.721 18989 1253 1 2 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.684 -0.674 18989 1254 1 2 . 1 1 115 115 GLN C C 115 178.000 178.000 178.580 -0.580 18989 1255 1 2 . 1 1 115 115 GLN CA C 115 59.900 59.900 57.839 2.061 18989 1256 1 2 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.382 1.018 18989 1257 1 2 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.172 -0.032 18989 1258 1 2 . 1 1 116 116 ARG C C 116 177.900 177.900 178.266 -0.366 18989 1259 1 2 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.463 0.037 18989 1260 1 2 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.840 0.160 18989 1261 1 2 . 1 1 117 117 PHE N N 117 120.800 120.800 118.354 2.446 18989 1262 1 2 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.164 0.306 18989 1263 1 2 . 1 1 117 117 PHE C C 117 178.100 178.100 177.742 0.358 18989 1264 1 2 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.795 -0.595 18989 1265 1 2 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.684 0.317 18989 1266 1 2 . 1 1 118 118 PHE N N 118 119.600 119.600 116.003 3.597 18989 1267 1 2 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.463 -0.233 18989 1268 1 2 . 1 1 118 118 PHE C C 118 178.500 178.500 177.835 0.665 18989 1269 1 2 . 1 1 118 118 PHE CA C 118 62.300 62.300 61.956 0.344 18989 1270 1 2 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.661 0.539 18989 1271 1 2 . 1 1 119 119 HIS N N 119 120.900 120.900 119.198 1.702 18989 1272 1 2 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.747 -0.127 18989 1273 1 2 . 1 1 119 119 HIS C C 119 178.500 178.500 177.211 1.289 18989 1274 1 2 . 1 1 119 119 HIS CA C 119 59.900 59.900 58.916 0.984 18989 1275 1 2 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.269 -0.569 18989 1276 1 2 . 1 1 120 120 ASP N N 120 120.400 120.400 120.661 -0.261 18989 1277 1 2 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.392 -0.062 18989 1278 1 2 . 1 1 120 120 ASP C C 120 177.500 177.500 178.470 -0.970 18989 1279 1 2 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.853 0.347 18989 1280 1 2 . 1 1 120 120 ASP CB C 120 40.500 40.500 41.257 -0.757 18989 1281 1 2 . 1 1 121 121 LYS N N 121 118.100 118.100 119.533 -1.433 18989 1282 1 2 . 1 1 121 121 LYS HA H 121 3.810 3.810 4.021 -0.211 18989 1283 1 2 . 1 1 121 121 LYS C C 121 178.200 178.200 178.375 -0.175 18989 1284 1 2 . 1 1 121 121 LYS CA C 121 58.100 58.100 58.085 0.015 18989 1285 1 2 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.440 0.760 18989 1286 1 2 . 1 1 122 122 PHE N N 122 112.800 112.800 118.981 -6.181 18989 1287 1 2 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.779 -0.099 18989 1288 1 2 . 1 1 122 122 PHE C C 122 177.600 177.600 176.272 1.328 18989 1289 1 2 . 1 1 122 122 PHE CA C 122 58.100 58.100 55.964 2.136 18989 1290 1 2 . 1 1 122 122 PHE CB C 122 40.000 40.000 37.547 2.453 18989 1291 1 2 . 1 1 123 123 GLY N N 123 112.200 112.200 109.882 2.318 18989 1292 1 2 . 1 1 123 123 GLY CA C 123 47.300 47.300 47.044 0.256 18989 1293 1 2 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.558 0.022 18989 1294 1 2 . 1 1 124 124 ASP C C 124 177.700 177.700 177.513 0.187 18989 1295 1 2 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.485 0.315 18989 1296 1 2 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.999 -0.899 18989 1297 1 2 . 1 1 125 125 LYS N N 125 118.400 118.400 118.833 -0.433 18989 1298 1 2 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.389 0.281 18989 1299 1 2 . 1 1 125 125 LYS C C 125 177.100 177.100 177.467 -0.367 18989 1300 1 2 . 1 1 125 125 LYS CA C 125 56.000 56.000 56.740 -0.740 18989 1301 1 2 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.105 0.195 18989 1302 1 2 . 1 1 126 126 SER N N 126 116.600 116.600 115.910 0.690 18989 1303 1 2 . 1 1 126 126 SER HA H 126 3.830 3.830 4.369 -0.539 18989 1304 1 2 . 1 1 126 126 SER C C 126 175.700 175.700 176.065 -0.365 18989 1305 1 2 . 1 1 126 126 SER CA C 126 62.700 62.700 61.824 0.876 18989 1306 1 2 . 1 1 126 126 SER CB C 126 63.000 63.000 62.657 0.343 18989 1307 1 2 . 1 1 127 127 ILE N N 127 122.300 122.300 120.984 1.316 18989 1308 1 2 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.802 0.008 18989 1309 1 2 . 1 1 127 127 ILE C C 127 178.500 178.500 177.561 0.939 18989 1310 1 2 . 1 1 127 127 ILE CA C 127 65.000 65.000 64.783 0.217 18989 1311 1 2 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.612 -0.812 18989 1312 1 2 . 1 1 128 128 GLU N N 128 120.500 120.500 119.207 1.293 18989 1313 1 2 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.980 0.120 18989 1314 1 2 . 1 1 128 128 GLU C C 128 179.400 179.400 179.254 0.146 18989 1315 1 2 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.725 -0.425 18989 1316 1 2 . 1 1 128 128 GLU CB C 128 29.700 29.700 28.737 0.963 18989 1317 1 2 . 1 1 129 129 GLU N N 129 118.800 118.800 118.956 -0.156 18989 1318 1 2 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.914 -0.004 18989 1319 1 2 . 1 1 129 129 GLU C C 129 179.900 179.900 179.094 0.806 18989 1320 1 2 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.800 0.200 18989 1321 1 2 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.085 0.115 18989 1322 1 2 . 1 1 130 130 ILE N N 130 122.700 122.700 116.127 6.573 18989 1323 1 2 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.868 -0.388 18989 1324 1 2 . 1 1 130 130 ILE C C 130 177.600 177.600 177.848 -0.248 18989 1325 1 2 . 1 1 130 130 ILE CA C 130 66.400 66.400 63.898 2.502 18989 1326 1 2 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.407 0.893 18989 1327 1 2 . 1 1 131 131 GLU N N 131 120.100 120.100 121.779 -1.679 18989 1328 1 2 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.956 0.434 18989 1329 1 2 . 1 1 131 131 GLU C C 131 178.800 178.800 178.952 -0.152 18989 1330 1 2 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.526 -0.926 18989 1331 1 2 . 1 1 131 131 GLU CB C 131 28.900 28.900 28.919 -0.019 18989 1332 1 2 . 1 1 132 132 LYS N N 132 118.300 118.300 119.042 -0.742 18989 1333 1 2 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.858 0.102 18989 1334 1 2 . 1 1 132 132 LYS C C 132 180.400 180.400 179.339 1.061 18989 1335 1 2 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.325 0.975 18989 1336 1 2 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.114 0.586 18989 1337 1 2 . 1 1 133 133 ARG N N 133 118.400 118.400 118.738 -0.338 18989 1338 1 2 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.886 0.174 18989 1339 1 2 . 1 1 133 133 ARG C C 133 178.600 178.600 178.433 0.167 18989 1340 1 2 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.524 -0.524 18989 1341 1 2 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.664 -0.264 18989 1342 1 2 . 1 1 134 134 ARG N N 134 122.500 122.500 119.416 3.084 18989 1343 1 2 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.160 -0.550 18989 1344 1 2 . 1 1 134 134 ARG C C 134 177.600 177.600 179.050 -1.450 18989 1345 1 2 . 1 1 134 134 ARG CA C 134 59.400 59.400 58.921 0.479 18989 1346 1 2 . 1 1 134 134 ARG CB C 134 31.000 31.000 29.650 1.350 18989 1347 1 2 . 1 1 135 135 LEU N N 135 118.200 118.200 120.254 -2.054 18989 1348 1 2 . 1 1 135 135 LEU HA H 135 3.810 3.810 4.071 -0.261 18989 1349 1 2 . 1 1 135 135 LEU C C 135 179.700 179.700 178.598 1.102 18989 1350 1 2 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.236 0.464 18989 1351 1 2 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.745 -0.345 18989 1352 1 2 . 1 1 136 136 ALA N N 136 120.400 120.400 120.732 -0.332 18989 1353 1 2 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.868 0.162 18989 1354 1 2 . 1 1 136 136 ALA C C 136 180.500 180.500 179.537 0.963 18989 1355 1 2 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.876 -0.176 18989 1356 1 2 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.911 0.189 18989 1357 1 2 . 1 1 137 137 ALA N N 137 123.200 123.200 120.384 2.816 18989 1358 1 2 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.698 0.202 18989 1359 1 2 . 1 1 137 137 ALA C C 137 178.700 178.700 178.902 -0.202 18989 1360 1 2 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.678 0.622 18989 1361 1 2 . 1 1 137 137 ALA CB C 137 15.800 15.800 18.033 -2.233 18989 1362 1 2 . 1 1 138 138 ILE N N 138 115.400 115.400 117.425 -2.025 18989 1363 1 2 . 1 1 138 138 ILE HA H 138 2.830 2.830 3.177 -0.347 18989 1364 1 2 . 1 1 138 138 ILE C C 138 177.800 177.800 177.725 0.075 18989 1365 1 2 . 1 1 138 138 ILE CA C 138 64.200 64.200 63.889 0.311 18989 1366 1 2 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.263 0.137 18989 1367 1 2 . 1 1 139 139 THR N N 139 109.500 109.500 115.652 -6.152 18989 1368 1 2 . 1 1 139 139 THR HA H 139 4.150 4.150 4.100 0.050 18989 1369 1 2 . 1 1 139 139 THR C C 139 177.300 177.300 176.232 1.068 18989 1370 1 2 . 1 1 139 139 THR CA C 139 64.000 64.000 66.506 -2.506 18989 1371 1 2 . 1 1 139 139 THR CB C 139 69.600 69.600 68.968 0.632 18989 1372 1 2 . 1 1 140 140 GLY N N 140 110.800 110.800 109.847 0.953 18989 1373 1 2 . 1 1 140 140 GLY C C 140 176.700 176.700 175.454 1.246 18989 1374 1 2 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.328 0.472 18989 1375 1 2 . 1 1 141 141 ILE N N 141 122.700 122.700 122.519 0.181 18989 1376 1 2 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.112 0.048 18989 1377 1 2 . 1 1 141 141 ILE CA C 141 68.300 68.300 66.657 1.643 18989 1378 1 2 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.005 0.295 18989 1379 1 2 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.297 0.053 18989 1380 1 2 . 1 1 142 142 PRO C C 142 179.300 179.300 179.217 0.083 18989 1381 1 2 . 1 1 142 142 PRO CA C 142 66.700 66.700 66.005 0.695 18989 1382 1 2 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.020 0.180 18989 1383 1 2 . 1 1 143 143 GLU N N 143 113.900 113.900 117.978 -4.078 18989 1384 1 2 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.097 0.073 18989 1385 1 2 . 1 1 143 143 GLU C C 143 179.600 179.600 179.240 0.360 18989 1386 1 2 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.281 0.019 18989 1387 1 2 . 1 1 143 143 GLU CB C 143 30.000 30.000 28.781 1.219 18989 1388 1 2 . 1 1 144 144 THR N N 144 119.900 119.900 117.391 2.509 18989 1389 1 2 . 1 1 144 144 THR HA H 144 4.290 4.290 4.089 0.201 18989 1390 1 2 . 1 1 144 144 THR C C 144 175.800 175.800 176.912 -1.112 18989 1391 1 2 . 1 1 144 144 THR CA C 144 67.000 67.000 66.348 0.652 18989 1392 1 2 . 1 1 144 144 THR CB C 144 69.500 69.500 68.621 0.879 18989 1393 1 2 . 1 1 145 145 LEU N N 145 120.300 120.300 121.319 -1.019 18989 1394 1 2 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.151 -0.241 18989 1395 1 2 . 1 1 145 145 LEU C C 145 178.700 178.700 178.778 -0.078 18989 1396 1 2 . 1 1 145 145 LEU CA C 145 58.600 58.600 57.940 0.660 18989 1397 1 2 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.539 -0.039 18989 1398 1 2 . 1 1 146 146 VAL N N 146 117.600 117.600 118.315 -0.715 18989 1399 1 2 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.725 -0.045 18989 1400 1 2 . 1 1 146 146 VAL C C 146 177.700 177.700 178.082 -0.382 18989 1401 1 2 . 1 1 146 146 VAL CA C 146 66.100 66.100 65.916 0.184 18989 1402 1 2 . 1 1 146 146 VAL CB C 146 32.000 32.000 30.521 1.479 18989 1403 1 2 . 1 1 147 147 ALA N N 147 123.600 123.600 123.831 -0.231 18989 1404 1 2 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.068 0.162 18989 1405 1 2 . 1 1 147 147 ALA C C 147 180.400 180.400 179.781 0.619 18989 1406 1 2 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.405 0.195 18989 1407 1 2 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.193 0.607 18989 1408 1 2 . 1 1 148 148 ILE N N 148 119.600 119.600 119.524 0.076 18989 1409 1 2 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.561 -0.251 18989 1410 1 2 . 1 1 148 148 ILE C C 148 177.100 177.100 177.995 -0.895 18989 1411 1 2 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.588 0.712 18989 1412 1 2 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.770 0.430 18989 1413 1 2 . 1 1 149 149 GLN N N 149 119.200 119.200 119.020 0.180 18989 1414 1 2 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.961 -0.291 18989 1415 1 2 . 1 1 149 149 GLN C C 149 178.000 178.000 177.963 0.037 18989 1416 1 2 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.326 0.774 18989 1417 1 2 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.589 1.011 18989 1418 1 2 . 1 1 150 150 ARG N N 150 120.500 120.500 120.079 0.421 18989 1419 1 2 . 1 1 150 150 ARG HA H 150 4.050 4.050 3.965 0.085 18989 1420 1 2 . 1 1 150 150 ARG C C 150 179.000 179.000 178.824 0.176 18989 1421 1 2 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.293 0.007 18989 1422 1 2 . 1 1 150 150 ARG CB C 150 30.000 30.000 29.979 0.021 18989 1423 1 2 . 1 1 151 151 ILE N N 151 119.100 119.100 118.945 0.155 18989 1424 1 2 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.859 -0.209 18989 1425 1 2 . 1 1 151 151 ILE C C 151 178.500 178.500 177.043 1.457 18989 1426 1 2 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.517 0.783 18989 1427 1 2 . 1 1 151 151 ILE CB C 151 39.000 39.000 38.348 0.652 18989 1428 1 2 . 1 1 152 152 LEU N N 152 117.100 117.100 118.035 -0.935 18989 1429 1 2 . 1 1 152 152 LEU HA H 152 4.080 4.080 4.209 -0.129 18989 1430 1 2 . 1 1 152 152 LEU C C 152 178.700 178.700 178.457 0.243 18989 1431 1 2 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.774 -0.774 18989 1432 1 2 . 1 1 152 152 LEU CB C 152 42.900 42.900 40.631 2.269 18989 1433 1 2 . 1 1 153 153 GLU N N 153 117.800 117.800 120.266 -2.466 18989 1434 1 2 . 1 1 153 153 GLU HA H 153 4.170 4.170 4.008 0.162 18989 1435 1 2 . 1 1 153 153 GLU C C 153 178.300 178.300 179.152 -0.852 18989 1436 1 2 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.371 -0.671 18989 1437 1 2 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.621 -0.321 18989 1438 1 2 . 1 1 154 154 VAL N N 154 119.500 119.500 118.553 0.947 18989 1439 1 2 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.771 0.229 18989 1440 1 2 . 1 1 154 154 VAL C C 154 177.500 177.500 178.244 -0.744 18989 1441 1 2 . 1 1 154 154 VAL CA C 154 64.700 64.700 65.903 -1.203 18989 1442 1 2 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.375 0.825 18989 1443 1 2 . 1 1 155 155 GLU N N 155 121.300 121.300 119.748 1.552 18989 1444 1 2 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.366 -0.186 18989 1445 1 2 . 1 1 155 155 GLU C C 155 177.600 177.600 178.625 -1.025 18989 1446 1 2 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.393 -0.393 18989 1447 1 2 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.367 0.333 18989 1448 1 2 . 1 1 156 156 LEU N N 156 120.800 120.800 120.969 -0.169 18989 1449 1 2 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.076 0.154 18989 1450 1 2 . 1 1 156 156 LEU C C 156 178.000 178.000 178.735 -0.735 18989 1451 1 2 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.508 -1.308 18989 1452 1 2 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.051 0.249 18989 1453 1 2 . 1 1 157 157 GLU N N 157 119.700 119.700 115.251 4.449 18989 1454 1 2 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.259 -0.129 18989 1455 1 2 . 1 1 157 157 GLU C C 157 177.000 177.000 176.613 0.387 18989 1456 1 2 . 1 1 157 157 GLU CA C 157 57.400 57.400 56.352 1.048 18989 1457 1 2 . 1 1 157 157 GLU CB C 157 29.800 29.800 30.052 -0.252 18989 1458 1 2 . 1 1 158 158 HIS N N 158 117.700 117.700 118.956 -1.256 18989 1459 1 2 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.335 0.295 18989 1460 1 2 . 1 1 158 158 HIS C C 158 173.900 173.900 174.054 -0.154 18989 1461 1 2 . 1 1 158 158 HIS CA C 158 56.000 56.000 56.227 -0.227 18989 1462 1 2 . 1 1 158 158 HIS CB C 158 30.000 30.000 28.087 1.913 18989 1463 1 2 . 1 1 159 159 HIS N N 159 125.200 125.200 125.891 -0.691 18989 1464 1 2 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.778 -0.338 18989 1465 1 2 . 1 1 159 159 HIS CA C 159 57.300 57.300 55.007 2.293 18989 1466 1 2 . 1 1 159 159 HIS CB C 159 28.800 28.800 27.902 0.898 18989 1467 1 3 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.453 -0.053 18989 1468 1 3 . 1 1 2 2 PRO CA C 2 62.400 62.400 62.681 -0.281 18989 1469 1 3 . 1 1 2 2 PRO CB C 2 32.800 32.800 32.368 0.432 18989 1470 1 3 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.220 0.260 18989 1471 1 3 . 1 1 3 3 LYS C C 3 176.600 176.600 178.067 -1.467 18989 1472 1 3 . 1 1 3 3 LYS CA C 3 55.900 55.900 56.156 -0.256 18989 1473 1 3 . 1 1 3 3 LYS CB C 3 34.200 34.200 33.700 0.500 18989 1474 1 3 . 1 1 4 4 SER N N 4 117.800 117.800 118.078 -0.278 18989 1475 1 3 . 1 1 4 4 SER HA H 4 4.220 4.220 4.251 -0.031 18989 1476 1 3 . 1 1 4 4 SER C C 4 174.100 174.100 175.600 -1.500 18989 1477 1 3 . 1 1 4 4 SER CA C 4 59.700 59.700 60.893 -1.193 18989 1478 1 3 . 1 1 4 4 SER CB C 4 63.700 63.700 63.156 0.544 18989 1479 1 3 . 1 1 5 5 LEU N N 5 124.700 124.700 122.181 2.519 18989 1480 1 3 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.744 0.056 18989 1481 1 3 . 1 1 5 5 LEU C C 5 175.500 175.500 174.578 0.922 18989 1482 1 3 . 1 1 5 5 LEU CA C 5 54.000 54.000 53.955 0.045 18989 1483 1 3 . 1 1 5 5 LEU CB C 5 43.200 43.200 40.510 2.691 18989 1484 1 3 . 1 1 6 6 THR N N 6 111.200 111.200 116.688 -5.488 18989 1485 1 3 . 1 1 6 6 THR HA H 6 5.620 5.620 4.976 0.643 18989 1486 1 3 . 1 1 6 6 THR C C 6 174.500 174.500 173.097 1.403 18989 1487 1 3 . 1 1 6 6 THR CA C 6 59.700 59.700 62.055 -2.355 18989 1488 1 3 . 1 1 6 6 THR CB C 6 73.000 73.000 71.695 1.304 18989 1489 1 3 . 1 1 7 7 PHE N N 7 120.700 120.700 125.336 -4.636 18989 1490 1 3 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.879 -0.129 18989 1491 1 3 . 1 1 7 7 PHE C C 7 172.100 172.100 172.859 -0.759 18989 1492 1 3 . 1 1 7 7 PHE CA C 7 59.300 59.300 56.599 2.701 18989 1493 1 3 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.312 0.188 18989 1494 1 3 . 1 1 8 8 GLU N N 8 122.100 122.100 122.397 -0.297 18989 1495 1 3 . 1 1 8 8 GLU HA H 8 5.380 5.380 4.872 0.508 18989 1496 1 3 . 1 1 8 8 GLU C C 8 172.500 172.500 174.087 -1.587 18989 1497 1 3 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.011 0.488 18989 1498 1 3 . 1 1 8 8 GLU CB C 8 33.500 33.500 32.942 0.558 18989 1499 1 3 . 1 1 9 9 ASP N N 9 117.400 117.400 119.840 -2.440 18989 1500 1 3 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.798 0.022 18989 1501 1 3 . 1 1 9 9 ASP C C 9 173.500 173.500 173.772 -0.272 18989 1502 1 3 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.405 -0.305 18989 1503 1 3 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.495 0.605 18989 1504 1 3 . 1 1 10 10 SER N N 10 113.600 113.600 116.635 -3.035 18989 1505 1 3 . 1 1 10 10 SER HA H 10 5.990 5.990 5.727 0.263 18989 1506 1 3 . 1 1 10 10 SER C C 10 172.600 172.600 173.156 -0.556 18989 1507 1 3 . 1 1 10 10 SER CA C 10 57.300 57.300 56.897 0.403 18989 1508 1 3 . 1 1 10 10 SER CB C 10 68.100 68.100 66.213 1.887 18989 1509 1 3 . 1 1 11 11 ILE N N 11 122.700 122.700 122.251 0.449 18989 1510 1 3 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.450 0.070 18989 1511 1 3 . 1 1 11 11 ILE C C 11 171.300 171.300 173.481 -2.181 18989 1512 1 3 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.363 0.637 18989 1513 1 3 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.127 1.273 18989 1514 1 3 . 1 1 12 12 ASN N N 12 124.600 124.600 125.261 -0.661 18989 1515 1 3 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.761 0.519 18989 1516 1 3 . 1 1 12 12 ASN C C 12 174.700 174.700 174.518 0.182 18989 1517 1 3 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.903 -0.603 18989 1518 1 3 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.484 0.116 18989 1519 1 3 . 1 1 13 13 ILE N N 13 122.900 122.900 125.725 -2.825 18989 1520 1 3 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.257 0.193 18989 1521 1 3 . 1 1 13 13 ILE C C 13 175.300 175.300 175.123 0.177 18989 1522 1 3 . 1 1 13 13 ILE CA C 13 60.300 60.300 60.176 0.124 18989 1523 1 3 . 1 1 13 13 ILE CB C 13 41.600 41.600 39.831 1.769 18989 1524 1 3 . 1 1 14 14 ALA N N 14 136.600 136.600 132.111 4.489 18989 1525 1 3 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.310 0.390 18989 1526 1 3 . 1 1 14 14 ALA C C 14 175.100 175.100 176.153 -1.053 18989 1527 1 3 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.692 -0.692 18989 1528 1 3 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.463 -1.163 18989 1529 1 3 . 1 1 15 15 ALA N N 15 122.100 122.100 124.640 -2.540 18989 1530 1 3 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.714 0.046 18989 1531 1 3 . 1 1 15 15 ALA CA C 15 50.000 50.000 50.518 -0.518 18989 1532 1 3 . 1 1 15 15 ALA CB C 15 21.100 21.100 20.655 0.445 18989 1533 1 3 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.556 0.054 18989 1534 1 3 . 1 1 16 16 PRO C C 16 179.200 179.200 177.308 1.892 18989 1535 1 3 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.887 -0.787 18989 1536 1 3 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.751 0.349 18989 1537 1 3 . 1 1 17 17 ILE N N 17 124.400 124.400 122.520 1.880 18989 1538 1 3 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.743 0.247 18989 1539 1 3 . 1 1 17 17 ILE C C 17 175.800 175.800 176.644 -0.844 18989 1540 1 3 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.888 0.812 18989 1541 1 3 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.310 0.390 18989 1542 1 3 . 1 1 18 18 ASN N N 18 117.200 117.200 116.758 0.442 18989 1543 1 3 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.393 0.297 18989 1544 1 3 . 1 1 18 18 ASN C C 18 178.700 178.700 177.823 0.877 18989 1545 1 3 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.257 -0.457 18989 1546 1 3 . 1 1 18 18 ASN CB C 18 37.100 37.100 37.371 -0.272 18989 1547 1 3 . 1 1 19 19 GLN N N 19 120.300 120.300 119.700 0.600 18989 1548 1 3 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.187 -0.067 18989 1549 1 3 . 1 1 19 19 GLN C C 19 178.500 178.500 178.001 0.499 18989 1550 1 3 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.525 -0.225 18989 1551 1 3 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.198 0.102 18989 1552 1 3 . 1 1 20 20 VAL N N 20 120.300 120.300 120.391 -0.091 18989 1553 1 3 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.707 -0.257 18989 1554 1 3 . 1 1 20 20 VAL C C 20 177.500 177.500 177.819 -0.319 18989 1555 1 3 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.505 -0.305 18989 1556 1 3 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.543 -0.643 18989 1557 1 3 . 1 1 21 21 TYR N N 21 118.800 118.800 120.916 -2.116 18989 1558 1 3 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.258 -0.678 18989 1559 1 3 . 1 1 21 21 TYR C C 21 177.800 177.800 176.614 1.186 18989 1560 1 3 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.086 1.814 18989 1561 1 3 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.611 -0.211 18989 1562 1 3 . 1 1 22 22 ALA N N 22 120.400 120.400 120.715 -0.315 18989 1563 1 3 . 1 1 22 22 ALA HA H 22 3.760 3.760 4.110 -0.350 18989 1564 1 3 . 1 1 22 22 ALA C C 22 178.000 178.000 178.596 -0.596 18989 1565 1 3 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.142 0.558 18989 1566 1 3 . 1 1 22 22 ALA CB C 22 18.500 18.500 19.014 -0.513 18989 1567 1 3 . 1 1 23 23 LEU N N 23 116.400 116.400 117.800 -1.400 18989 1568 1 3 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.384 -0.154 18989 1569 1 3 . 1 1 23 23 LEU C C 23 177.200 177.200 178.829 -1.629 18989 1570 1 3 . 1 1 23 23 LEU CA C 23 58.000 58.000 55.403 2.597 18989 1571 1 3 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.211 1.189 18989 1572 1 3 . 1 1 24 24 VAL N N 24 128.600 128.600 119.555 9.045 18989 1573 1 3 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.902 -0.542 18989 1574 1 3 . 1 1 24 24 VAL C C 24 175.200 175.200 175.430 -0.230 18989 1575 1 3 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.478 -0.178 18989 1576 1 3 . 1 1 24 24 VAL CB C 24 30.800 30.800 32.214 -1.414 18989 1577 1 3 . 1 1 25 25 SER N N 25 108.500 108.500 114.141 -5.641 18989 1578 1 3 . 1 1 25 25 SER HA H 25 2.520 2.520 4.589 -2.069 18989 1579 1 3 . 1 1 25 25 SER CA C 25 58.200 58.200 57.939 0.261 18989 1580 1 3 . 1 1 25 25 SER CB C 25 63.600 63.600 63.967 -0.367 18989 1581 1 3 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.600 0.310 18989 1582 1 3 . 1 1 26 26 ASP C C 26 175.500 175.500 176.724 -1.224 18989 1583 1 3 . 1 1 26 26 ASP CA C 26 51.200 51.200 53.368 -2.168 18989 1584 1 3 . 1 1 26 26 ASP CB C 26 38.100 38.100 40.863 -2.763 18989 1585 1 3 . 1 1 27 27 ILE N N 27 123.500 123.500 115.005 8.495 18989 1586 1 3 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.018 -0.628 18989 1587 1 3 . 1 1 27 27 ILE C C 27 178.900 178.900 176.094 2.806 18989 1588 1 3 . 1 1 27 27 ILE CA C 27 61.700 61.700 60.925 0.775 18989 1589 1 3 . 1 1 27 27 ILE CB C 27 36.600 36.600 36.889 -0.289 18989 1590 1 3 . 1 1 28 28 THR N N 28 112.500 112.500 117.419 -4.919 18989 1591 1 3 . 1 1 28 28 THR HA H 28 4.350 4.350 4.322 0.028 18989 1592 1 3 . 1 1 28 28 THR C C 28 176.500 176.500 174.477 2.023 18989 1593 1 3 . 1 1 28 28 THR CA C 28 64.000 64.000 63.721 0.279 18989 1594 1 3 . 1 1 28 28 THR CB C 28 68.600 68.600 67.537 1.063 18989 1595 1 3 . 1 1 29 29 ARG N N 29 121.100 121.100 127.248 -6.148 18989 1596 1 3 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.640 -0.360 18989 1597 1 3 . 1 1 29 29 ARG CA C 29 56.200 56.200 54.759 1.441 18989 1598 1 3 . 1 1 29 29 ARG CB C 29 30.600 30.600 31.421 -0.821 18989 1599 1 3 . 1 1 30 30 THR HA H 30 5.870 5.870 4.532 1.338 18989 1600 1 3 . 1 1 30 30 THR C C 30 174.000 174.000 174.927 -0.927 18989 1601 1 3 . 1 1 30 30 THR CA C 30 66.000 66.000 61.601 4.399 18989 1602 1 3 . 1 1 30 30 THR CB C 30 69.400 69.400 68.035 1.365 18989 1603 1 3 . 1 1 31 31 GLY N N 31 106.200 106.200 112.894 -6.694 18989 1604 1 3 . 1 1 31 31 GLY C C 31 175.200 175.200 173.070 2.130 18989 1605 1 3 . 1 1 31 31 GLY CA C 31 46.200 46.200 45.190 1.010 18989 1606 1 3 . 1 1 32 32 GLU N N 32 118.400 118.400 121.338 -2.938 18989 1607 1 3 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.159 -0.189 18989 1608 1 3 . 1 1 32 32 GLU C C 32 177.500 177.500 177.565 -0.065 18989 1609 1 3 . 1 1 32 32 GLU CA C 32 58.800 58.800 55.741 3.059 18989 1610 1 3 . 1 1 32 32 GLU CB C 32 29.800 29.800 29.086 0.714 18989 1611 1 3 . 1 1 33 33 TRP N N 33 113.200 113.200 122.941 -9.741 18989 1612 1 3 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.300 0.640 18989 1613 1 3 . 1 1 33 33 TRP C C 33 175.300 175.300 176.274 -0.974 18989 1614 1 3 . 1 1 33 33 TRP CA C 33 56.400 56.400 59.187 -2.787 18989 1615 1 3 . 1 1 33 33 TRP CB C 33 30.600 30.600 28.285 2.315 18989 1616 1 3 . 1 1 34 34 SER N N 34 118.600 118.600 115.077 3.523 18989 1617 1 3 . 1 1 34 34 SER HA H 34 4.930 4.930 4.899 0.031 18989 1618 1 3 . 1 1 34 34 SER CA C 34 54.700 54.700 56.449 -1.749 18989 1619 1 3 . 1 1 34 34 SER CB C 34 63.000 63.000 64.994 -1.994 18989 1620 1 3 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.646 -0.186 18989 1621 1 3 . 1 1 35 35 PRO C C 35 177.100 177.100 176.881 0.219 18989 1622 1 3 . 1 1 35 35 PRO CA C 35 64.500 64.500 64.100 0.400 18989 1623 1 3 . 1 1 35 35 PRO CB C 35 32.300 32.300 31.712 0.588 18989 1624 1 3 . 1 1 36 36 VAL N N 36 113.900 113.900 113.766 0.134 18989 1625 1 3 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.387 -0.287 18989 1626 1 3 . 1 1 36 36 VAL C C 36 174.200 174.200 176.204 -2.004 18989 1627 1 3 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.751 0.149 18989 1628 1 3 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.789 0.711 18989 1629 1 3 . 1 1 37 37 CYS N N 37 121.000 121.000 120.791 0.209 18989 1630 1 3 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.550 -0.090 18989 1631 1 3 . 1 1 37 37 CYS C C 37 173.600 173.600 174.651 -1.051 18989 1632 1 3 . 1 1 37 37 CYS CA C 37 58.500 58.500 58.169 0.331 18989 1633 1 3 . 1 1 37 37 CYS CB C 37 27.000 27.000 26.768 0.232 18989 1634 1 3 . 1 1 38 38 GLU N N 38 129.300 129.300 127.893 1.407 18989 1635 1 3 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.229 -0.089 18989 1636 1 3 . 1 1 38 38 GLU C C 38 176.500 176.500 176.428 0.072 18989 1637 1 3 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.249 -0.349 18989 1638 1 3 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.321 1.479 18989 1639 1 3 . 1 1 39 39 LYS N N 39 117.100 117.100 118.818 -1.718 18989 1640 1 3 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.604 -0.134 18989 1641 1 3 . 1 1 39 39 LYS C C 39 173.600 173.600 174.080 -0.480 18989 1642 1 3 . 1 1 39 39 LYS CA C 39 55.800 55.800 56.447 -0.646 18989 1643 1 3 . 1 1 39 39 LYS CB C 39 36.500 36.500 35.104 1.396 18989 1644 1 3 . 1 1 40 40 CYS N N 40 125.100 125.100 124.736 0.364 18989 1645 1 3 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.434 -0.024 18989 1646 1 3 . 1 1 40 40 CYS C C 40 173.000 173.000 174.056 -1.056 18989 1647 1 3 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.204 -0.104 18989 1648 1 3 . 1 1 40 40 CYS CB C 40 30.100 30.100 28.758 1.342 18989 1649 1 3 . 1 1 41 41 TRP N N 41 124.300 124.300 127.092 -2.792 18989 1650 1 3 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.959 -0.129 18989 1651 1 3 . 1 1 41 41 TRP C C 41 174.100 174.100 174.249 -0.149 18989 1652 1 3 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.357 -0.057 18989 1653 1 3 . 1 1 41 41 TRP CB C 41 32.400 32.400 32.302 0.098 18989 1654 1 3 . 1 1 42 42 TRP N N 42 123.700 123.700 127.805 -4.105 18989 1655 1 3 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.708 0.122 18989 1656 1 3 . 1 1 42 42 TRP C C 42 178.200 178.200 176.864 1.336 18989 1657 1 3 . 1 1 42 42 TRP CA C 42 57.000 57.000 56.800 0.200 18989 1658 1 3 . 1 1 42 42 TRP CB C 42 31.600 31.600 30.830 0.770 18989 1659 1 3 . 1 1 43 43 ASP N N 43 124.400 124.400 123.263 1.137 18989 1660 1 3 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.086 0.594 18989 1661 1 3 . 1 1 43 43 ASP C C 43 176.300 176.300 177.221 -0.921 18989 1662 1 3 . 1 1 43 43 ASP CA C 43 56.300 56.300 57.176 -0.876 18989 1663 1 3 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.482 -0.182 18989 1664 1 3 . 1 1 44 44 GLU N N 44 119.400 119.400 117.096 2.304 18989 1665 1 3 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.028 0.242 18989 1666 1 3 . 1 1 44 44 GLU C C 44 176.500 176.500 178.367 -1.867 18989 1667 1 3 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.571 -0.971 18989 1668 1 3 . 1 1 44 44 GLU CB C 44 30.200 30.200 28.716 1.484 18989 1669 1 3 . 1 1 45 45 ASP N N 45 118.300 118.300 119.976 -1.676 18989 1670 1 3 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.388 0.092 18989 1671 1 3 . 1 1 45 45 ASP C C 45 175.900 175.900 177.725 -1.825 18989 1672 1 3 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.630 -0.630 18989 1673 1 3 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.860 -0.660 18989 1674 1 3 . 1 1 46 46 GLU N N 46 118.200 118.200 117.748 0.452 18989 1675 1 3 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.370 0.090 18989 1676 1 3 . 1 1 46 46 GLU C C 46 175.200 175.200 177.065 -1.865 18989 1677 1 3 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.497 0.103 18989 1678 1 3 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.541 0.258 18989 1679 1 3 . 1 1 47 47 GLY N N 47 106.400 106.400 109.078 -2.678 18989 1680 1 3 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.261 -0.661 18989 1681 1 3 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.988 -0.398 18989 1682 1 3 . 1 1 48 48 PRO C C 48 173.400 173.400 176.285 -2.885 18989 1683 1 3 . 1 1 48 48 PRO CA C 48 63.100 63.100 63.657 -0.557 18989 1684 1 3 . 1 1 48 48 PRO CB C 48 29.100 29.100 31.159 -2.059 18989 1685 1 3 . 1 1 49 49 VAL N N 49 121.900 121.900 118.015 3.885 18989 1686 1 3 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.621 -0.011 18989 1687 1 3 . 1 1 49 49 VAL C C 49 175.100 175.100 174.756 0.344 18989 1688 1 3 . 1 1 49 49 VAL CA C 49 59.300 59.300 59.418 -0.118 18989 1689 1 3 . 1 1 49 49 VAL CB C 49 35.500 35.500 35.592 -0.092 18989 1690 1 3 . 1 1 50 50 VAL N N 50 121.700 121.700 125.403 -3.703 18989 1691 1 3 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.801 -0.501 18989 1692 1 3 . 1 1 50 50 VAL C C 50 177.400 177.400 177.134 0.266 18989 1693 1 3 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.976 2.224 18989 1694 1 3 . 1 1 50 50 VAL CB C 50 31.300 31.300 31.326 -0.026 18989 1695 1 3 . 1 1 51 51 GLY N N 51 115.800 115.800 116.428 -0.628 18989 1696 1 3 . 1 1 51 51 GLY C C 51 174.200 174.200 173.958 0.242 18989 1697 1 3 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.459 0.141 18989 1698 1 3 . 1 1 52 52 ALA N N 52 123.000 123.000 123.241 -0.241 18989 1699 1 3 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.119 0.431 18989 1700 1 3 . 1 1 52 52 ALA C C 52 177.300 177.300 175.271 2.029 18989 1701 1 3 . 1 1 52 52 ALA CA C 52 52.800 52.800 51.874 0.925 18989 1702 1 3 . 1 1 52 52 ALA CB C 52 23.100 23.100 20.535 2.565 18989 1703 1 3 . 1 1 53 53 HIS N N 53 115.900 115.900 117.810 -1.910 18989 1704 1 3 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.518 0.502 18989 1705 1 3 . 1 1 53 53 HIS C C 53 174.200 174.200 174.915 -0.715 18989 1706 1 3 . 1 1 53 53 HIS CA C 53 55.200 55.200 53.497 1.703 18989 1707 1 3 . 1 1 53 53 HIS CB C 53 32.100 32.100 33.329 -1.229 18989 1708 1 3 . 1 1 54 54 PHE N N 54 115.800 115.800 124.690 -8.890 18989 1709 1 3 . 1 1 54 54 PHE HA H 54 5.150 5.150 4.930 0.220 18989 1710 1 3 . 1 1 54 54 PHE C C 54 172.600 172.600 176.118 -3.518 18989 1711 1 3 . 1 1 54 54 PHE CA C 54 55.500 55.500 57.246 -1.746 18989 1712 1 3 . 1 1 54 54 PHE CB C 54 41.700 41.700 39.130 2.570 18989 1713 1 3 . 1 1 55 55 THR N N 55 118.300 118.300 122.120 -3.820 18989 1714 1 3 . 1 1 55 55 THR HA H 55 4.770 4.770 4.494 0.276 18989 1715 1 3 . 1 1 55 55 THR C C 55 171.800 171.800 173.916 -2.116 18989 1716 1 3 . 1 1 55 55 THR CA C 55 61.000 61.000 62.838 -1.838 18989 1717 1 3 . 1 1 55 55 THR CB C 55 70.200 70.200 68.807 1.393 18989 1718 1 3 . 1 1 56 56 GLY N N 56 110.500 110.500 114.437 -3.937 18989 1719 1 3 . 1 1 56 56 GLY C C 56 171.100 171.100 172.521 -1.421 18989 1720 1 3 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.583 -0.283 18989 1721 1 3 . 1 1 57 57 ARG N N 57 123.800 123.800 126.883 -3.083 18989 1722 1 3 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.440 0.220 18989 1723 1 3 . 1 1 57 57 ARG C C 57 172.900 172.900 174.912 -2.012 18989 1724 1 3 . 1 1 57 57 ARG CA C 57 55.300 55.300 53.803 1.497 18989 1725 1 3 . 1 1 57 57 ARG CB C 57 32.500 32.500 30.417 2.083 18989 1726 1 3 . 1 1 58 58 ASN N N 58 127.200 127.200 125.096 2.104 18989 1727 1 3 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.263 -0.203 18989 1728 1 3 . 1 1 58 58 ASN C C 58 173.100 173.100 174.223 -1.123 18989 1729 1 3 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.382 -1.482 18989 1730 1 3 . 1 1 58 58 ASN CB C 58 38.800 38.800 40.386 -1.586 18989 1731 1 3 . 1 1 59 59 VAL N N 59 121.400 121.400 124.991 -3.591 18989 1732 1 3 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.578 0.102 18989 1733 1 3 . 1 1 59 59 VAL C C 59 175.100 175.100 174.299 0.801 18989 1734 1 3 . 1 1 59 59 VAL CA C 59 62.400 62.400 59.944 2.456 18989 1735 1 3 . 1 1 59 59 VAL CB C 59 35.800 35.800 33.450 2.350 18989 1736 1 3 . 1 1 60 60 THR N N 60 118.000 118.000 121.590 -3.590 18989 1737 1 3 . 1 1 60 60 THR HA H 60 5.000 5.000 4.934 0.066 18989 1738 1 3 . 1 1 60 60 THR CA C 60 58.900 58.900 58.752 0.148 18989 1739 1 3 . 1 1 60 60 THR CB C 60 70.200 70.200 69.546 0.654 18989 1740 1 3 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.503 -0.223 18989 1741 1 3 . 1 1 61 61 PRO C C 61 177.700 177.700 176.197 1.503 18989 1742 1 3 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.301 1.199 18989 1743 1 3 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.670 0.130 18989 1744 1 3 . 1 1 62 62 GLU N N 62 111.700 111.700 117.571 -5.871 18989 1745 1 3 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.428 -0.148 18989 1746 1 3 . 1 1 62 62 GLU C C 62 176.500 176.500 176.347 0.153 18989 1747 1 3 . 1 1 62 62 GLU CA C 62 57.600 57.600 55.986 1.614 18989 1748 1 3 . 1 1 62 62 GLU CB C 62 31.000 31.000 31.209 -0.209 18989 1749 1 3 . 1 1 63 63 ARG N N 63 118.000 118.000 122.845 -4.845 18989 1750 1 3 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.772 -0.082 18989 1751 1 3 . 1 1 63 63 ARG C C 63 174.000 174.000 174.451 -0.451 18989 1752 1 3 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.758 0.942 18989 1753 1 3 . 1 1 63 63 ARG CB C 63 33.700 33.700 32.422 1.278 18989 1754 1 3 . 1 1 64 64 THR N N 64 120.700 120.700 118.761 1.939 18989 1755 1 3 . 1 1 64 64 THR HA H 64 5.780 5.780 5.134 0.646 18989 1756 1 3 . 1 1 64 64 THR C C 64 174.000 174.000 173.901 0.099 18989 1757 1 3 . 1 1 64 64 THR CA C 64 61.600 61.600 61.146 0.454 18989 1758 1 3 . 1 1 64 64 THR CB C 64 71.700 71.700 70.221 1.479 18989 1759 1 3 . 1 1 65 65 TRP N N 65 128.000 128.000 127.855 0.145 18989 1760 1 3 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.799 0.371 18989 1761 1 3 . 1 1 65 65 TRP C C 65 172.800 172.800 173.914 -1.114 18989 1762 1 3 . 1 1 65 65 TRP CA C 65 57.300 57.300 57.134 0.166 18989 1763 1 3 . 1 1 65 65 TRP CB C 65 32.900 32.900 32.839 0.061 18989 1764 1 3 . 1 1 66 66 GLU N N 66 120.800 120.800 126.720 -5.920 18989 1765 1 3 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.681 0.909 18989 1766 1 3 . 1 1 66 66 GLU C C 66 177.300 177.300 175.737 1.563 18989 1767 1 3 . 1 1 66 66 GLU CA C 66 54.200 54.200 55.741 -1.541 18989 1768 1 3 . 1 1 66 66 GLU CB C 66 32.700 32.700 31.481 1.219 18989 1769 1 3 . 1 1 67 67 THR N N 67 113.700 113.700 119.145 -5.445 18989 1770 1 3 . 1 1 67 67 THR HA H 67 4.750 4.750 4.836 -0.086 18989 1771 1 3 . 1 1 67 67 THR C C 67 173.300 173.300 174.208 -0.908 18989 1772 1 3 . 1 1 67 67 THR CA C 67 59.500 59.500 61.408 -1.908 18989 1773 1 3 . 1 1 67 67 THR CB C 67 71.500 71.500 70.647 0.853 18989 1774 1 3 . 1 1 68 68 ARG N N 68 125.300 125.300 128.615 -3.315 18989 1775 1 3 . 1 1 68 68 ARG HA H 68 4.860 4.860 5.129 -0.269 18989 1776 1 3 . 1 1 68 68 ARG C C 68 175.700 175.700 176.056 -0.356 18989 1777 1 3 . 1 1 68 68 ARG CA C 68 55.000 55.000 55.029 -0.029 18989 1778 1 3 . 1 1 68 68 ARG CB C 68 31.700 31.700 30.534 1.166 18989 1779 1 3 . 1 1 69 69 SER N N 69 122.000 122.000 122.186 -0.186 18989 1780 1 3 . 1 1 69 69 SER HA H 69 5.570 5.570 5.067 0.503 18989 1781 1 3 . 1 1 69 69 SER C C 69 172.200 172.200 174.006 -1.806 18989 1782 1 3 . 1 1 69 69 SER CA C 69 58.000 58.000 58.562 -0.562 18989 1783 1 3 . 1 1 69 69 SER CB C 69 66.700 66.700 64.288 2.412 18989 1784 1 3 . 1 1 70 70 GLU N N 70 121.900 121.900 127.838 -5.938 18989 1785 1 3 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.972 0.228 18989 1786 1 3 . 1 1 70 70 GLU C C 70 176.000 176.000 176.212 -0.212 18989 1787 1 3 . 1 1 70 70 GLU CA C 70 53.600 53.600 55.672 -2.072 18989 1788 1 3 . 1 1 70 70 GLU CB C 70 34.700 34.700 31.301 3.399 18989 1789 1 3 . 1 1 71 71 VAL N N 71 126.600 126.600 126.517 0.083 18989 1790 1 3 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.210 0.041 18989 1791 1 3 . 1 1 71 71 VAL C C 71 177.600 177.600 176.724 0.876 18989 1792 1 3 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.867 0.933 18989 1793 1 3 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.501 1.699 18989 1794 1 3 . 1 1 72 72 ILE N N 72 123.200 123.200 125.957 -2.757 18989 1795 1 3 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.279 0.451 18989 1796 1 3 . 1 1 72 72 ILE C C 72 175.200 175.200 175.722 -0.522 18989 1797 1 3 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.553 -0.553 18989 1798 1 3 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.659 0.941 18989 1799 1 3 . 1 1 73 73 VAL N N 73 121.700 121.700 119.041 2.659 18989 1800 1 3 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.343 -0.143 18989 1801 1 3 . 1 1 73 73 VAL C C 73 172.000 172.000 173.460 -1.460 18989 1802 1 3 . 1 1 73 73 VAL CA C 73 62.100 62.100 60.993 1.107 18989 1803 1 3 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.306 -0.606 18989 1804 1 3 . 1 1 74 74 ALA N N 74 131.100 131.100 129.972 1.128 18989 1805 1 3 . 1 1 74 74 ALA HA H 74 5.320 5.320 4.627 0.693 18989 1806 1 3 . 1 1 74 74 ALA C C 74 174.900 174.900 175.784 -0.884 18989 1807 1 3 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.587 1.113 18989 1808 1 3 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.540 -2.240 18989 1809 1 3 . 1 1 75 75 GLU N N 75 126.100 126.100 125.137 0.963 18989 1810 1 3 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.884 0.086 18989 1811 1 3 . 1 1 75 75 GLU CA C 75 52.100 52.100 53.034 -0.934 18989 1812 1 3 . 1 1 75 75 GLU CB C 75 31.300 31.300 30.738 0.562 18989 1813 1 3 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.333 -1.713 18989 1814 1 3 . 1 1 76 76 PRO CA C 76 63.900 63.900 64.111 -0.211 18989 1815 1 3 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.930 -0.031 18989 1816 1 3 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.440 -0.680 18989 1817 1 3 . 1 1 77 77 ASN C C 77 172.700 172.700 173.966 -1.266 18989 1818 1 3 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.437 1.663 18989 1819 1 3 . 1 1 77 77 ASN CB C 77 36.900 36.900 38.958 -2.058 18989 1820 1 3 . 1 1 78 78 ARG N N 78 115.300 115.300 121.273 -5.973 18989 1821 1 3 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.609 0.291 18989 1822 1 3 . 1 1 78 78 ARG C C 78 176.000 176.000 173.671 2.329 18989 1823 1 3 . 1 1 78 78 ARG CA C 78 58.300 58.300 57.333 0.967 18989 1824 1 3 . 1 1 78 78 ARG CB C 78 34.000 34.000 32.285 1.715 18989 1825 1 3 . 1 1 79 79 CYS N N 79 117.700 117.700 117.235 0.465 18989 1826 1 3 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.210 0.460 18989 1827 1 3 . 1 1 79 79 CYS C C 79 172.200 172.200 172.224 -0.024 18989 1828 1 3 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.130 0.070 18989 1829 1 3 . 1 1 79 79 CYS CB C 79 29.500 29.500 29.966 -0.466 18989 1830 1 3 . 1 1 80 80 PHE N N 80 129.500 129.500 125.933 3.567 18989 1831 1 3 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.272 0.248 18989 1832 1 3 . 1 1 80 80 PHE C C 80 173.400 173.400 173.942 -0.542 18989 1833 1 3 . 1 1 80 80 PHE CA C 80 57.900 57.900 57.399 0.501 18989 1834 1 3 . 1 1 80 80 PHE CB C 80 43.800 43.800 43.331 0.469 18989 1835 1 3 . 1 1 81 81 GLY N N 81 114.500 114.500 114.895 -0.395 18989 1836 1 3 . 1 1 81 81 GLY C C 81 171.900 171.900 172.297 -0.397 18989 1837 1 3 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.395 2.205 18989 1838 1 3 . 1 1 82 82 TRP N N 82 121.700 121.700 122.535 -0.835 18989 1839 1 3 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.733 0.057 18989 1840 1 3 . 1 1 82 82 TRP C C 82 171.500 171.500 174.238 -2.738 18989 1841 1 3 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.203 3.197 18989 1842 1 3 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.128 1.772 18989 1843 1 3 . 1 1 83 83 SER N N 83 113.600 113.600 117.156 -3.556 18989 1844 1 3 . 1 1 83 83 SER HA H 83 5.680 5.680 4.897 0.783 18989 1845 1 3 . 1 1 83 83 SER C C 83 174.500 174.500 174.523 -0.023 18989 1846 1 3 . 1 1 83 83 SER CA C 83 54.800 54.800 56.751 -1.951 18989 1847 1 3 . 1 1 83 83 SER CB C 83 66.700 66.700 64.604 2.096 18989 1848 1 3 . 1 1 84 84 VAL N N 84 125.400 125.400 127.619 -2.219 18989 1849 1 3 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.242 0.608 18989 1850 1 3 . 1 1 84 84 VAL C C 84 176.500 176.500 176.002 0.498 18989 1851 1 3 . 1 1 84 84 VAL CA C 84 61.400 61.400 63.641 -2.240 18989 1852 1 3 . 1 1 84 84 VAL CB C 84 34.600 34.600 30.849 3.751 18989 1853 1 3 . 1 1 85 85 THR N N 85 120.300 120.300 120.932 -0.632 18989 1854 1 3 . 1 1 85 85 THR HA H 85 3.720 3.720 3.929 -0.209 18989 1855 1 3 . 1 1 85 85 THR C C 85 173.500 173.500 175.024 -1.524 18989 1856 1 3 . 1 1 85 85 THR CA C 85 62.900 62.900 64.452 -1.552 18989 1857 1 3 . 1 1 85 85 THR CB C 85 66.600 66.600 68.904 -2.304 18989 1858 1 3 . 1 1 86 86 ASP N N 86 119.000 119.000 124.112 -5.112 18989 1859 1 3 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.360 -0.140 18989 1860 1 3 . 1 1 86 86 ASP C C 86 177.100 177.100 176.468 0.632 18989 1861 1 3 . 1 1 86 86 ASP CA C 86 54.700 54.700 56.529 -1.829 18989 1862 1 3 . 1 1 86 86 ASP CB C 86 39.700 39.700 41.239 -1.539 18989 1863 1 3 . 1 1 87 87 GLY N N 87 103.400 103.400 105.608 -2.208 18989 1864 1 3 . 1 1 87 87 GLY C C 87 175.000 175.000 172.671 2.329 18989 1865 1 3 . 1 1 87 87 GLY CA C 87 45.600 45.600 44.565 1.035 18989 1866 1 3 . 1 1 88 88 ASN N N 88 122.300 122.300 121.067 1.233 18989 1867 1 3 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.918 -0.808 18989 1868 1 3 . 1 1 88 88 ASN C C 88 174.500 174.500 173.712 0.788 18989 1869 1 3 . 1 1 88 88 ASN CA C 88 55.600 55.600 53.771 1.829 18989 1870 1 3 . 1 1 88 88 ASN CB C 88 38.200 38.200 41.032 -2.832 18989 1871 1 3 . 1 1 89 89 VAL N N 89 115.700 115.700 119.991 -4.291 18989 1872 1 3 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.605 0.225 18989 1873 1 3 . 1 1 89 89 VAL C C 89 174.700 174.700 174.358 0.342 18989 1874 1 3 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.289 -1.689 18989 1875 1 3 . 1 1 89 89 VAL CB C 89 37.000 37.000 34.775 2.225 18989 1876 1 3 . 1 1 90 90 LYS N N 90 123.600 123.600 122.837 0.763 18989 1877 1 3 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.609 0.401 18989 1878 1 3 . 1 1 90 90 LYS C C 90 174.100 174.100 174.119 -0.019 18989 1879 1 3 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.297 -0.397 18989 1880 1 3 . 1 1 90 90 LYS CB C 90 36.300 36.300 36.081 0.219 18989 1881 1 3 . 1 1 91 91 TRP N N 91 124.600 124.600 125.318 -0.718 18989 1882 1 3 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.855 0.245 18989 1883 1 3 . 1 1 91 91 TRP C C 91 174.600 174.600 174.559 0.041 18989 1884 1 3 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.719 -0.819 18989 1885 1 3 . 1 1 91 91 TRP CB C 91 30.800 30.800 32.480 -1.681 18989 1886 1 3 . 1 1 92 92 ILE N N 92 118.000 118.000 120.939 -2.939 18989 1887 1 3 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.417 0.143 18989 1888 1 3 . 1 1 92 92 ILE C C 92 176.300 176.300 174.137 2.163 18989 1889 1 3 . 1 1 92 92 ILE CA C 92 60.800 60.800 59.340 1.460 18989 1890 1 3 . 1 1 92 92 ILE CB C 92 42.100 42.100 39.623 2.477 18989 1891 1 3 . 1 1 93 93 TYR N N 93 127.700 127.700 128.089 -0.389 18989 1892 1 3 . 1 1 93 93 TYR HA H 93 5.850 5.850 4.917 0.933 18989 1893 1 3 . 1 1 93 93 TYR C C 93 175.300 175.300 175.478 -0.178 18989 1894 1 3 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.960 0.140 18989 1895 1 3 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.686 2.114 18989 1896 1 3 . 1 1 94 94 SER N N 94 117.900 117.900 119.121 -1.221 18989 1897 1 3 . 1 1 94 94 SER HA H 94 5.510 5.510 5.003 0.507 18989 1898 1 3 . 1 1 94 94 SER C C 94 172.700 172.700 173.382 -0.682 18989 1899 1 3 . 1 1 94 94 SER CA C 94 57.300 57.300 57.675 -0.375 18989 1900 1 3 . 1 1 94 94 SER CB C 94 65.600 65.600 65.042 0.558 18989 1901 1 3 . 1 1 95 95 MET N N 95 119.600 119.600 119.411 0.189 18989 1902 1 3 . 1 1 95 95 MET HA H 95 5.840 5.840 5.489 0.351 18989 1903 1 3 . 1 1 95 95 MET C C 95 173.800 173.800 174.192 -0.392 18989 1904 1 3 . 1 1 95 95 MET CA C 95 54.200 54.200 54.935 -0.736 18989 1905 1 3 . 1 1 95 95 MET CB C 95 37.400 37.400 36.203 1.196 18989 1906 1 3 . 1 1 96 96 GLU N N 96 119.100 119.100 124.518 -5.418 18989 1907 1 3 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.883 0.087 18989 1908 1 3 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.116 -0.216 18989 1909 1 3 . 1 1 96 96 GLU CB C 96 33.000 33.000 31.137 1.863 18989 1910 1 3 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.568 0.252 18989 1911 1 3 . 1 1 97 97 PRO C C 97 176.300 176.300 176.258 0.042 18989 1912 1 3 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.707 0.393 18989 1913 1 3 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.317 1.383 18989 1914 1 3 . 1 1 98 98 LEU N N 98 122.900 122.900 125.910 -3.010 18989 1915 1 3 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.340 0.191 18989 1916 1 3 . 1 1 98 98 LEU C C 98 176.200 176.200 177.387 -1.187 18989 1917 1 3 . 1 1 98 98 LEU CA C 98 54.200 54.200 54.154 0.046 18989 1918 1 3 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.770 1.330 18989 1919 1 3 . 1 1 99 99 GLU N N 99 124.700 124.700 118.319 6.381 18989 1920 1 3 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.234 -0.374 18989 1921 1 3 . 1 1 99 99 GLU C C 99 176.900 176.900 176.764 0.136 18989 1922 1 3 . 1 1 99 99 GLU CA C 99 59.500 59.500 57.641 1.859 18989 1923 1 3 . 1 1 99 99 GLU CB C 99 28.000 28.000 30.008 -2.008 18989 1924 1 3 . 1 1 100 100 GLU N N 100 118.200 118.200 117.656 0.544 18989 1925 1 3 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.404 0.026 18989 1926 1 3 . 1 1 100 100 GLU C C 100 176.200 176.200 176.525 -0.325 18989 1927 1 3 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.124 0.276 18989 1928 1 3 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.587 -0.687 18989 1929 1 3 . 1 1 101 101 GLY N N 101 110.100 110.100 107.274 2.826 18989 1930 1 3 . 1 1 101 101 GLY C C 101 174.100 174.100 172.704 1.396 18989 1931 1 3 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.131 -0.131 18989 1932 1 3 . 1 1 102 102 THR N N 102 120.200 120.200 117.467 2.733 18989 1933 1 3 . 1 1 102 102 THR HA H 102 4.850 4.850 4.976 -0.126 18989 1934 1 3 . 1 1 102 102 THR C C 102 172.700 172.700 174.111 -1.411 18989 1935 1 3 . 1 1 102 102 THR CA C 102 63.700 63.700 61.959 1.740 18989 1936 1 3 . 1 1 102 102 THR CB C 102 73.600 73.600 71.481 2.119 18989 1937 1 3 . 1 1 103 103 VAL N N 103 125.600 125.600 128.795 -3.195 18989 1938 1 3 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.574 0.336 18989 1939 1 3 . 1 1 103 103 VAL C C 103 175.000 175.000 175.304 -0.304 18989 1940 1 3 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.772 -0.472 18989 1941 1 3 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.191 1.509 18989 1942 1 3 . 1 1 104 104 LEU N N 104 133.900 133.900 131.323 2.577 18989 1943 1 3 . 1 1 104 104 LEU HA H 104 5.140 5.140 5.079 0.061 18989 1944 1 3 . 1 1 104 104 LEU C C 104 173.800 173.800 175.751 -1.951 18989 1945 1 3 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.391 -1.091 18989 1946 1 3 . 1 1 104 104 LEU CB C 104 46.100 46.100 43.302 2.798 18989 1947 1 3 . 1 1 105 105 THR N N 105 124.400 124.400 123.064 1.336 18989 1948 1 3 . 1 1 105 105 THR HA H 105 5.210 5.210 5.061 0.149 18989 1949 1 3 . 1 1 105 105 THR C C 105 173.500 173.500 173.210 0.290 18989 1950 1 3 . 1 1 105 105 THR CA C 105 61.500 61.500 61.445 0.055 18989 1951 1 3 . 1 1 105 105 THR CB C 105 71.100 71.100 70.388 0.712 18989 1952 1 3 . 1 1 106 106 GLU N N 106 126.900 126.900 128.171 -1.271 18989 1953 1 3 . 1 1 106 106 GLU HA H 106 5.360 5.360 5.173 0.187 18989 1954 1 3 . 1 1 106 106 GLU C C 106 173.400 173.400 174.935 -1.535 18989 1955 1 3 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.113 0.287 18989 1956 1 3 . 1 1 106 106 GLU CB C 106 32.000 32.000 31.981 0.019 18989 1957 1 3 . 1 1 107 107 SER N N 107 120.800 120.800 121.859 -1.059 18989 1958 1 3 . 1 1 107 107 SER HA H 107 5.470 5.470 4.829 0.641 18989 1959 1 3 . 1 1 107 107 SER C C 107 171.600 171.600 172.874 -1.274 18989 1960 1 3 . 1 1 107 107 SER CA C 107 56.000 56.000 57.151 -1.151 18989 1961 1 3 . 1 1 107 107 SER CB C 107 66.700 66.700 64.073 2.627 18989 1962 1 3 . 1 1 108 108 TRP N N 108 124.600 124.600 130.664 -6.064 18989 1963 1 3 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.814 -0.134 18989 1964 1 3 . 1 1 108 108 TRP C C 108 175.000 175.000 174.401 0.599 18989 1965 1 3 . 1 1 108 108 TRP CA C 108 55.900 55.900 55.853 0.047 18989 1966 1 3 . 1 1 108 108 TRP CB C 108 33.600 33.600 31.672 1.928 18989 1967 1 3 . 1 1 109 109 GLU N N 109 127.200 127.200 124.774 2.426 18989 1968 1 3 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.410 0.090 18989 1969 1 3 . 1 1 109 109 GLU C C 109 172.300 172.300 173.518 -1.218 18989 1970 1 3 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.228 -0.128 18989 1971 1 3 . 1 1 109 109 GLU CB C 109 32.900 32.900 34.310 -1.410 18989 1972 1 3 . 1 1 110 110 PHE N N 110 129.400 129.400 122.344 7.056 18989 1973 1 3 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.960 -0.270 18989 1974 1 3 . 1 1 110 110 PHE C C 110 177.100 177.100 175.015 2.085 18989 1975 1 3 . 1 1 110 110 PHE CA C 110 54.000 54.000 55.624 -1.624 18989 1976 1 3 . 1 1 110 110 PHE CB C 110 38.500 38.500 42.548 -4.048 18989 1977 1 3 . 1 1 111 111 THR N N 111 117.800 117.800 122.658 -4.858 18989 1978 1 3 . 1 1 111 111 THR HA H 111 4.510 4.510 4.332 0.178 18989 1979 1 3 . 1 1 111 111 THR CA C 111 61.800 61.800 59.629 2.171 18989 1980 1 3 . 1 1 111 111 THR CB C 111 66.100 66.100 69.770 -3.670 18989 1981 1 3 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.036 -0.046 18989 1982 1 3 . 1 1 113 113 LYS C C 113 179.200 179.200 179.094 0.106 18989 1983 1 3 . 1 1 114 114 GLY N N 114 110.100 110.100 106.976 3.124 18989 1984 1 3 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.428 0.672 18989 1985 1 3 . 1 1 115 115 GLN N N 115 121.100 121.100 120.828 0.272 18989 1986 1 3 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.650 -0.640 18989 1987 1 3 . 1 1 115 115 GLN C C 115 178.000 178.000 178.357 -0.357 18989 1988 1 3 . 1 1 115 115 GLN CA C 115 59.900 59.900 59.162 0.738 18989 1989 1 3 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.751 0.649 18989 1990 1 3 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.333 -0.193 18989 1991 1 3 . 1 1 116 116 ARG C C 116 177.900 177.900 178.735 -0.835 18989 1992 1 3 . 1 1 116 116 ARG CA C 116 59.500 59.500 58.441 1.059 18989 1993 1 3 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.752 0.248 18989 1994 1 3 . 1 1 117 117 PHE N N 117 120.800 120.800 121.189 -0.389 18989 1995 1 3 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.224 0.246 18989 1996 1 3 . 1 1 117 117 PHE C C 117 178.100 178.100 176.775 1.325 18989 1997 1 3 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.236 -0.036 18989 1998 1 3 . 1 1 117 117 PHE CB C 117 39.000 39.000 39.034 -0.034 18989 1999 1 3 . 1 1 118 118 PHE N N 118 119.600 119.600 117.395 2.205 18989 2000 1 3 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.246 -0.016 18989 2001 1 3 . 1 1 118 118 PHE C C 118 178.500 178.500 177.638 0.862 18989 2002 1 3 . 1 1 118 118 PHE CA C 118 62.300 62.300 62.218 0.082 18989 2003 1 3 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.674 0.526 18989 2004 1 3 . 1 1 119 119 HIS N N 119 120.900 120.900 118.882 2.018 18989 2005 1 3 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.459 0.161 18989 2006 1 3 . 1 1 119 119 HIS C C 119 178.500 178.500 177.254 1.246 18989 2007 1 3 . 1 1 119 119 HIS CA C 119 59.900 59.900 58.337 1.563 18989 2008 1 3 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.190 -0.490 18989 2009 1 3 . 1 1 120 120 ASP N N 120 120.400 120.400 120.140 0.260 18989 2010 1 3 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.344 -0.014 18989 2011 1 3 . 1 1 120 120 ASP C C 120 177.500 177.500 177.796 -0.296 18989 2012 1 3 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.409 0.791 18989 2013 1 3 . 1 1 120 120 ASP CB C 120 40.500 40.500 41.068 -0.568 18989 2014 1 3 . 1 1 121 121 LYS N N 121 118.100 118.100 118.848 -0.748 18989 2015 1 3 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.915 -0.105 18989 2016 1 3 . 1 1 121 121 LYS C C 121 178.200 178.200 178.229 -0.029 18989 2017 1 3 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.356 0.744 18989 2018 1 3 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.111 1.089 18989 2019 1 3 . 1 1 122 122 PHE N N 122 112.800 112.800 116.095 -3.295 18989 2020 1 3 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.487 0.193 18989 2021 1 3 . 1 1 122 122 PHE C C 122 177.600 177.600 177.067 0.533 18989 2022 1 3 . 1 1 122 122 PHE CA C 122 58.100 58.100 59.329 -1.229 18989 2023 1 3 . 1 1 122 122 PHE CB C 122 40.000 40.000 40.474 -0.474 18989 2024 1 3 . 1 1 123 123 GLY N N 123 112.200 112.200 108.757 3.443 18989 2025 1 3 . 1 1 123 123 GLY CA C 123 47.300 47.300 47.159 0.141 18989 2026 1 3 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.509 0.071 18989 2027 1 3 . 1 1 124 124 ASP C C 124 177.700 177.700 178.272 -0.572 18989 2028 1 3 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.506 0.294 18989 2029 1 3 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.857 -0.757 18989 2030 1 3 . 1 1 125 125 LYS N N 125 118.400 118.400 118.515 -0.115 18989 2031 1 3 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.296 0.374 18989 2032 1 3 . 1 1 125 125 LYS C C 125 177.100 177.100 178.136 -1.036 18989 2033 1 3 . 1 1 125 125 LYS CA C 125 56.000 56.000 57.383 -1.383 18989 2034 1 3 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.375 -0.075 18989 2035 1 3 . 1 1 126 126 SER N N 126 116.600 116.600 116.743 -0.143 18989 2036 1 3 . 1 1 126 126 SER HA H 126 3.830 3.830 4.411 -0.581 18989 2037 1 3 . 1 1 126 126 SER C C 126 175.700 175.700 175.796 -0.096 18989 2038 1 3 . 1 1 126 126 SER CA C 126 62.700 62.700 60.597 2.103 18989 2039 1 3 . 1 1 126 126 SER CB C 126 63.000 63.000 62.651 0.348 18989 2040 1 3 . 1 1 127 127 ILE N N 127 122.300 122.300 121.529 0.771 18989 2041 1 3 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.655 0.155 18989 2042 1 3 . 1 1 127 127 ILE C C 127 178.500 178.500 177.348 1.152 18989 2043 1 3 . 1 1 127 127 ILE CA C 127 65.000 65.000 64.454 0.546 18989 2044 1 3 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.678 -0.878 18989 2045 1 3 . 1 1 128 128 GLU N N 128 120.500 120.500 119.186 1.314 18989 2046 1 3 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.832 0.268 18989 2047 1 3 . 1 1 128 128 GLU C C 128 179.400 179.400 179.172 0.228 18989 2048 1 3 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.656 -0.356 18989 2049 1 3 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.090 0.610 18989 2050 1 3 . 1 1 129 129 GLU N N 129 118.800 118.800 118.303 0.497 18989 2051 1 3 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.855 0.055 18989 2052 1 3 . 1 1 129 129 GLU C C 129 179.900 179.900 178.967 0.933 18989 2053 1 3 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.867 0.133 18989 2054 1 3 . 1 1 129 129 GLU CB C 129 29.200 29.200 28.677 0.523 18989 2055 1 3 . 1 1 130 130 ILE N N 130 122.700 122.700 117.174 5.526 18989 2056 1 3 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.697 -0.217 18989 2057 1 3 . 1 1 130 130 ILE C C 130 177.600 177.600 177.935 -0.335 18989 2058 1 3 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.445 1.955 18989 2059 1 3 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.435 0.865 18989 2060 1 3 . 1 1 131 131 GLU N N 131 120.100 120.100 120.674 -0.574 18989 2061 1 3 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.917 0.473 18989 2062 1 3 . 1 1 131 131 GLU C C 131 178.800 178.800 178.809 -0.009 18989 2063 1 3 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.244 -0.644 18989 2064 1 3 . 1 1 131 131 GLU CB C 131 28.900 28.900 28.777 0.123 18989 2065 1 3 . 1 1 132 132 LYS N N 132 118.300 118.300 120.021 -1.721 18989 2066 1 3 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.882 0.078 18989 2067 1 3 . 1 1 132 132 LYS C C 132 180.400 180.400 179.236 1.164 18989 2068 1 3 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.376 0.924 18989 2069 1 3 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.395 0.305 18989 2070 1 3 . 1 1 133 133 ARG N N 133 118.400 118.400 117.388 1.012 18989 2071 1 3 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.859 0.201 18989 2072 1 3 . 1 1 133 133 ARG C C 133 178.600 178.600 178.522 0.078 18989 2073 1 3 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.954 -0.954 18989 2074 1 3 . 1 1 133 133 ARG CB C 133 29.400 29.400 30.067 -0.667 18989 2075 1 3 . 1 1 134 134 ARG N N 134 122.500 122.500 120.799 1.701 18989 2076 1 3 . 1 1 134 134 ARG HA H 134 3.610 3.610 3.998 -0.388 18989 2077 1 3 . 1 1 134 134 ARG C C 134 177.600 177.600 178.500 -0.900 18989 2078 1 3 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.222 0.178 18989 2079 1 3 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.127 0.873 18989 2080 1 3 . 1 1 135 135 LEU N N 135 118.200 118.200 118.786 -0.586 18989 2081 1 3 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.898 -0.088 18989 2082 1 3 . 1 1 135 135 LEU C C 135 179.700 179.700 178.569 1.131 18989 2083 1 3 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.357 0.343 18989 2084 1 3 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.574 -0.174 18989 2085 1 3 . 1 1 136 136 ALA N N 136 120.400 120.400 120.672 -0.272 18989 2086 1 3 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.972 0.058 18989 2087 1 3 . 1 1 136 136 ALA C C 136 180.500 180.500 178.379 2.121 18989 2088 1 3 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.505 0.195 18989 2089 1 3 . 1 1 136 136 ALA CB C 136 18.100 18.100 18.192 -0.092 18989 2090 1 3 . 1 1 137 137 ALA N N 137 123.200 123.200 120.100 3.100 18989 2091 1 3 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.867 0.033 18989 2092 1 3 . 1 1 137 137 ALA C C 137 178.700 178.700 179.508 -0.808 18989 2093 1 3 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.391 0.909 18989 2094 1 3 . 1 1 137 137 ALA CB C 137 15.800 15.800 18.360 -2.560 18989 2095 1 3 . 1 1 138 138 ILE N N 138 115.400 115.400 117.850 -2.450 18989 2096 1 3 . 1 1 138 138 ILE HA H 138 2.830 2.830 2.942 -0.112 18989 2097 1 3 . 1 1 138 138 ILE C C 138 177.800 177.800 177.779 0.021 18989 2098 1 3 . 1 1 138 138 ILE CA C 138 64.200 64.200 63.400 0.800 18989 2099 1 3 . 1 1 138 138 ILE CB C 138 37.400 37.400 36.796 0.604 18989 2100 1 3 . 1 1 139 139 THR N N 139 109.500 109.500 111.564 -2.064 18989 2101 1 3 . 1 1 139 139 THR HA H 139 4.150 4.150 4.336 -0.186 18989 2102 1 3 . 1 1 139 139 THR C C 139 177.300 177.300 176.422 0.878 18989 2103 1 3 . 1 1 139 139 THR CA C 139 64.000 64.000 64.810 -0.810 18989 2104 1 3 . 1 1 139 139 THR CB C 139 69.600 69.600 69.546 0.054 18989 2105 1 3 . 1 1 140 140 GLY N N 140 110.800 110.800 110.183 0.617 18989 2106 1 3 . 1 1 140 140 GLY C C 140 176.700 176.700 176.014 0.686 18989 2107 1 3 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.756 0.044 18989 2108 1 3 . 1 1 141 141 ILE N N 141 122.700 122.700 122.256 0.444 18989 2109 1 3 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.036 0.124 18989 2110 1 3 . 1 1 141 141 ILE CA C 141 68.300 68.300 67.066 1.234 18989 2111 1 3 . 1 1 141 141 ILE CB C 141 36.300 36.300 35.949 0.351 18989 2112 1 3 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.472 -0.122 18989 2113 1 3 . 1 1 142 142 PRO C C 142 179.300 179.300 179.168 0.132 18989 2114 1 3 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.620 1.080 18989 2115 1 3 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.018 0.182 18989 2116 1 3 . 1 1 143 143 GLU N N 143 113.900 113.900 119.289 -5.389 18989 2117 1 3 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.054 0.116 18989 2118 1 3 . 1 1 143 143 GLU C C 143 179.600 179.600 178.816 0.784 18989 2119 1 3 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.684 -0.383 18989 2120 1 3 . 1 1 143 143 GLU CB C 143 30.000 30.000 29.358 0.642 18989 2121 1 3 . 1 1 144 144 THR N N 144 119.900 119.900 117.555 2.345 18989 2122 1 3 . 1 1 144 144 THR HA H 144 4.290 4.290 4.100 0.190 18989 2123 1 3 . 1 1 144 144 THR C C 144 175.800 175.800 176.725 -0.925 18989 2124 1 3 . 1 1 144 144 THR CA C 144 67.000 67.000 66.964 0.036 18989 2125 1 3 . 1 1 144 144 THR CB C 144 69.500 69.500 68.575 0.925 18989 2126 1 3 . 1 1 145 145 LEU N N 145 120.300 120.300 121.547 -1.247 18989 2127 1 3 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.022 -0.112 18989 2128 1 3 . 1 1 145 145 LEU C C 145 178.700 178.700 178.716 -0.016 18989 2129 1 3 . 1 1 145 145 LEU CA C 145 58.600 58.600 58.111 0.489 18989 2130 1 3 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.848 -0.348 18989 2131 1 3 . 1 1 146 146 VAL N N 146 117.600 117.600 117.992 -0.392 18989 2132 1 3 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.734 -0.054 18989 2133 1 3 . 1 1 146 146 VAL C C 146 177.700 177.700 178.145 -0.445 18989 2134 1 3 . 1 1 146 146 VAL CA C 146 66.100 66.100 65.954 0.146 18989 2135 1 3 . 1 1 146 146 VAL CB C 146 32.000 32.000 31.473 0.527 18989 2136 1 3 . 1 1 147 147 ALA N N 147 123.600 123.600 123.594 0.006 18989 2137 1 3 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.008 0.223 18989 2138 1 3 . 1 1 147 147 ALA C C 147 180.400 180.400 179.560 0.840 18989 2139 1 3 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.412 0.188 18989 2140 1 3 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.074 0.726 18989 2141 1 3 . 1 1 148 148 ILE N N 148 119.600 119.600 118.846 0.754 18989 2142 1 3 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.576 -0.266 18989 2143 1 3 . 1 1 148 148 ILE C C 148 177.100 177.100 178.084 -0.984 18989 2144 1 3 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.372 0.928 18989 2145 1 3 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.695 0.505 18989 2146 1 3 . 1 1 149 149 GLN N N 149 119.200 119.200 119.628 -0.428 18989 2147 1 3 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.817 -0.147 18989 2148 1 3 . 1 1 149 149 GLN C C 149 178.000 178.000 178.041 -0.041 18989 2149 1 3 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.485 0.615 18989 2150 1 3 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.696 0.904 18989 2151 1 3 . 1 1 150 150 ARG N N 150 120.500 120.500 119.642 0.858 18989 2152 1 3 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.326 -0.276 18989 2153 1 3 . 1 1 150 150 ARG C C 150 179.000 179.000 178.955 0.045 18989 2154 1 3 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.053 0.246 18989 2155 1 3 . 1 1 150 150 ARG CB C 150 30.000 30.000 30.175 -0.175 18989 2156 1 3 . 1 1 151 151 ILE N N 151 119.100 119.100 120.457 -1.357 18989 2157 1 3 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.799 -0.149 18989 2158 1 3 . 1 1 151 151 ILE C C 151 178.500 178.500 177.361 1.139 18989 2159 1 3 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.181 1.119 18989 2160 1 3 . 1 1 151 151 ILE CB C 151 39.000 39.000 38.068 0.932 18989 2161 1 3 . 1 1 152 152 LEU N N 152 117.100 117.100 119.905 -2.805 18989 2162 1 3 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.941 0.139 18989 2163 1 3 . 1 1 152 152 LEU C C 152 178.700 178.700 178.793 -0.093 18989 2164 1 3 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.566 -0.566 18989 2165 1 3 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.590 1.310 18989 2166 1 3 . 1 1 153 153 GLU N N 153 117.800 117.800 119.882 -2.082 18989 2167 1 3 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.973 0.197 18989 2168 1 3 . 1 1 153 153 GLU C C 153 178.300 178.300 179.144 -0.844 18989 2169 1 3 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.501 -0.801 18989 2170 1 3 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.591 -0.291 18989 2171 1 3 . 1 1 154 154 VAL N N 154 119.500 119.500 119.049 0.451 18989 2172 1 3 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.520 0.480 18989 2173 1 3 . 1 1 154 154 VAL C C 154 177.500 177.500 177.550 -0.050 18989 2174 1 3 . 1 1 154 154 VAL CA C 154 64.700 64.700 65.782 -1.082 18989 2175 1 3 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.709 0.491 18989 2176 1 3 . 1 1 155 155 GLU N N 155 121.300 121.300 120.075 1.225 18989 2177 1 3 . 1 1 155 155 GLU HA H 155 4.180 4.180 3.609 0.571 18989 2178 1 3 . 1 1 155 155 GLU C C 155 177.600 177.600 178.617 -1.017 18989 2179 1 3 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.908 -0.908 18989 2180 1 3 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.248 0.452 18989 2181 1 3 . 1 1 156 156 LEU N N 156 120.800 120.800 117.547 3.253 18989 2182 1 3 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.192 0.038 18989 2183 1 3 . 1 1 156 156 LEU C C 156 178.000 178.000 178.511 -0.511 18989 2184 1 3 . 1 1 156 156 LEU CA C 156 56.200 56.200 56.815 -0.615 18989 2185 1 3 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.125 0.175 18989 2186 1 3 . 1 1 157 157 GLU N N 157 119.700 119.700 118.914 0.786 18989 2187 1 3 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.292 -0.162 18989 2188 1 3 . 1 1 157 157 GLU C C 157 177.000 177.000 176.634 0.366 18989 2189 1 3 . 1 1 157 157 GLU CA C 157 57.400 57.400 56.540 0.860 18989 2190 1 3 . 1 1 157 157 GLU CB C 157 29.800 29.800 31.492 -1.692 18989 2191 1 3 . 1 1 158 158 HIS N N 158 117.700 117.700 115.412 2.288 18989 2192 1 3 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.170 0.460 18989 2193 1 3 . 1 1 158 158 HIS C C 158 173.900 173.900 173.699 0.201 18989 2194 1 3 . 1 1 158 158 HIS CA C 158 56.000 56.000 56.316 -0.316 18989 2195 1 3 . 1 1 158 158 HIS CB C 158 30.000 30.000 29.215 0.785 18989 2196 1 3 . 1 1 159 159 HIS N N 159 125.200 125.200 117.618 7.582 18989 2197 1 3 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.462 -0.022 18989 2198 1 3 . 1 1 159 159 HIS CA C 159 57.300 57.300 56.611 0.689 18989 2199 1 3 . 1 1 159 159 HIS CB C 159 28.800 28.800 29.954 -1.155 18989 2200 1 4 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.430 -0.030 18989 2201 1 4 . 1 1 2 2 PRO CA C 2 62.400 62.400 63.045 -0.645 18989 2202 1 4 . 1 1 2 2 PRO CB C 2 32.800 32.800 31.549 1.251 18989 2203 1 4 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.305 0.175 18989 2204 1 4 . 1 1 3 3 LYS C C 3 176.600 176.600 175.821 0.779 18989 2205 1 4 . 1 1 3 3 LYS CA C 3 55.900 55.900 55.757 0.143 18989 2206 1 4 . 1 1 3 3 LYS CB C 3 34.200 34.200 33.102 1.098 18989 2207 1 4 . 1 1 4 4 SER N N 4 117.800 117.800 114.409 3.391 18989 2208 1 4 . 1 1 4 4 SER HA H 4 4.220 4.220 4.609 -0.389 18989 2209 1 4 . 1 1 4 4 SER C C 4 174.100 174.100 174.148 -0.048 18989 2210 1 4 . 1 1 4 4 SER CA C 4 59.700 59.700 58.315 1.385 18989 2211 1 4 . 1 1 4 4 SER CB C 4 63.700 63.700 64.504 -0.804 18989 2212 1 4 . 1 1 5 5 LEU N N 5 124.700 124.700 123.543 1.157 18989 2213 1 4 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.551 0.249 18989 2214 1 4 . 1 1 5 5 LEU C C 5 175.500 175.500 174.350 1.150 18989 2215 1 4 . 1 1 5 5 LEU CA C 5 54.000 54.000 55.135 -1.135 18989 2216 1 4 . 1 1 5 5 LEU CB C 5 43.200 43.200 44.947 -1.747 18989 2217 1 4 . 1 1 6 6 THR N N 6 111.200 111.200 117.903 -6.703 18989 2218 1 4 . 1 1 6 6 THR HA H 6 5.620 5.620 4.728 0.892 18989 2219 1 4 . 1 1 6 6 THR C C 6 174.500 174.500 172.471 2.029 18989 2220 1 4 . 1 1 6 6 THR CA C 6 59.700 59.700 61.877 -2.177 18989 2221 1 4 . 1 1 6 6 THR CB C 6 73.000 73.000 70.086 2.914 18989 2222 1 4 . 1 1 7 7 PHE N N 7 120.700 120.700 124.343 -3.643 18989 2223 1 4 . 1 1 7 7 PHE HA H 7 4.750 4.750 5.034 -0.284 18989 2224 1 4 . 1 1 7 7 PHE C C 7 172.100 172.100 173.550 -1.450 18989 2225 1 4 . 1 1 7 7 PHE CA C 7 59.300 59.300 56.879 2.421 18989 2226 1 4 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.399 0.101 18989 2227 1 4 . 1 1 8 8 GLU N N 8 122.100 122.100 119.343 2.757 18989 2228 1 4 . 1 1 8 8 GLU HA H 8 5.380 5.380 5.077 0.303 18989 2229 1 4 . 1 1 8 8 GLU C C 8 172.500 172.500 175.152 -2.652 18989 2230 1 4 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.607 -0.107 18989 2231 1 4 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.169 0.331 18989 2232 1 4 . 1 1 9 9 ASP N N 9 117.400 117.400 118.532 -1.132 18989 2233 1 4 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.910 -0.090 18989 2234 1 4 . 1 1 9 9 ASP C C 9 173.500 173.500 173.907 -0.407 18989 2235 1 4 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.993 -0.893 18989 2236 1 4 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.663 0.437 18989 2237 1 4 . 1 1 10 10 SER N N 10 113.600 113.600 116.631 -3.031 18989 2238 1 4 . 1 1 10 10 SER HA H 10 5.990 5.990 5.677 0.313 18989 2239 1 4 . 1 1 10 10 SER C C 10 172.600 172.600 173.206 -0.606 18989 2240 1 4 . 1 1 10 10 SER CA C 10 57.300 57.300 57.372 -0.072 18989 2241 1 4 . 1 1 10 10 SER CB C 10 68.100 68.100 66.049 2.051 18989 2242 1 4 . 1 1 11 11 ILE N N 11 122.700 122.700 122.848 -0.148 18989 2243 1 4 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.391 0.129 18989 2244 1 4 . 1 1 11 11 ILE C C 11 171.300 171.300 172.906 -1.606 18989 2245 1 4 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.489 0.511 18989 2246 1 4 . 1 1 11 11 ILE CB C 11 43.400 43.400 41.953 1.446 18989 2247 1 4 . 1 1 12 12 ASN N N 12 124.600 124.600 124.456 0.144 18989 2248 1 4 . 1 1 12 12 ASN HA H 12 5.280 5.280 5.101 0.179 18989 2249 1 4 . 1 1 12 12 ASN C C 12 174.700 174.700 174.966 -0.266 18989 2250 1 4 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.489 -0.189 18989 2251 1 4 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.969 -0.369 18989 2252 1 4 . 1 1 13 13 ILE N N 13 122.900 122.900 126.126 -3.226 18989 2253 1 4 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.224 0.226 18989 2254 1 4 . 1 1 13 13 ILE C C 13 175.300 175.300 175.332 -0.032 18989 2255 1 4 . 1 1 13 13 ILE CA C 13 60.300 60.300 59.984 0.316 18989 2256 1 4 . 1 1 13 13 ILE CB C 13 41.600 41.600 39.648 1.952 18989 2257 1 4 . 1 1 14 14 ALA N N 14 136.600 136.600 131.417 5.183 18989 2258 1 4 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.522 0.178 18989 2259 1 4 . 1 1 14 14 ALA C C 14 175.100 175.100 176.268 -1.168 18989 2260 1 4 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.818 -0.818 18989 2261 1 4 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.488 -1.188 18989 2262 1 4 . 1 1 15 15 ALA N N 15 122.100 122.100 125.473 -3.373 18989 2263 1 4 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.699 0.061 18989 2264 1 4 . 1 1 15 15 ALA CA C 15 50.000 50.000 50.624 -0.624 18989 2265 1 4 . 1 1 15 15 ALA CB C 15 21.100 21.100 20.741 0.358 18989 2266 1 4 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.607 0.003 18989 2267 1 4 . 1 1 16 16 PRO C C 16 179.200 179.200 177.354 1.846 18989 2268 1 4 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.745 -0.645 18989 2269 1 4 . 1 1 16 16 PRO CB C 16 33.100 33.100 33.091 0.009 18989 2270 1 4 . 1 1 17 17 ILE N N 17 124.400 124.400 121.537 2.863 18989 2271 1 4 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.674 0.316 18989 2272 1 4 . 1 1 17 17 ILE C C 17 175.800 175.800 176.857 -1.057 18989 2273 1 4 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.787 0.913 18989 2274 1 4 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.287 0.413 18989 2275 1 4 . 1 1 18 18 ASN N N 18 117.200 117.200 117.131 0.069 18989 2276 1 4 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.304 0.386 18989 2277 1 4 . 1 1 18 18 ASN C C 18 178.700 178.700 177.583 1.117 18989 2278 1 4 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.878 -1.078 18989 2279 1 4 . 1 1 18 18 ASN CB C 18 37.100 37.100 37.433 -0.333 18989 2280 1 4 . 1 1 19 19 GLN N N 19 120.300 120.300 119.735 0.565 18989 2281 1 4 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.101 0.018 18989 2282 1 4 . 1 1 19 19 GLN C C 19 178.500 178.500 177.968 0.532 18989 2283 1 4 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.479 -0.179 18989 2284 1 4 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.210 0.090 18989 2285 1 4 . 1 1 20 20 VAL N N 20 120.300 120.300 119.959 0.341 18989 2286 1 4 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.646 -0.196 18989 2287 1 4 . 1 1 20 20 VAL C C 20 177.500 177.500 177.871 -0.371 18989 2288 1 4 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.851 -0.651 18989 2289 1 4 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.604 -0.704 18989 2290 1 4 . 1 1 21 21 TYR N N 21 118.800 118.800 120.084 -1.284 18989 2291 1 4 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.101 -0.521 18989 2292 1 4 . 1 1 21 21 TYR C C 21 177.800 177.800 175.952 1.848 18989 2293 1 4 . 1 1 21 21 TYR CA C 21 62.900 62.900 60.956 1.944 18989 2294 1 4 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.475 -0.075 18989 2295 1 4 . 1 1 22 22 ALA N N 22 120.400 120.400 119.783 0.617 18989 2296 1 4 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.934 -0.174 18989 2297 1 4 . 1 1 22 22 ALA C C 22 178.000 178.000 179.229 -1.229 18989 2298 1 4 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.101 0.599 18989 2299 1 4 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.767 -0.267 18989 2300 1 4 . 1 1 23 23 LEU N N 23 116.400 116.400 118.578 -2.178 18989 2301 1 4 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.089 0.141 18989 2302 1 4 . 1 1 23 23 LEU C C 23 177.200 177.200 179.077 -1.877 18989 2303 1 4 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.697 1.303 18989 2304 1 4 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.136 1.264 18989 2305 1 4 . 1 1 24 24 VAL N N 24 128.600 128.600 114.048 14.552 18989 2306 1 4 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.615 -0.255 18989 2307 1 4 . 1 1 24 24 VAL C C 24 175.200 175.200 176.015 -0.815 18989 2308 1 4 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.197 0.103 18989 2309 1 4 . 1 1 24 24 VAL CB C 24 30.800 30.800 30.615 0.185 18989 2310 1 4 . 1 1 25 25 SER N N 25 108.500 108.500 113.861 -5.361 18989 2311 1 4 . 1 1 25 25 SER HA H 25 2.520 2.520 4.285 -1.765 18989 2312 1 4 . 1 1 25 25 SER CA C 25 58.200 58.200 56.996 1.204 18989 2313 1 4 . 1 1 25 25 SER CB C 25 63.600 63.600 63.155 0.445 18989 2314 1 4 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.435 0.475 18989 2315 1 4 . 1 1 26 26 ASP C C 26 175.500 175.500 176.566 -1.066 18989 2316 1 4 . 1 1 26 26 ASP CA C 26 51.200 51.200 53.810 -2.610 18989 2317 1 4 . 1 1 26 26 ASP CB C 26 38.100 38.100 39.120 -1.020 18989 2318 1 4 . 1 1 27 27 ILE N N 27 123.500 123.500 117.878 5.622 18989 2319 1 4 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.482 -1.092 18989 2320 1 4 . 1 1 27 27 ILE C C 27 178.900 178.900 176.924 1.976 18989 2321 1 4 . 1 1 27 27 ILE CA C 27 61.700 61.700 61.503 0.197 18989 2322 1 4 . 1 1 27 27 ILE CB C 27 36.600 36.600 39.029 -2.429 18989 2323 1 4 . 1 1 28 28 THR N N 28 112.500 112.500 114.257 -1.757 18989 2324 1 4 . 1 1 28 28 THR HA H 28 4.350 4.350 2.793 1.557 18989 2325 1 4 . 1 1 28 28 THR C C 28 176.500 176.500 175.667 0.833 18989 2326 1 4 . 1 1 28 28 THR CA C 28 64.000 64.000 63.934 0.066 18989 2327 1 4 . 1 1 28 28 THR CB C 28 68.600 68.600 68.183 0.417 18989 2328 1 4 . 1 1 29 29 ARG N N 29 121.100 121.100 122.629 -1.529 18989 2329 1 4 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.067 0.213 18989 2330 1 4 . 1 1 29 29 ARG CA C 29 56.200 56.200 55.254 0.946 18989 2331 1 4 . 1 1 29 29 ARG CB C 29 30.600 30.600 28.398 2.202 18989 2332 1 4 . 1 1 30 30 THR HA H 30 5.870 5.870 3.909 1.961 18989 2333 1 4 . 1 1 30 30 THR C C 30 174.000 174.000 174.695 -0.695 18989 2334 1 4 . 1 1 30 30 THR CA C 30 66.000 66.000 63.676 2.324 18989 2335 1 4 . 1 1 30 30 THR CB C 30 69.400 69.400 67.441 1.959 18989 2336 1 4 . 1 1 31 31 GLY N N 31 106.200 106.200 109.538 -3.338 18989 2337 1 4 . 1 1 31 31 GLY C C 31 175.200 175.200 173.965 1.235 18989 2338 1 4 . 1 1 31 31 GLY CA C 31 46.200 46.200 46.406 -0.206 18989 2339 1 4 . 1 1 32 32 GLU N N 32 118.400 118.400 122.493 -4.093 18989 2340 1 4 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.512 -0.542 18989 2341 1 4 . 1 1 32 32 GLU C C 32 177.500 177.500 176.463 1.037 18989 2342 1 4 . 1 1 32 32 GLU CA C 32 58.800 58.800 54.796 4.004 18989 2343 1 4 . 1 1 32 32 GLU CB C 32 29.800 29.800 30.560 -0.760 18989 2344 1 4 . 1 1 33 33 TRP N N 33 113.200 113.200 119.809 -6.609 18989 2345 1 4 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.320 0.620 18989 2346 1 4 . 1 1 33 33 TRP C C 33 175.300 175.300 175.872 -0.572 18989 2347 1 4 . 1 1 33 33 TRP CA C 33 56.400 56.400 58.573 -2.173 18989 2348 1 4 . 1 1 33 33 TRP CB C 33 30.600 30.600 27.463 3.136 18989 2349 1 4 . 1 1 34 34 SER N N 34 118.600 118.600 114.836 3.764 18989 2350 1 4 . 1 1 34 34 SER HA H 34 4.930 4.930 5.035 -0.105 18989 2351 1 4 . 1 1 34 34 SER CA C 34 54.700 54.700 55.820 -1.120 18989 2352 1 4 . 1 1 34 34 SER CB C 34 63.000 63.000 64.586 -1.586 18989 2353 1 4 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.636 -0.176 18989 2354 1 4 . 1 1 35 35 PRO C C 35 177.100 177.100 176.809 0.291 18989 2355 1 4 . 1 1 35 35 PRO CA C 35 64.500 64.500 63.303 1.196 18989 2356 1 4 . 1 1 35 35 PRO CB C 35 32.300 32.300 31.785 0.515 18989 2357 1 4 . 1 1 36 36 VAL N N 36 113.900 113.900 114.198 -0.298 18989 2358 1 4 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.287 -0.187 18989 2359 1 4 . 1 1 36 36 VAL C C 36 174.200 174.200 176.021 -1.821 18989 2360 1 4 . 1 1 36 36 VAL CA C 36 62.900 62.900 63.432 -0.532 18989 2361 1 4 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.237 1.263 18989 2362 1 4 . 1 1 37 37 CYS N N 37 121.000 121.000 118.346 2.654 18989 2363 1 4 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.941 -0.481 18989 2364 1 4 . 1 1 37 37 CYS C C 37 173.600 173.600 175.947 -2.347 18989 2365 1 4 . 1 1 37 37 CYS CA C 37 58.500 58.500 56.833 1.667 18989 2366 1 4 . 1 1 37 37 CYS CB C 37 27.000 27.000 26.684 0.316 18989 2367 1 4 . 1 1 38 38 GLU N N 38 129.300 129.300 127.244 2.056 18989 2368 1 4 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.092 0.048 18989 2369 1 4 . 1 1 38 38 GLU C C 38 176.500 176.500 176.557 -0.057 18989 2370 1 4 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.975 -1.075 18989 2371 1 4 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.140 1.660 18989 2372 1 4 . 1 1 39 39 LYS N N 39 117.100 117.100 119.114 -2.014 18989 2373 1 4 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.517 -0.047 18989 2374 1 4 . 1 1 39 39 LYS C C 39 173.600 173.600 174.397 -0.797 18989 2375 1 4 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.374 0.426 18989 2376 1 4 . 1 1 39 39 LYS CB C 39 36.500 36.500 34.047 2.453 18989 2377 1 4 . 1 1 40 40 CYS N N 40 125.100 125.100 123.715 1.385 18989 2378 1 4 . 1 1 40 40 CYS HA H 40 5.410 5.410 4.995 0.415 18989 2379 1 4 . 1 1 40 40 CYS C C 40 173.000 173.000 173.736 -0.736 18989 2380 1 4 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.083 0.017 18989 2381 1 4 . 1 1 40 40 CYS CB C 40 30.100 30.100 27.203 2.897 18989 2382 1 4 . 1 1 41 41 TRP N N 41 124.300 124.300 128.122 -3.822 18989 2383 1 4 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.435 0.395 18989 2384 1 4 . 1 1 41 41 TRP C C 41 174.100 174.100 174.282 -0.182 18989 2385 1 4 . 1 1 41 41 TRP CA C 41 56.300 56.300 55.605 0.695 18989 2386 1 4 . 1 1 41 41 TRP CB C 41 32.400 32.400 31.562 0.838 18989 2387 1 4 . 1 1 42 42 TRP N N 42 123.700 123.700 128.506 -4.806 18989 2388 1 4 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.959 -0.129 18989 2389 1 4 . 1 1 42 42 TRP C C 42 178.200 178.200 175.331 2.869 18989 2390 1 4 . 1 1 42 42 TRP CA C 42 57.000 57.000 55.508 1.492 18989 2391 1 4 . 1 1 42 42 TRP CB C 42 31.600 31.600 30.394 1.206 18989 2392 1 4 . 1 1 43 43 ASP N N 43 124.400 124.400 124.694 -0.294 18989 2393 1 4 . 1 1 43 43 ASP HA H 43 4.680 4.680 3.925 0.755 18989 2394 1 4 . 1 1 43 43 ASP C C 43 176.300 176.300 176.811 -0.511 18989 2395 1 4 . 1 1 43 43 ASP CA C 43 56.300 56.300 55.770 0.530 18989 2396 1 4 . 1 1 43 43 ASP CB C 43 40.300 40.300 41.038 -0.738 18989 2397 1 4 . 1 1 44 44 GLU N N 44 119.400 119.400 119.758 -0.358 18989 2398 1 4 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.054 0.216 18989 2399 1 4 . 1 1 44 44 GLU C C 44 176.500 176.500 178.140 -1.640 18989 2400 1 4 . 1 1 44 44 GLU CA C 44 57.600 57.600 59.410 -1.810 18989 2401 1 4 . 1 1 44 44 GLU CB C 44 30.200 30.200 29.426 0.774 18989 2402 1 4 . 1 1 45 45 ASP N N 45 118.300 118.300 118.096 0.204 18989 2403 1 4 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.378 0.102 18989 2404 1 4 . 1 1 45 45 ASP C C 45 175.900 175.900 178.035 -2.135 18989 2405 1 4 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.384 -0.384 18989 2406 1 4 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.975 -0.775 18989 2407 1 4 . 1 1 46 46 GLU N N 46 118.200 118.200 118.182 0.018 18989 2408 1 4 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.220 0.240 18989 2409 1 4 . 1 1 46 46 GLU C C 46 175.200 175.200 177.005 -1.805 18989 2410 1 4 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.969 -0.369 18989 2411 1 4 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.890 -0.090 18989 2412 1 4 . 1 1 47 47 GLY N N 47 106.400 106.400 106.896 -0.496 18989 2413 1 4 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.474 -0.874 18989 2414 1 4 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.761 -0.171 18989 2415 1 4 . 1 1 48 48 PRO C C 48 173.400 173.400 175.634 -2.234 18989 2416 1 4 . 1 1 48 48 PRO CA C 48 63.100 63.100 63.116 -0.016 18989 2417 1 4 . 1 1 48 48 PRO CB C 48 29.100 29.100 30.787 -1.687 18989 2418 1 4 . 1 1 49 49 VAL N N 49 121.900 121.900 117.379 4.521 18989 2419 1 4 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.658 -0.048 18989 2420 1 4 . 1 1 49 49 VAL C C 49 175.100 175.100 175.653 -0.553 18989 2421 1 4 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.089 1.211 18989 2422 1 4 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.395 1.105 18989 2423 1 4 . 1 1 50 50 VAL N N 50 121.700 121.700 121.540 0.160 18989 2424 1 4 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.963 -0.663 18989 2425 1 4 . 1 1 50 50 VAL C C 50 177.400 177.400 176.648 0.752 18989 2426 1 4 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.523 2.677 18989 2427 1 4 . 1 1 50 50 VAL CB C 50 31.300 31.300 30.367 0.932 18989 2428 1 4 . 1 1 51 51 GLY N N 51 115.800 115.800 116.323 -0.523 18989 2429 1 4 . 1 1 51 51 GLY C C 51 174.200 174.200 172.932 1.268 18989 2430 1 4 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.989 -0.389 18989 2431 1 4 . 1 1 52 52 ALA N N 52 123.000 123.000 123.746 -0.746 18989 2432 1 4 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.728 -0.178 18989 2433 1 4 . 1 1 52 52 ALA C C 52 177.300 177.300 175.272 2.028 18989 2434 1 4 . 1 1 52 52 ALA CA C 52 52.800 52.800 51.359 1.441 18989 2435 1 4 . 1 1 52 52 ALA CB C 52 23.100 23.100 21.267 1.833 18989 2436 1 4 . 1 1 53 53 HIS N N 53 115.900 115.900 122.459 -6.559 18989 2437 1 4 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.550 0.470 18989 2438 1 4 . 1 1 53 53 HIS C C 53 174.200 174.200 174.056 0.144 18989 2439 1 4 . 1 1 53 53 HIS CA C 53 55.200 55.200 53.430 1.770 18989 2440 1 4 . 1 1 53 53 HIS CB C 53 32.100 32.100 29.864 2.236 18989 2441 1 4 . 1 1 54 54 PHE N N 54 115.800 115.800 124.631 -8.831 18989 2442 1 4 . 1 1 54 54 PHE HA H 54 5.150 5.150 5.171 -0.021 18989 2443 1 4 . 1 1 54 54 PHE C C 54 172.600 172.600 175.421 -2.821 18989 2444 1 4 . 1 1 54 54 PHE CA C 54 55.500 55.500 56.722 -1.222 18989 2445 1 4 . 1 1 54 54 PHE CB C 54 41.700 41.700 40.831 0.869 18989 2446 1 4 . 1 1 55 55 THR N N 55 118.300 118.300 120.458 -2.158 18989 2447 1 4 . 1 1 55 55 THR HA H 55 4.770 4.770 4.941 -0.171 18989 2448 1 4 . 1 1 55 55 THR C C 55 171.800 171.800 174.132 -2.332 18989 2449 1 4 . 1 1 55 55 THR CA C 55 61.000 61.000 61.910 -0.909 18989 2450 1 4 . 1 1 55 55 THR CB C 55 70.200 70.200 69.737 0.463 18989 2451 1 4 . 1 1 56 56 GLY N N 56 110.500 110.500 114.621 -4.121 18989 2452 1 4 . 1 1 56 56 GLY C C 56 171.100 171.100 172.398 -1.298 18989 2453 1 4 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.080 0.220 18989 2454 1 4 . 1 1 57 57 ARG N N 57 123.800 123.800 127.178 -3.378 18989 2455 1 4 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.391 0.269 18989 2456 1 4 . 1 1 57 57 ARG C C 57 172.900 172.900 174.628 -1.728 18989 2457 1 4 . 1 1 57 57 ARG CA C 57 55.300 55.300 54.164 1.136 18989 2458 1 4 . 1 1 57 57 ARG CB C 57 32.500 32.500 31.003 1.497 18989 2459 1 4 . 1 1 58 58 ASN N N 58 127.200 127.200 125.052 2.148 18989 2460 1 4 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.593 -0.533 18989 2461 1 4 . 1 1 58 58 ASN C C 58 173.100 173.100 173.341 -0.241 18989 2462 1 4 . 1 1 58 58 ASN CA C 58 51.900 51.900 52.672 -0.772 18989 2463 1 4 . 1 1 58 58 ASN CB C 58 38.800 38.800 41.586 -2.786 18989 2464 1 4 . 1 1 59 59 VAL N N 59 121.400 121.400 126.570 -5.170 18989 2465 1 4 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.685 -0.005 18989 2466 1 4 . 1 1 59 59 VAL C C 59 175.100 175.100 173.950 1.150 18989 2467 1 4 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.187 2.213 18989 2468 1 4 . 1 1 59 59 VAL CB C 59 35.800 35.800 35.748 0.052 18989 2469 1 4 . 1 1 60 60 THR N N 60 118.000 118.000 120.406 -2.406 18989 2470 1 4 . 1 1 60 60 THR HA H 60 5.000 5.000 4.995 0.005 18989 2471 1 4 . 1 1 60 60 THR CA C 60 58.900 58.900 59.141 -0.241 18989 2472 1 4 . 1 1 60 60 THR CB C 60 70.200 70.200 70.379 -0.179 18989 2473 1 4 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.387 -0.107 18989 2474 1 4 . 1 1 61 61 PRO C C 61 177.700 177.700 177.112 0.588 18989 2475 1 4 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.308 1.192 18989 2476 1 4 . 1 1 61 61 PRO CB C 61 31.800 31.800 32.105 -0.305 18989 2477 1 4 . 1 1 62 62 GLU N N 62 111.700 111.700 117.510 -5.810 18989 2478 1 4 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.291 -0.011 18989 2479 1 4 . 1 1 62 62 GLU C C 62 176.500 176.500 176.891 -0.391 18989 2480 1 4 . 1 1 62 62 GLU CA C 62 57.600 57.600 57.178 0.422 18989 2481 1 4 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.369 0.631 18989 2482 1 4 . 1 1 63 63 ARG N N 63 118.000 118.000 120.216 -2.216 18989 2483 1 4 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.719 -0.029 18989 2484 1 4 . 1 1 63 63 ARG C C 63 174.000 174.000 174.707 -0.707 18989 2485 1 4 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.343 1.357 18989 2486 1 4 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.020 0.680 18989 2487 1 4 . 1 1 64 64 THR N N 64 120.700 120.700 119.028 1.672 18989 2488 1 4 . 1 1 64 64 THR HA H 64 5.780 5.780 4.909 0.871 18989 2489 1 4 . 1 1 64 64 THR C C 64 174.000 174.000 173.456 0.544 18989 2490 1 4 . 1 1 64 64 THR CA C 64 61.600 61.600 62.357 -0.757 18989 2491 1 4 . 1 1 64 64 THR CB C 64 71.700 71.700 69.913 1.787 18989 2492 1 4 . 1 1 65 65 TRP N N 65 128.000 128.000 129.954 -1.954 18989 2493 1 4 . 1 1 65 65 TRP HA H 65 5.170 5.170 5.064 0.106 18989 2494 1 4 . 1 1 65 65 TRP C C 65 172.800 172.800 173.487 -0.687 18989 2495 1 4 . 1 1 65 65 TRP CA C 65 57.300 57.300 56.180 1.120 18989 2496 1 4 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.403 -0.503 18989 2497 1 4 . 1 1 66 66 GLU N N 66 120.800 120.800 123.339 -2.539 18989 2498 1 4 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.861 0.729 18989 2499 1 4 . 1 1 66 66 GLU C C 66 177.300 177.300 174.419 2.881 18989 2500 1 4 . 1 1 66 66 GLU CA C 66 54.200 54.200 54.912 -0.712 18989 2501 1 4 . 1 1 66 66 GLU CB C 66 32.700 32.700 33.395 -0.695 18989 2502 1 4 . 1 1 67 67 THR N N 67 113.700 113.700 116.906 -3.206 18989 2503 1 4 . 1 1 67 67 THR HA H 67 4.750 4.750 4.878 -0.128 18989 2504 1 4 . 1 1 67 67 THR C C 67 173.300 173.300 174.132 -0.832 18989 2505 1 4 . 1 1 67 67 THR CA C 67 59.500 59.500 60.456 -0.956 18989 2506 1 4 . 1 1 67 67 THR CB C 67 71.500 71.500 70.632 0.868 18989 2507 1 4 . 1 1 68 68 ARG N N 68 125.300 125.300 126.607 -1.307 18989 2508 1 4 . 1 1 68 68 ARG HA H 68 4.860 4.860 5.231 -0.371 18989 2509 1 4 . 1 1 68 68 ARG C C 68 175.700 175.700 175.771 -0.071 18989 2510 1 4 . 1 1 68 68 ARG CA C 68 55.000 55.000 54.228 0.772 18989 2511 1 4 . 1 1 68 68 ARG CB C 68 31.700 31.700 30.414 1.286 18989 2512 1 4 . 1 1 69 69 SER N N 69 122.000 122.000 119.785 2.215 18989 2513 1 4 . 1 1 69 69 SER HA H 69 5.570 5.570 5.346 0.224 18989 2514 1 4 . 1 1 69 69 SER C C 69 172.200 172.200 174.252 -2.052 18989 2515 1 4 . 1 1 69 69 SER CA C 69 58.000 58.000 56.772 1.228 18989 2516 1 4 . 1 1 69 69 SER CB C 69 66.700 66.700 65.509 1.191 18989 2517 1 4 . 1 1 70 70 GLU N N 70 121.900 121.900 123.184 -1.284 18989 2518 1 4 . 1 1 70 70 GLU HA H 70 5.200 5.200 5.084 0.116 18989 2519 1 4 . 1 1 70 70 GLU C C 70 176.000 176.000 175.100 0.900 18989 2520 1 4 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.791 -1.191 18989 2521 1 4 . 1 1 70 70 GLU CB C 70 34.700 34.700 34.053 0.647 18989 2522 1 4 . 1 1 71 71 VAL N N 71 126.600 126.600 127.208 -0.608 18989 2523 1 4 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.346 -0.096 18989 2524 1 4 . 1 1 71 71 VAL C C 71 177.600 177.600 177.042 0.558 18989 2525 1 4 . 1 1 71 71 VAL CA C 71 64.800 64.800 62.809 1.991 18989 2526 1 4 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.471 1.729 18989 2527 1 4 . 1 1 72 72 ILE N N 72 123.200 123.200 125.428 -2.228 18989 2528 1 4 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.225 0.505 18989 2529 1 4 . 1 1 72 72 ILE C C 72 175.200 175.200 175.977 -0.777 18989 2530 1 4 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.755 -0.755 18989 2531 1 4 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.688 0.912 18989 2532 1 4 . 1 1 73 73 VAL N N 73 121.700 121.700 119.578 2.122 18989 2533 1 4 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.403 -0.203 18989 2534 1 4 . 1 1 73 73 VAL C C 73 172.000 172.000 173.354 -1.354 18989 2535 1 4 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.638 0.462 18989 2536 1 4 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.788 -1.088 18989 2537 1 4 . 1 1 74 74 ALA N N 74 131.100 131.100 130.203 0.897 18989 2538 1 4 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.042 0.278 18989 2539 1 4 . 1 1 74 74 ALA C C 74 174.900 174.900 176.113 -1.213 18989 2540 1 4 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.681 1.019 18989 2541 1 4 . 1 1 74 74 ALA CB C 74 18.300 18.300 21.059 -2.759 18989 2542 1 4 . 1 1 75 75 GLU N N 75 126.100 126.100 124.619 1.481 18989 2543 1 4 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.934 0.036 18989 2544 1 4 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.971 -0.871 18989 2545 1 4 . 1 1 75 75 GLU CB C 75 31.300 31.300 29.983 1.317 18989 2546 1 4 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.080 -1.460 18989 2547 1 4 . 1 1 76 76 PRO CA C 76 63.900 63.900 63.916 -0.016 18989 2548 1 4 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.857 0.043 18989 2549 1 4 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.677 -0.917 18989 2550 1 4 . 1 1 77 77 ASN C C 77 172.700 172.700 174.421 -1.721 18989 2551 1 4 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.375 2.725 18989 2552 1 4 . 1 1 77 77 ASN CB C 77 36.900 36.900 38.645 -1.745 18989 2553 1 4 . 1 1 78 78 ARG N N 78 115.300 115.300 118.028 -2.728 18989 2554 1 4 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.733 0.167 18989 2555 1 4 . 1 1 78 78 ARG C C 78 176.000 176.000 174.196 1.804 18989 2556 1 4 . 1 1 78 78 ARG CA C 78 58.300 58.300 57.356 0.944 18989 2557 1 4 . 1 1 78 78 ARG CB C 78 34.000 34.000 32.894 1.106 18989 2558 1 4 . 1 1 79 79 CYS N N 79 117.700 117.700 116.315 1.385 18989 2559 1 4 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.343 0.327 18989 2560 1 4 . 1 1 79 79 CYS C C 79 172.200 172.200 173.108 -0.908 18989 2561 1 4 . 1 1 79 79 CYS CA C 79 58.200 58.200 57.999 0.201 18989 2562 1 4 . 1 1 79 79 CYS CB C 79 29.500 29.500 31.948 -2.448 18989 2563 1 4 . 1 1 80 80 PHE N N 80 129.500 129.500 123.188 6.312 18989 2564 1 4 . 1 1 80 80 PHE HA H 80 5.520 5.520 4.954 0.566 18989 2565 1 4 . 1 1 80 80 PHE C C 80 173.400 173.400 173.695 -0.295 18989 2566 1 4 . 1 1 80 80 PHE CA C 80 57.900 57.900 57.446 0.454 18989 2567 1 4 . 1 1 80 80 PHE CB C 80 43.800 43.800 42.595 1.205 18989 2568 1 4 . 1 1 81 81 GLY N N 81 114.500 114.500 115.243 -0.743 18989 2569 1 4 . 1 1 81 81 GLY C C 81 171.900 171.900 172.077 -0.177 18989 2570 1 4 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.401 2.199 18989 2571 1 4 . 1 1 82 82 TRP N N 82 121.700 121.700 122.480 -0.780 18989 2572 1 4 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.475 0.315 18989 2573 1 4 . 1 1 82 82 TRP C C 82 171.500 171.500 173.743 -2.243 18989 2574 1 4 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.127 3.273 18989 2575 1 4 . 1 1 82 82 TRP CB C 82 33.900 33.900 31.935 1.965 18989 2576 1 4 . 1 1 83 83 SER N N 83 113.600 113.600 116.167 -2.567 18989 2577 1 4 . 1 1 83 83 SER HA H 83 5.680 5.680 4.984 0.696 18989 2578 1 4 . 1 1 83 83 SER C C 83 174.500 174.500 174.868 -0.368 18989 2579 1 4 . 1 1 83 83 SER CA C 83 54.800 54.800 56.755 -1.955 18989 2580 1 4 . 1 1 83 83 SER CB C 83 66.700 66.700 65.164 1.536 18989 2581 1 4 . 1 1 84 84 VAL N N 84 125.400 125.400 127.327 -1.927 18989 2582 1 4 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.272 0.578 18989 2583 1 4 . 1 1 84 84 VAL C C 84 176.500 176.500 176.573 -0.073 18989 2584 1 4 . 1 1 84 84 VAL CA C 84 61.400 61.400 62.961 -1.561 18989 2585 1 4 . 1 1 84 84 VAL CB C 84 34.600 34.600 31.096 3.504 18989 2586 1 4 . 1 1 85 85 THR N N 85 120.300 120.300 122.697 -2.397 18989 2587 1 4 . 1 1 85 85 THR HA H 85 3.720 3.720 3.962 -0.242 18989 2588 1 4 . 1 1 85 85 THR C C 85 173.500 173.500 174.416 -0.916 18989 2589 1 4 . 1 1 85 85 THR CA C 85 62.900 62.900 63.379 -0.479 18989 2590 1 4 . 1 1 85 85 THR CB C 85 66.600 66.600 67.418 -0.819 18989 2591 1 4 . 1 1 86 86 ASP N N 86 119.000 119.000 121.959 -2.959 18989 2592 1 4 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.121 0.099 18989 2593 1 4 . 1 1 86 86 ASP C C 86 177.100 177.100 175.408 1.692 18989 2594 1 4 . 1 1 86 86 ASP CA C 86 54.700 54.700 57.317 -2.617 18989 2595 1 4 . 1 1 86 86 ASP CB C 86 39.700 39.700 40.279 -0.579 18989 2596 1 4 . 1 1 87 87 GLY N N 87 103.400 103.400 104.884 -1.484 18989 2597 1 4 . 1 1 87 87 GLY C C 87 175.000 175.000 173.386 1.614 18989 2598 1 4 . 1 1 87 87 GLY CA C 87 45.600 45.600 44.982 0.618 18989 2599 1 4 . 1 1 88 88 ASN N N 88 122.300 122.300 120.023 2.277 18989 2600 1 4 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.659 -0.549 18989 2601 1 4 . 1 1 88 88 ASN C C 88 174.500 174.500 174.851 -0.351 18989 2602 1 4 . 1 1 88 88 ASN CA C 88 55.600 55.600 55.111 0.489 18989 2603 1 4 . 1 1 88 88 ASN CB C 88 38.200 38.200 39.574 -1.374 18989 2604 1 4 . 1 1 89 89 VAL N N 89 115.700 115.700 117.196 -1.496 18989 2605 1 4 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.252 0.578 18989 2606 1 4 . 1 1 89 89 VAL C C 89 174.700 174.700 173.857 0.843 18989 2607 1 4 . 1 1 89 89 VAL CA C 89 59.600 59.600 60.566 -0.966 18989 2608 1 4 . 1 1 89 89 VAL CB C 89 37.000 37.000 35.807 1.193 18989 2609 1 4 . 1 1 90 90 LYS N N 90 123.600 123.600 122.026 1.574 18989 2610 1 4 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.652 0.358 18989 2611 1 4 . 1 1 90 90 LYS C C 90 174.100 174.100 174.147 -0.047 18989 2612 1 4 . 1 1 90 90 LYS CA C 90 54.900 54.900 54.531 0.369 18989 2613 1 4 . 1 1 90 90 LYS CB C 90 36.300 36.300 36.258 0.042 18989 2614 1 4 . 1 1 91 91 TRP N N 91 124.600 124.600 124.894 -0.294 18989 2615 1 4 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.688 0.412 18989 2616 1 4 . 1 1 91 91 TRP C C 91 174.600 174.600 174.212 0.388 18989 2617 1 4 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.679 -0.779 18989 2618 1 4 . 1 1 91 91 TRP CB C 91 30.800 30.800 32.177 -1.377 18989 2619 1 4 . 1 1 92 92 ILE N N 92 118.000 118.000 121.661 -3.661 18989 2620 1 4 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.334 0.226 18989 2621 1 4 . 1 1 92 92 ILE C C 92 176.300 176.300 174.277 2.023 18989 2622 1 4 . 1 1 92 92 ILE CA C 92 60.800 60.800 58.955 1.845 18989 2623 1 4 . 1 1 92 92 ILE CB C 92 42.100 42.100 39.016 3.084 18989 2624 1 4 . 1 1 93 93 TYR N N 93 127.700 127.700 127.856 -0.156 18989 2625 1 4 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.001 0.849 18989 2626 1 4 . 1 1 93 93 TYR C C 93 175.300 175.300 175.324 -0.024 18989 2627 1 4 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.954 0.146 18989 2628 1 4 . 1 1 93 93 TYR CB C 93 40.800 40.800 39.136 1.665 18989 2629 1 4 . 1 1 94 94 SER N N 94 117.900 117.900 120.287 -2.387 18989 2630 1 4 . 1 1 94 94 SER HA H 94 5.510 5.510 4.990 0.520 18989 2631 1 4 . 1 1 94 94 SER C C 94 172.700 172.700 173.457 -0.757 18989 2632 1 4 . 1 1 94 94 SER CA C 94 57.300 57.300 56.990 0.310 18989 2633 1 4 . 1 1 94 94 SER CB C 94 65.600 65.600 64.311 1.290 18989 2634 1 4 . 1 1 95 95 MET N N 95 119.600 119.600 126.583 -6.983 18989 2635 1 4 . 1 1 95 95 MET HA H 95 5.840 5.840 5.347 0.493 18989 2636 1 4 . 1 1 95 95 MET C C 95 173.800 173.800 174.646 -0.846 18989 2637 1 4 . 1 1 95 95 MET CA C 95 54.200 54.200 52.934 1.266 18989 2638 1 4 . 1 1 95 95 MET CB C 95 37.400 37.400 33.574 3.826 18989 2639 1 4 . 1 1 96 96 GLU N N 96 119.100 119.100 123.811 -4.711 18989 2640 1 4 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.878 0.092 18989 2641 1 4 . 1 1 96 96 GLU CA C 96 52.900 52.900 52.776 0.124 18989 2642 1 4 . 1 1 96 96 GLU CB C 96 33.000 33.000 30.110 2.890 18989 2643 1 4 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.379 0.441 18989 2644 1 4 . 1 1 97 97 PRO C C 97 176.300 176.300 176.254 0.046 18989 2645 1 4 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.851 0.249 18989 2646 1 4 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.381 1.319 18989 2647 1 4 . 1 1 98 98 LEU N N 98 122.900 122.900 125.437 -2.537 18989 2648 1 4 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.441 0.089 18989 2649 1 4 . 1 1 98 98 LEU C C 98 176.200 176.200 177.145 -0.945 18989 2650 1 4 . 1 1 98 98 LEU CA C 98 54.200 54.200 53.874 0.326 18989 2651 1 4 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.951 1.149 18989 2652 1 4 . 1 1 99 99 GLU N N 99 124.700 124.700 118.774 5.926 18989 2653 1 4 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.210 -0.350 18989 2654 1 4 . 1 1 99 99 GLU C C 99 176.900 176.900 176.701 0.199 18989 2655 1 4 . 1 1 99 99 GLU CA C 99 59.500 59.500 57.808 1.692 18989 2656 1 4 . 1 1 99 99 GLU CB C 99 28.000 28.000 30.058 -2.058 18989 2657 1 4 . 1 1 100 100 GLU N N 100 118.200 118.200 117.401 0.799 18989 2658 1 4 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.405 0.025 18989 2659 1 4 . 1 1 100 100 GLU C C 100 176.200 176.200 176.594 -0.394 18989 2660 1 4 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.269 0.131 18989 2661 1 4 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.843 -0.943 18989 2662 1 4 . 1 1 101 101 GLY N N 101 110.100 110.100 107.145 2.955 18989 2663 1 4 . 1 1 101 101 GLY C C 101 174.100 174.100 172.885 1.215 18989 2664 1 4 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.363 -0.363 18989 2665 1 4 . 1 1 102 102 THR N N 102 120.200 120.200 116.879 3.321 18989 2666 1 4 . 1 1 102 102 THR HA H 102 4.850 4.850 5.100 -0.250 18989 2667 1 4 . 1 1 102 102 THR C C 102 172.700 172.700 173.613 -0.913 18989 2668 1 4 . 1 1 102 102 THR CA C 102 63.700 63.700 62.216 1.484 18989 2669 1 4 . 1 1 102 102 THR CB C 102 73.600 73.600 71.978 1.622 18989 2670 1 4 . 1 1 103 103 VAL N N 103 125.600 125.600 128.029 -2.429 18989 2671 1 4 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.535 0.375 18989 2672 1 4 . 1 1 103 103 VAL C C 103 175.000 175.000 175.192 -0.192 18989 2673 1 4 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.910 -0.610 18989 2674 1 4 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.890 0.810 18989 2675 1 4 . 1 1 104 104 LEU N N 104 133.900 133.900 131.444 2.456 18989 2676 1 4 . 1 1 104 104 LEU HA H 104 5.140 5.140 5.115 0.025 18989 2677 1 4 . 1 1 104 104 LEU C C 104 173.800 173.800 175.998 -2.198 18989 2678 1 4 . 1 1 104 104 LEU CA C 104 53.300 53.300 53.298 0.002 18989 2679 1 4 . 1 1 104 104 LEU CB C 104 46.100 46.100 42.423 3.677 18989 2680 1 4 . 1 1 105 105 THR N N 105 124.400 124.400 125.511 -1.111 18989 2681 1 4 . 1 1 105 105 THR HA H 105 5.210 5.210 4.888 0.322 18989 2682 1 4 . 1 1 105 105 THR C C 105 173.500 173.500 173.585 -0.085 18989 2683 1 4 . 1 1 105 105 THR CA C 105 61.500 61.500 62.533 -1.033 18989 2684 1 4 . 1 1 105 105 THR CB C 105 71.100 71.100 69.192 1.908 18989 2685 1 4 . 1 1 106 106 GLU N N 106 126.900 126.900 128.542 -1.642 18989 2686 1 4 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.995 0.365 18989 2687 1 4 . 1 1 106 106 GLU C C 106 173.400 173.400 175.374 -1.974 18989 2688 1 4 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.861 -0.461 18989 2689 1 4 . 1 1 106 106 GLU CB C 106 32.000 32.000 32.175 -0.175 18989 2690 1 4 . 1 1 107 107 SER N N 107 120.800 120.800 121.620 -0.820 18989 2691 1 4 . 1 1 107 107 SER HA H 107 5.470 5.470 4.964 0.506 18989 2692 1 4 . 1 1 107 107 SER C C 107 171.600 171.600 173.105 -1.505 18989 2693 1 4 . 1 1 107 107 SER CA C 107 56.000 56.000 57.488 -1.488 18989 2694 1 4 . 1 1 107 107 SER CB C 107 66.700 66.700 64.146 2.554 18989 2695 1 4 . 1 1 108 108 TRP N N 108 124.600 124.600 129.408 -4.808 18989 2696 1 4 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.663 0.017 18989 2697 1 4 . 1 1 108 108 TRP C C 108 175.000 175.000 174.603 0.397 18989 2698 1 4 . 1 1 108 108 TRP CA C 108 55.900 55.900 56.388 -0.488 18989 2699 1 4 . 1 1 108 108 TRP CB C 108 33.600 33.600 30.917 2.683 18989 2700 1 4 . 1 1 109 109 GLU N N 109 127.200 127.200 127.220 -0.020 18989 2701 1 4 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.132 0.368 18989 2702 1 4 . 1 1 109 109 GLU C C 109 172.300 172.300 173.608 -1.308 18989 2703 1 4 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.520 -0.420 18989 2704 1 4 . 1 1 109 109 GLU CB C 109 32.900 32.900 33.711 -0.810 18989 2705 1 4 . 1 1 110 110 PHE N N 110 129.400 129.400 124.005 5.395 18989 2706 1 4 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.492 0.198 18989 2707 1 4 . 1 1 110 110 PHE C C 110 177.100 177.100 173.944 3.156 18989 2708 1 4 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.002 -2.002 18989 2709 1 4 . 1 1 110 110 PHE CB C 110 38.500 38.500 41.197 -2.697 18989 2710 1 4 . 1 1 111 111 THR N N 111 117.800 117.800 122.550 -4.750 18989 2711 1 4 . 1 1 111 111 THR HA H 111 4.510 4.510 4.318 0.192 18989 2712 1 4 . 1 1 111 111 THR CA C 111 61.800 61.800 59.743 2.057 18989 2713 1 4 . 1 1 111 111 THR CB C 111 66.100 66.100 69.758 -3.658 18989 2714 1 4 . 1 1 113 113 LYS HA H 113 3.990 3.990 3.988 0.002 18989 2715 1 4 . 1 1 113 113 LYS C C 113 179.200 179.200 178.448 0.752 18989 2716 1 4 . 1 1 114 114 GLY N N 114 110.100 110.100 106.480 3.620 18989 2717 1 4 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.619 0.481 18989 2718 1 4 . 1 1 115 115 GLN N N 115 121.100 121.100 121.938 -0.838 18989 2719 1 4 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.289 -0.279 18989 2720 1 4 . 1 1 115 115 GLN C C 115 178.000 178.000 178.140 -0.140 18989 2721 1 4 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.948 0.952 18989 2722 1 4 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.888 0.512 18989 2723 1 4 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.123 0.017 18989 2724 1 4 . 1 1 116 116 ARG C C 116 177.900 177.900 178.618 -0.718 18989 2725 1 4 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.499 0.001 18989 2726 1 4 . 1 1 116 116 ARG CB C 116 30.000 30.000 30.085 -0.085 18989 2727 1 4 . 1 1 117 117 PHE N N 117 120.800 120.800 120.697 0.103 18989 2728 1 4 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.183 0.287 18989 2729 1 4 . 1 1 117 117 PHE C C 117 178.100 178.100 177.265 0.835 18989 2730 1 4 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.640 -0.440 18989 2731 1 4 . 1 1 117 117 PHE CB C 117 39.000 39.000 39.110 -0.110 18989 2732 1 4 . 1 1 118 118 PHE N N 118 119.600 119.600 118.799 0.801 18989 2733 1 4 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.065 0.165 18989 2734 1 4 . 1 1 118 118 PHE C C 118 178.500 178.500 177.357 1.143 18989 2735 1 4 . 1 1 118 118 PHE CA C 118 62.300 62.300 61.442 0.858 18989 2736 1 4 . 1 1 118 118 PHE CB C 118 39.200 39.200 39.502 -0.302 18989 2737 1 4 . 1 1 119 119 HIS N N 119 120.900 120.900 120.192 0.708 18989 2738 1 4 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.598 0.022 18989 2739 1 4 . 1 1 119 119 HIS C C 119 178.500 178.500 177.420 1.080 18989 2740 1 4 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.278 0.622 18989 2741 1 4 . 1 1 119 119 HIS CB C 119 29.700 29.700 29.848 -0.148 18989 2742 1 4 . 1 1 120 120 ASP N N 120 120.400 120.400 118.912 1.488 18989 2743 1 4 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.321 0.009 18989 2744 1 4 . 1 1 120 120 ASP C C 120 177.500 177.500 177.490 0.010 18989 2745 1 4 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.236 0.964 18989 2746 1 4 . 1 1 120 120 ASP CB C 120 40.500 40.500 40.796 -0.296 18989 2747 1 4 . 1 1 121 121 LYS N N 121 118.100 118.100 117.750 0.350 18989 2748 1 4 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.778 0.032 18989 2749 1 4 . 1 1 121 121 LYS C C 121 178.200 178.200 176.461 1.739 18989 2750 1 4 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.246 0.854 18989 2751 1 4 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.844 0.356 18989 2752 1 4 . 1 1 122 122 PHE N N 122 112.800 112.800 118.020 -5.220 18989 2753 1 4 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.534 0.146 18989 2754 1 4 . 1 1 122 122 PHE C C 122 177.600 177.600 175.907 1.693 18989 2755 1 4 . 1 1 122 122 PHE CA C 122 58.100 58.100 56.653 1.447 18989 2756 1 4 . 1 1 122 122 PHE CB C 122 40.000 40.000 40.001 -0.001 18989 2757 1 4 . 1 1 123 123 GLY N N 123 112.200 112.200 111.304 0.896 18989 2758 1 4 . 1 1 123 123 GLY CA C 123 47.300 47.300 47.067 0.233 18989 2759 1 4 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.716 -0.136 18989 2760 1 4 . 1 1 124 124 ASP C C 124 177.700 177.700 178.223 -0.523 18989 2761 1 4 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.603 0.197 18989 2762 1 4 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.449 -0.349 18989 2763 1 4 . 1 1 125 125 LYS N N 125 118.400 118.400 118.358 0.042 18989 2764 1 4 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.305 0.365 18989 2765 1 4 . 1 1 125 125 LYS C C 125 177.100 177.100 178.593 -1.493 18989 2766 1 4 . 1 1 125 125 LYS CA C 125 56.000 56.000 57.863 -1.863 18989 2767 1 4 . 1 1 125 125 LYS CB C 125 32.300 32.300 31.797 0.503 18989 2768 1 4 . 1 1 126 126 SER N N 126 116.600 116.600 115.844 0.756 18989 2769 1 4 . 1 1 126 126 SER HA H 126 3.830 3.830 4.526 -0.696 18989 2770 1 4 . 1 1 126 126 SER C C 126 175.700 175.700 176.276 -0.576 18989 2771 1 4 . 1 1 126 126 SER CA C 126 62.700 62.700 61.460 1.240 18989 2772 1 4 . 1 1 126 126 SER CB C 126 63.000 63.000 63.144 -0.144 18989 2773 1 4 . 1 1 127 127 ILE N N 127 122.300 122.300 121.436 0.864 18989 2774 1 4 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.762 0.048 18989 2775 1 4 . 1 1 127 127 ILE C C 127 178.500 178.500 177.706 0.794 18989 2776 1 4 . 1 1 127 127 ILE CA C 127 65.000 65.000 64.549 0.451 18989 2777 1 4 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.933 -1.133 18989 2778 1 4 . 1 1 128 128 GLU N N 128 120.500 120.500 119.287 1.213 18989 2779 1 4 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.996 0.104 18989 2780 1 4 . 1 1 128 128 GLU C C 128 179.400 179.400 179.181 0.219 18989 2781 1 4 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.514 -0.214 18989 2782 1 4 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.219 0.481 18989 2783 1 4 . 1 1 129 129 GLU N N 129 118.800 118.800 119.501 -0.701 18989 2784 1 4 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.968 -0.058 18989 2785 1 4 . 1 1 129 129 GLU C C 129 179.900 179.900 179.164 0.736 18989 2786 1 4 . 1 1 129 129 GLU CA C 129 59.000 59.000 59.063 -0.063 18989 2787 1 4 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.228 -0.028 18989 2788 1 4 . 1 1 130 130 ILE N N 130 122.700 122.700 116.466 6.234 18989 2789 1 4 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.594 -0.114 18989 2790 1 4 . 1 1 130 130 ILE C C 130 177.600 177.600 178.031 -0.431 18989 2791 1 4 . 1 1 130 130 ILE CA C 130 66.400 66.400 63.910 2.490 18989 2792 1 4 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.232 1.068 18989 2793 1 4 . 1 1 131 131 GLU N N 131 120.100 120.100 121.532 -1.432 18989 2794 1 4 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.973 0.417 18989 2795 1 4 . 1 1 131 131 GLU C C 131 178.800 178.800 178.586 0.214 18989 2796 1 4 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.393 -0.793 18989 2797 1 4 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.093 -0.193 18989 2798 1 4 . 1 1 132 132 LYS N N 132 118.300 118.300 118.791 -0.491 18989 2799 1 4 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.992 -0.032 18989 2800 1 4 . 1 1 132 132 LYS C C 132 180.400 180.400 179.442 0.958 18989 2801 1 4 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.271 1.029 18989 2802 1 4 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.220 0.480 18989 2803 1 4 . 1 1 133 133 ARG N N 133 118.400 118.400 118.763 -0.363 18989 2804 1 4 . 1 1 133 133 ARG HA H 133 4.060 4.060 4.020 0.040 18989 2805 1 4 . 1 1 133 133 ARG C C 133 178.600 178.600 178.490 0.110 18989 2806 1 4 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.123 -0.123 18989 2807 1 4 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.488 -0.087 18989 2808 1 4 . 1 1 134 134 ARG N N 134 122.500 122.500 120.413 2.087 18989 2809 1 4 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.244 -0.634 18989 2810 1 4 . 1 1 134 134 ARG C C 134 177.600 177.600 178.359 -0.759 18989 2811 1 4 . 1 1 134 134 ARG CA C 134 59.400 59.400 58.854 0.546 18989 2812 1 4 . 1 1 134 134 ARG CB C 134 31.000 31.000 29.980 1.020 18989 2813 1 4 . 1 1 135 135 LEU N N 135 118.200 118.200 119.258 -1.058 18989 2814 1 4 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.907 -0.097 18989 2815 1 4 . 1 1 135 135 LEU C C 135 179.700 179.700 178.501 1.199 18989 2816 1 4 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.677 0.023 18989 2817 1 4 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.471 -0.071 18989 2818 1 4 . 1 1 136 136 ALA N N 136 120.400 120.400 120.032 0.368 18989 2819 1 4 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.862 0.168 18989 2820 1 4 . 1 1 136 136 ALA C C 136 180.500 180.500 178.632 1.868 18989 2821 1 4 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.664 0.035 18989 2822 1 4 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.820 0.280 18989 2823 1 4 . 1 1 137 137 ALA N N 137 123.200 123.200 121.097 2.103 18989 2824 1 4 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.716 0.184 18989 2825 1 4 . 1 1 137 137 ALA C C 137 178.700 178.700 179.405 -0.705 18989 2826 1 4 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.171 1.129 18989 2827 1 4 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.902 -2.102 18989 2828 1 4 . 1 1 138 138 ILE N N 138 115.400 115.400 117.190 -1.790 18989 2829 1 4 . 1 1 138 138 ILE HA H 138 2.830 2.830 3.397 -0.567 18989 2830 1 4 . 1 1 138 138 ILE C C 138 177.800 177.800 177.347 0.453 18989 2831 1 4 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.801 -0.601 18989 2832 1 4 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.694 -0.294 18989 2833 1 4 . 1 1 139 139 THR N N 139 109.500 109.500 112.797 -3.297 18989 2834 1 4 . 1 1 139 139 THR HA H 139 4.150 4.150 4.242 -0.092 18989 2835 1 4 . 1 1 139 139 THR C C 139 177.300 177.300 176.267 1.033 18989 2836 1 4 . 1 1 139 139 THR CA C 139 64.000 64.000 64.767 -0.767 18989 2837 1 4 . 1 1 139 139 THR CB C 139 69.600 69.600 69.577 0.023 18989 2838 1 4 . 1 1 140 140 GLY N N 140 110.800 110.800 109.884 0.916 18989 2839 1 4 . 1 1 140 140 GLY C C 140 176.700 176.700 175.906 0.794 18989 2840 1 4 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.235 0.565 18989 2841 1 4 . 1 1 141 141 ILE N N 141 122.700 122.700 121.775 0.925 18989 2842 1 4 . 1 1 141 141 ILE HA H 141 4.160 4.160 3.828 0.332 18989 2843 1 4 . 1 1 141 141 ILE CA C 141 68.300 68.300 67.147 1.153 18989 2844 1 4 . 1 1 141 141 ILE CB C 141 36.300 36.300 35.799 0.501 18989 2845 1 4 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.320 0.030 18989 2846 1 4 . 1 1 142 142 PRO C C 142 179.300 179.300 178.889 0.411 18989 2847 1 4 . 1 1 142 142 PRO CA C 142 66.700 66.700 66.279 0.421 18989 2848 1 4 . 1 1 142 142 PRO CB C 142 31.200 31.200 30.983 0.217 18989 2849 1 4 . 1 1 143 143 GLU N N 143 113.900 113.900 119.251 -5.351 18989 2850 1 4 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.082 0.088 18989 2851 1 4 . 1 1 143 143 GLU C C 143 179.600 179.600 178.765 0.835 18989 2852 1 4 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.550 -0.250 18989 2853 1 4 . 1 1 143 143 GLU CB C 143 30.000 30.000 29.190 0.810 18989 2854 1 4 . 1 1 144 144 THR N N 144 119.900 119.900 117.502 2.398 18989 2855 1 4 . 1 1 144 144 THR HA H 144 4.290 4.290 4.012 0.278 18989 2856 1 4 . 1 1 144 144 THR C C 144 175.800 175.800 176.953 -1.153 18989 2857 1 4 . 1 1 144 144 THR CA C 144 67.000 67.000 66.573 0.427 18989 2858 1 4 . 1 1 144 144 THR CB C 144 69.500 69.500 68.794 0.706 18989 2859 1 4 . 1 1 145 145 LEU N N 145 120.300 120.300 121.463 -1.163 18989 2860 1 4 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.106 -0.196 18989 2861 1 4 . 1 1 145 145 LEU C C 145 178.700 178.700 178.748 -0.048 18989 2862 1 4 . 1 1 145 145 LEU CA C 145 58.600 58.600 57.548 1.052 18989 2863 1 4 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.536 -0.036 18989 2864 1 4 . 1 1 146 146 VAL N N 146 117.600 117.600 118.718 -1.118 18989 2865 1 4 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.587 0.093 18989 2866 1 4 . 1 1 146 146 VAL C C 146 177.700 177.700 177.816 -0.116 18989 2867 1 4 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.719 -0.619 18989 2868 1 4 . 1 1 146 146 VAL CB C 146 32.000 32.000 31.300 0.700 18989 2869 1 4 . 1 1 147 147 ALA N N 147 123.600 123.600 122.556 1.044 18989 2870 1 4 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.158 0.072 18989 2871 1 4 . 1 1 147 147 ALA C C 147 180.400 180.400 179.582 0.818 18989 2872 1 4 . 1 1 147 147 ALA CA C 147 55.600 55.600 54.966 0.634 18989 2873 1 4 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.133 0.667 18989 2874 1 4 . 1 1 148 148 ILE N N 148 119.600 119.600 119.918 -0.318 18989 2875 1 4 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.588 -0.278 18989 2876 1 4 . 1 1 148 148 ILE C C 148 177.100 177.100 177.853 -0.753 18989 2877 1 4 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.227 1.073 18989 2878 1 4 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.786 0.414 18989 2879 1 4 . 1 1 149 149 GLN N N 149 119.200 119.200 119.295 -0.095 18989 2880 1 4 . 1 1 149 149 GLN HA H 149 3.670 3.670 4.016 -0.346 18989 2881 1 4 . 1 1 149 149 GLN C C 149 178.000 178.000 178.020 -0.020 18989 2882 1 4 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.223 0.877 18989 2883 1 4 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.730 0.870 18989 2884 1 4 . 1 1 150 150 ARG N N 150 120.500 120.500 120.111 0.389 18989 2885 1 4 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.295 -0.245 18989 2886 1 4 . 1 1 150 150 ARG C C 150 179.000 179.000 178.788 0.212 18989 2887 1 4 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.117 0.183 18989 2888 1 4 . 1 1 150 150 ARG CB C 150 30.000 30.000 30.159 -0.159 18989 2889 1 4 . 1 1 151 151 ILE N N 151 119.100 119.100 120.614 -1.514 18989 2890 1 4 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.778 -0.128 18989 2891 1 4 . 1 1 151 151 ILE C C 151 178.500 178.500 177.329 1.171 18989 2892 1 4 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.767 0.533 18989 2893 1 4 . 1 1 151 151 ILE CB C 151 39.000 39.000 38.039 0.961 18989 2894 1 4 . 1 1 152 152 LEU N N 152 117.100 117.100 119.093 -1.993 18989 2895 1 4 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.904 0.176 18989 2896 1 4 . 1 1 152 152 LEU C C 152 178.700 178.700 178.917 -0.217 18989 2897 1 4 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.489 -0.489 18989 2898 1 4 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.656 1.244 18989 2899 1 4 . 1 1 153 153 GLU N N 153 117.800 117.800 120.287 -2.487 18989 2900 1 4 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.939 0.231 18989 2901 1 4 . 1 1 153 153 GLU C C 153 178.300 178.300 179.124 -0.824 18989 2902 1 4 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.756 -1.056 18989 2903 1 4 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.693 -0.393 18989 2904 1 4 . 1 1 154 154 VAL N N 154 119.500 119.500 118.688 0.812 18989 2905 1 4 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.571 0.429 18989 2906 1 4 . 1 1 154 154 VAL C C 154 177.500 177.500 177.483 0.017 18989 2907 1 4 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.766 -2.066 18989 2908 1 4 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.529 0.671 18989 2909 1 4 . 1 1 155 155 GLU N N 155 121.300 121.300 119.061 2.239 18989 2910 1 4 . 1 1 155 155 GLU HA H 155 4.180 4.180 3.704 0.476 18989 2911 1 4 . 1 1 155 155 GLU C C 155 177.600 177.600 177.911 -0.311 18989 2912 1 4 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.331 -0.331 18989 2913 1 4 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.542 0.158 18989 2914 1 4 . 1 1 156 156 LEU N N 156 120.800 120.800 118.465 2.335 18989 2915 1 4 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.192 0.038 18989 2916 1 4 . 1 1 156 156 LEU C C 156 178.000 178.000 178.615 -0.615 18989 2917 1 4 . 1 1 156 156 LEU CA C 156 56.200 56.200 56.754 -0.554 18989 2918 1 4 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.313 -0.013 18989 2919 1 4 . 1 1 157 157 GLU N N 157 119.700 119.700 117.545 2.155 18989 2920 1 4 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.289 -0.159 18989 2921 1 4 . 1 1 157 157 GLU C C 157 177.000 177.000 178.104 -1.104 18989 2922 1 4 . 1 1 157 157 GLU CA C 157 57.400 57.400 57.676 -0.276 18989 2923 1 4 . 1 1 157 157 GLU CB C 157 29.800 29.800 29.588 0.212 18989 2924 1 4 . 1 1 158 158 HIS N N 158 117.700 117.700 120.810 -3.110 18989 2925 1 4 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.821 -0.191 18989 2926 1 4 . 1 1 158 158 HIS C C 158 173.900 173.900 175.663 -1.763 18989 2927 1 4 . 1 1 158 158 HIS CA C 158 56.000 56.000 54.457 1.543 18989 2928 1 4 . 1 1 158 158 HIS CB C 158 30.000 30.000 27.518 2.482 18989 2929 1 4 . 1 1 159 159 HIS N N 159 125.200 125.200 122.803 2.397 18989 2930 1 4 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.467 -0.027 18989 2931 1 4 . 1 1 159 159 HIS CA C 159 57.300 57.300 57.543 -0.243 18989 2932 1 4 . 1 1 159 159 HIS CB C 159 28.800 28.800 30.509 -1.709 18989 2933 1 5 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.503 -0.103 18989 2934 1 5 . 1 1 2 2 PRO CA C 2 62.400 62.400 62.850 -0.450 18989 2935 1 5 . 1 1 2 2 PRO CB C 2 32.800 32.800 31.877 0.923 18989 2936 1 5 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.489 -0.009 18989 2937 1 5 . 1 1 3 3 LYS C C 3 176.600 176.600 174.860 1.740 18989 2938 1 5 . 1 1 3 3 LYS CA C 3 55.900 55.900 55.653 0.247 18989 2939 1 5 . 1 1 3 3 LYS CB C 3 34.200 34.200 34.595 -0.395 18989 2940 1 5 . 1 1 4 4 SER N N 4 117.800 117.800 112.246 5.554 18989 2941 1 5 . 1 1 4 4 SER HA H 4 4.220 4.220 4.122 0.098 18989 2942 1 5 . 1 1 4 4 SER C C 4 174.100 174.100 174.096 0.004 18989 2943 1 5 . 1 1 4 4 SER CA C 4 59.700 59.700 58.389 1.311 18989 2944 1 5 . 1 1 4 4 SER CB C 4 63.700 63.700 63.418 0.282 18989 2945 1 5 . 1 1 5 5 LEU N N 5 124.700 124.700 122.523 2.177 18989 2946 1 5 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.184 0.616 18989 2947 1 5 . 1 1 5 5 LEU C C 5 175.500 175.500 174.785 0.715 18989 2948 1 5 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.040 -0.040 18989 2949 1 5 . 1 1 5 5 LEU CB C 5 43.200 43.200 39.457 3.743 18989 2950 1 5 . 1 1 6 6 THR N N 6 111.200 111.200 113.500 -2.300 18989 2951 1 5 . 1 1 6 6 THR HA H 6 5.620 5.620 3.993 1.627 18989 2952 1 5 . 1 1 6 6 THR C C 6 174.500 174.500 172.452 2.048 18989 2953 1 5 . 1 1 6 6 THR CA C 6 59.700 59.700 61.497 -1.797 18989 2954 1 5 . 1 1 6 6 THR CB C 6 73.000 73.000 71.402 1.598 18989 2955 1 5 . 1 1 7 7 PHE N N 7 120.700 120.700 123.648 -2.948 18989 2956 1 5 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.751 -0.001 18989 2957 1 5 . 1 1 7 7 PHE C C 7 172.100 172.100 172.740 -0.640 18989 2958 1 5 . 1 1 7 7 PHE CA C 7 59.300 59.300 56.950 2.350 18989 2959 1 5 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.443 0.057 18989 2960 1 5 . 1 1 8 8 GLU N N 8 122.100 122.100 122.067 0.033 18989 2961 1 5 . 1 1 8 8 GLU HA H 8 5.380 5.380 5.066 0.314 18989 2962 1 5 . 1 1 8 8 GLU C C 8 172.500 172.500 173.905 -1.405 18989 2963 1 5 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.032 0.468 18989 2964 1 5 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.131 0.369 18989 2965 1 5 . 1 1 9 9 ASP N N 9 117.400 117.400 120.903 -3.503 18989 2966 1 5 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.747 0.073 18989 2967 1 5 . 1 1 9 9 ASP C C 9 173.500 173.500 173.844 -0.344 18989 2968 1 5 . 1 1 9 9 ASP CA C 9 53.100 53.100 52.887 0.213 18989 2969 1 5 . 1 1 9 9 ASP CB C 9 45.100 45.100 43.701 1.399 18989 2970 1 5 . 1 1 10 10 SER N N 10 113.600 113.600 115.727 -2.127 18989 2971 1 5 . 1 1 10 10 SER HA H 10 5.990 5.990 5.631 0.359 18989 2972 1 5 . 1 1 10 10 SER C C 10 172.600 172.600 173.037 -0.437 18989 2973 1 5 . 1 1 10 10 SER CA C 10 57.300 57.300 57.199 0.101 18989 2974 1 5 . 1 1 10 10 SER CB C 10 68.100 68.100 66.267 1.833 18989 2975 1 5 . 1 1 11 11 ILE N N 11 122.700 122.700 120.865 1.835 18989 2976 1 5 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.442 0.078 18989 2977 1 5 . 1 1 11 11 ILE C C 11 171.300 171.300 173.428 -2.128 18989 2978 1 5 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.917 0.083 18989 2979 1 5 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.091 1.309 18989 2980 1 5 . 1 1 12 12 ASN N N 12 124.600 124.600 125.668 -1.068 18989 2981 1 5 . 1 1 12 12 ASN HA H 12 5.280 5.280 5.031 0.249 18989 2982 1 5 . 1 1 12 12 ASN C C 12 174.700 174.700 174.834 -0.134 18989 2983 1 5 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.443 -0.143 18989 2984 1 5 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.079 0.521 18989 2985 1 5 . 1 1 13 13 ILE N N 13 122.900 122.900 124.359 -1.459 18989 2986 1 5 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.255 0.195 18989 2987 1 5 . 1 1 13 13 ILE C C 13 175.300 175.300 175.569 -0.269 18989 2988 1 5 . 1 1 13 13 ILE CA C 13 60.300 60.300 60.654 -0.354 18989 2989 1 5 . 1 1 13 13 ILE CB C 13 41.600 41.600 39.547 2.053 18989 2990 1 5 . 1 1 14 14 ALA N N 14 136.600 136.600 127.039 9.561 18989 2991 1 5 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.716 -0.016 18989 2992 1 5 . 1 1 14 14 ALA C C 14 175.100 175.100 176.048 -0.948 18989 2993 1 5 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.204 -0.204 18989 2994 1 5 . 1 1 14 14 ALA CB C 14 16.300 16.300 18.567 -2.267 18989 2995 1 5 . 1 1 15 15 ALA N N 15 122.100 122.100 122.410 -0.310 18989 2996 1 5 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.731 0.029 18989 2997 1 5 . 1 1 15 15 ALA CA C 15 50.000 50.000 49.031 0.970 18989 2998 1 5 . 1 1 15 15 ALA CB C 15 21.100 21.100 20.459 0.641 18989 2999 1 5 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.473 0.137 18989 3000 1 5 . 1 1 16 16 PRO C C 16 179.200 179.200 177.536 1.664 18989 3001 1 5 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.629 -0.529 18989 3002 1 5 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.704 0.396 18989 3003 1 5 . 1 1 17 17 ILE N N 17 124.400 124.400 120.698 3.702 18989 3004 1 5 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.759 0.231 18989 3005 1 5 . 1 1 17 17 ILE C C 17 175.800 175.800 177.078 -1.278 18989 3006 1 5 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.238 1.462 18989 3007 1 5 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.256 0.444 18989 3008 1 5 . 1 1 18 18 ASN N N 18 117.200 117.200 116.346 0.854 18989 3009 1 5 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.457 0.233 18989 3010 1 5 . 1 1 18 18 ASN C C 18 178.700 178.700 177.207 1.493 18989 3011 1 5 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.035 -0.235 18989 3012 1 5 . 1 1 18 18 ASN CB C 18 37.100 37.100 36.849 0.251 18989 3013 1 5 . 1 1 19 19 GLN N N 19 120.300 120.300 120.066 0.234 18989 3014 1 5 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.244 -0.124 18989 3015 1 5 . 1 1 19 19 GLN C C 19 178.500 178.500 178.589 -0.089 18989 3016 1 5 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.424 -0.124 18989 3017 1 5 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.444 -0.144 18989 3018 1 5 . 1 1 20 20 VAL N N 20 120.300 120.300 120.413 -0.113 18989 3019 1 5 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.645 -0.195 18989 3020 1 5 . 1 1 20 20 VAL C C 20 177.500 177.500 177.885 -0.385 18989 3021 1 5 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.629 -0.430 18989 3022 1 5 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.763 -0.863 18989 3023 1 5 . 1 1 21 21 TYR N N 21 118.800 118.800 121.137 -2.337 18989 3024 1 5 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.169 -0.589 18989 3025 1 5 . 1 1 21 21 TYR C C 21 177.800 177.800 177.187 0.613 18989 3026 1 5 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.469 1.431 18989 3027 1 5 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.369 0.031 18989 3028 1 5 . 1 1 22 22 ALA N N 22 120.400 120.400 121.740 -1.340 18989 3029 1 5 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.993 -0.233 18989 3030 1 5 . 1 1 22 22 ALA C C 22 178.000 178.000 178.537 -0.537 18989 3031 1 5 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.706 -0.006 18989 3032 1 5 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.653 -0.153 18989 3033 1 5 . 1 1 23 23 LEU N N 23 116.400 116.400 115.414 0.986 18989 3034 1 5 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.293 -0.063 18989 3035 1 5 . 1 1 23 23 LEU C C 23 177.200 177.200 178.154 -0.954 18989 3036 1 5 . 1 1 23 23 LEU CA C 23 58.000 58.000 55.277 2.723 18989 3037 1 5 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.264 1.136 18989 3038 1 5 . 1 1 24 24 VAL N N 24 128.600 128.600 117.967 10.633 18989 3039 1 5 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.824 -0.464 18989 3040 1 5 . 1 1 24 24 VAL C C 24 175.200 175.200 176.323 -1.123 18989 3041 1 5 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.829 -0.529 18989 3042 1 5 . 1 1 24 24 VAL CB C 24 30.800 30.800 32.439 -1.639 18989 3043 1 5 . 1 1 25 25 SER N N 25 108.500 108.500 113.432 -4.932 18989 3044 1 5 . 1 1 25 25 SER HA H 25 2.520 2.520 4.408 -1.888 18989 3045 1 5 . 1 1 25 25 SER CA C 25 58.200 58.200 56.961 1.239 18989 3046 1 5 . 1 1 25 25 SER CB C 25 63.600 63.600 64.306 -0.706 18989 3047 1 5 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.368 0.542 18989 3048 1 5 . 1 1 26 26 ASP C C 26 175.500 175.500 176.000 -0.500 18989 3049 1 5 . 1 1 26 26 ASP CA C 26 51.200 51.200 52.665 -1.465 18989 3050 1 5 . 1 1 26 26 ASP CB C 26 38.100 38.100 40.315 -2.215 18989 3051 1 5 . 1 1 27 27 ILE N N 27 123.500 123.500 123.028 0.472 18989 3052 1 5 . 1 1 27 27 ILE HA H 27 3.390 3.390 3.569 -0.179 18989 3053 1 5 . 1 1 27 27 ILE C C 27 178.900 178.900 175.030 3.870 18989 3054 1 5 . 1 1 27 27 ILE CA C 27 61.700 61.700 62.047 -0.347 18989 3055 1 5 . 1 1 27 27 ILE CB C 27 36.600 36.600 36.241 0.359 18989 3056 1 5 . 1 1 28 28 THR N N 28 112.500 112.500 118.453 -5.953 18989 3057 1 5 . 1 1 28 28 THR HA H 28 4.350 4.350 3.822 0.528 18989 3058 1 5 . 1 1 28 28 THR C C 28 176.500 176.500 174.622 1.878 18989 3059 1 5 . 1 1 28 28 THR CA C 28 64.000 64.000 63.921 0.079 18989 3060 1 5 . 1 1 28 28 THR CB C 28 68.600 68.600 68.339 0.261 18989 3061 1 5 . 1 1 29 29 ARG N N 29 121.100 121.100 119.558 1.542 18989 3062 1 5 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.049 0.231 18989 3063 1 5 . 1 1 29 29 ARG CA C 29 56.200 56.200 57.486 -1.286 18989 3064 1 5 . 1 1 29 29 ARG CB C 29 30.600 30.600 30.889 -0.289 18989 3065 1 5 . 1 1 30 30 THR HA H 30 5.870 5.870 4.394 1.476 18989 3066 1 5 . 1 1 30 30 THR C C 30 174.000 174.000 173.669 0.331 18989 3067 1 5 . 1 1 30 30 THR CA C 30 66.000 66.000 61.192 4.808 18989 3068 1 5 . 1 1 30 30 THR CB C 30 69.400 69.400 68.651 0.749 18989 3069 1 5 . 1 1 31 31 GLY N N 31 106.200 106.200 113.639 -7.439 18989 3070 1 5 . 1 1 31 31 GLY C C 31 175.200 175.200 174.536 0.664 18989 3071 1 5 . 1 1 31 31 GLY CA C 31 46.200 46.200 44.492 1.708 18989 3072 1 5 . 1 1 32 32 GLU N N 32 118.400 118.400 121.787 -3.387 18989 3073 1 5 . 1 1 32 32 GLU HA H 32 3.970 3.970 3.858 0.112 18989 3074 1 5 . 1 1 32 32 GLU C C 32 177.500 177.500 176.660 0.840 18989 3075 1 5 . 1 1 32 32 GLU CA C 32 58.800 58.800 57.556 1.244 18989 3076 1 5 . 1 1 32 32 GLU CB C 32 29.800 29.800 29.760 0.040 18989 3077 1 5 . 1 1 33 33 TRP N N 33 113.200 113.200 119.650 -6.450 18989 3078 1 5 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.693 0.247 18989 3079 1 5 . 1 1 33 33 TRP C C 33 175.300 175.300 176.113 -0.813 18989 3080 1 5 . 1 1 33 33 TRP CA C 33 56.400 56.400 57.620 -1.220 18989 3081 1 5 . 1 1 33 33 TRP CB C 33 30.600 30.600 30.234 0.366 18989 3082 1 5 . 1 1 34 34 SER N N 34 118.600 118.600 116.318 2.282 18989 3083 1 5 . 1 1 34 34 SER HA H 34 4.930 4.930 4.877 0.053 18989 3084 1 5 . 1 1 34 34 SER CA C 34 54.700 54.700 56.622 -1.922 18989 3085 1 5 . 1 1 34 34 SER CB C 34 63.000 63.000 63.758 -0.758 18989 3086 1 5 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.513 -0.053 18989 3087 1 5 . 1 1 35 35 PRO C C 35 177.100 177.100 176.672 0.428 18989 3088 1 5 . 1 1 35 35 PRO CA C 35 64.500 64.500 62.541 1.960 18989 3089 1 5 . 1 1 35 35 PRO CB C 35 32.300 32.300 33.257 -0.957 18989 3090 1 5 . 1 1 36 36 VAL N N 36 113.900 113.900 111.690 2.210 18989 3091 1 5 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.475 -0.375 18989 3092 1 5 . 1 1 36 36 VAL C C 36 174.200 174.200 175.345 -1.145 18989 3093 1 5 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.085 0.815 18989 3094 1 5 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.072 1.428 18989 3095 1 5 . 1 1 37 37 CYS N N 37 121.000 121.000 118.450 2.550 18989 3096 1 5 . 1 1 37 37 CYS HA H 37 4.460 4.460 5.228 -0.768 18989 3097 1 5 . 1 1 37 37 CYS C C 37 173.600 173.600 174.243 -0.643 18989 3098 1 5 . 1 1 37 37 CYS CA C 37 58.500 58.500 57.996 0.504 18989 3099 1 5 . 1 1 37 37 CYS CB C 37 27.000 27.000 30.216 -3.216 18989 3100 1 5 . 1 1 38 38 GLU N N 38 129.300 129.300 125.936 3.364 18989 3101 1 5 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.222 -0.082 18989 3102 1 5 . 1 1 38 38 GLU C C 38 176.500 176.500 176.286 0.214 18989 3103 1 5 . 1 1 38 38 GLU CA C 38 57.900 57.900 57.908 -0.008 18989 3104 1 5 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.597 1.203 18989 3105 1 5 . 1 1 39 39 LYS N N 39 117.100 117.100 119.386 -2.286 18989 3106 1 5 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.229 0.241 18989 3107 1 5 . 1 1 39 39 LYS C C 39 173.600 173.600 173.973 -0.373 18989 3108 1 5 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.441 0.359 18989 3109 1 5 . 1 1 39 39 LYS CB C 39 36.500 36.500 33.807 2.693 18989 3110 1 5 . 1 1 40 40 CYS N N 40 125.100 125.100 122.985 2.115 18989 3111 1 5 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.208 0.202 18989 3112 1 5 . 1 1 40 40 CYS C C 40 173.000 173.000 173.528 -0.528 18989 3113 1 5 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.272 -0.172 18989 3114 1 5 . 1 1 40 40 CYS CB C 40 30.100 30.100 29.742 0.358 18989 3115 1 5 . 1 1 41 41 TRP N N 41 124.300 124.300 126.027 -1.727 18989 3116 1 5 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.891 -0.061 18989 3117 1 5 . 1 1 41 41 TRP C C 41 174.100 174.100 175.565 -1.465 18989 3118 1 5 . 1 1 41 41 TRP CA C 41 56.300 56.300 55.875 0.425 18989 3119 1 5 . 1 1 41 41 TRP CB C 41 32.400 32.400 30.888 1.512 18989 3120 1 5 . 1 1 42 42 TRP N N 42 123.700 123.700 126.214 -2.514 18989 3121 1 5 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.663 0.167 18989 3122 1 5 . 1 1 42 42 TRP C C 42 178.200 178.200 176.642 1.558 18989 3123 1 5 . 1 1 42 42 TRP CA C 42 57.000 57.000 56.217 0.783 18989 3124 1 5 . 1 1 42 42 TRP CB C 42 31.600 31.600 30.596 1.004 18989 3125 1 5 . 1 1 43 43 ASP N N 43 124.400 124.400 128.203 -3.803 18989 3126 1 5 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.460 0.220 18989 3127 1 5 . 1 1 43 43 ASP C C 43 176.300 176.300 177.064 -0.764 18989 3128 1 5 . 1 1 43 43 ASP CA C 43 56.300 56.300 56.725 -0.425 18989 3129 1 5 . 1 1 43 43 ASP CB C 43 40.300 40.300 41.483 -1.183 18989 3130 1 5 . 1 1 44 44 GLU N N 44 119.400 119.400 118.588 0.812 18989 3131 1 5 . 1 1 44 44 GLU HA H 44 4.270 4.270 3.673 0.597 18989 3132 1 5 . 1 1 44 44 GLU C C 44 176.500 176.500 177.855 -1.355 18989 3133 1 5 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.541 -0.941 18989 3134 1 5 . 1 1 44 44 GLU CB C 44 30.200 30.200 28.400 1.800 18989 3135 1 5 . 1 1 45 45 ASP N N 45 118.300 118.300 118.388 -0.088 18989 3136 1 5 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.369 0.111 18989 3137 1 5 . 1 1 45 45 ASP C C 45 175.900 175.900 177.821 -1.921 18989 3138 1 5 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.543 -0.543 18989 3139 1 5 . 1 1 45 45 ASP CB C 45 40.200 40.200 41.139 -0.939 18989 3140 1 5 . 1 1 46 46 GLU N N 46 118.200 118.200 117.202 0.998 18989 3141 1 5 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.370 0.090 18989 3142 1 5 . 1 1 46 46 GLU C C 46 175.200 175.200 176.628 -1.428 18989 3143 1 5 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.338 0.262 18989 3144 1 5 . 1 1 46 46 GLU CB C 46 30.800 30.800 31.275 -0.475 18989 3145 1 5 . 1 1 47 47 GLY N N 47 106.400 106.400 109.166 -2.766 18989 3146 1 5 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.210 -0.610 18989 3147 1 5 . 1 1 48 48 PRO HA H 48 4.590 4.590 5.059 -0.469 18989 3148 1 5 . 1 1 48 48 PRO C C 48 173.400 173.400 176.063 -2.663 18989 3149 1 5 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.547 0.553 18989 3150 1 5 . 1 1 48 48 PRO CB C 48 29.100 29.100 31.769 -2.669 18989 3151 1 5 . 1 1 49 49 VAL N N 49 121.900 121.900 118.631 3.269 18989 3152 1 5 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.583 0.027 18989 3153 1 5 . 1 1 49 49 VAL C C 49 175.100 175.100 175.012 0.088 18989 3154 1 5 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.149 1.151 18989 3155 1 5 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.630 0.870 18989 3156 1 5 . 1 1 50 50 VAL N N 50 121.700 121.700 121.130 0.570 18989 3157 1 5 . 1 1 50 50 VAL HA H 50 3.300 3.300 4.069 -0.769 18989 3158 1 5 . 1 1 50 50 VAL C C 50 177.400 177.400 177.133 0.267 18989 3159 1 5 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.498 2.701 18989 3160 1 5 . 1 1 50 50 VAL CB C 50 31.300 31.300 31.306 -0.006 18989 3161 1 5 . 1 1 51 51 GLY N N 51 115.800 115.800 116.372 -0.572 18989 3162 1 5 . 1 1 51 51 GLY C C 51 174.200 174.200 173.366 0.834 18989 3163 1 5 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.855 -0.255 18989 3164 1 5 . 1 1 52 52 ALA N N 52 123.000 123.000 122.695 0.305 18989 3165 1 5 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.149 0.401 18989 3166 1 5 . 1 1 52 52 ALA C C 52 177.300 177.300 175.386 1.914 18989 3167 1 5 . 1 1 52 52 ALA CA C 52 52.800 52.800 51.417 1.383 18989 3168 1 5 . 1 1 52 52 ALA CB C 52 23.100 23.100 20.760 2.340 18989 3169 1 5 . 1 1 53 53 HIS N N 53 115.900 115.900 114.415 1.485 18989 3170 1 5 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.529 0.491 18989 3171 1 5 . 1 1 53 53 HIS C C 53 174.200 174.200 174.469 -0.269 18989 3172 1 5 . 1 1 53 53 HIS CA C 53 55.200 55.200 54.554 0.646 18989 3173 1 5 . 1 1 53 53 HIS CB C 53 32.100 32.100 31.095 1.005 18989 3174 1 5 . 1 1 54 54 PHE N N 54 115.800 115.800 122.060 -6.260 18989 3175 1 5 . 1 1 54 54 PHE HA H 54 5.150 5.150 5.175 -0.025 18989 3176 1 5 . 1 1 54 54 PHE C C 54 172.600 172.600 174.724 -2.124 18989 3177 1 5 . 1 1 54 54 PHE CA C 54 55.500 55.500 55.724 -0.224 18989 3178 1 5 . 1 1 54 54 PHE CB C 54 41.700 41.700 40.023 1.677 18989 3179 1 5 . 1 1 55 55 THR N N 55 118.300 118.300 120.750 -2.450 18989 3180 1 5 . 1 1 55 55 THR HA H 55 4.770 4.770 4.743 0.027 18989 3181 1 5 . 1 1 55 55 THR C C 55 171.800 171.800 173.838 -2.038 18989 3182 1 5 . 1 1 55 55 THR CA C 55 61.000 61.000 62.234 -1.234 18989 3183 1 5 . 1 1 55 55 THR CB C 55 70.200 70.200 69.446 0.754 18989 3184 1 5 . 1 1 56 56 GLY N N 56 110.500 110.500 112.932 -2.432 18989 3185 1 5 . 1 1 56 56 GLY C C 56 171.100 171.100 172.047 -0.947 18989 3186 1 5 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.075 0.225 18989 3187 1 5 . 1 1 57 57 ARG N N 57 123.800 123.800 126.429 -2.629 18989 3188 1 5 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.584 0.076 18989 3189 1 5 . 1 1 57 57 ARG C C 57 172.900 172.900 174.878 -1.978 18989 3190 1 5 . 1 1 57 57 ARG CA C 57 55.300 55.300 54.897 0.403 18989 3191 1 5 . 1 1 57 57 ARG CB C 57 32.500 32.500 31.035 1.465 18989 3192 1 5 . 1 1 58 58 ASN N N 58 127.200 127.200 126.148 1.052 18989 3193 1 5 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.320 -0.260 18989 3194 1 5 . 1 1 58 58 ASN C C 58 173.100 173.100 174.019 -0.919 18989 3195 1 5 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.620 -1.720 18989 3196 1 5 . 1 1 58 58 ASN CB C 58 38.800 38.800 39.971 -1.171 18989 3197 1 5 . 1 1 59 59 VAL N N 59 121.400 121.400 125.137 -3.737 18989 3198 1 5 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.458 0.222 18989 3199 1 5 . 1 1 59 59 VAL C C 59 175.100 175.100 174.243 0.857 18989 3200 1 5 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.730 1.670 18989 3201 1 5 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.533 1.267 18989 3202 1 5 . 1 1 60 60 THR N N 60 118.000 118.000 119.590 -1.590 18989 3203 1 5 . 1 1 60 60 THR HA H 60 5.000 5.000 5.017 -0.017 18989 3204 1 5 . 1 1 60 60 THR CA C 60 58.900 58.900 58.596 0.304 18989 3205 1 5 . 1 1 60 60 THR CB C 60 70.200 70.200 70.153 0.047 18989 3206 1 5 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.349 -0.069 18989 3207 1 5 . 1 1 61 61 PRO C C 61 177.700 177.700 177.433 0.267 18989 3208 1 5 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.479 1.021 18989 3209 1 5 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.862 -0.062 18989 3210 1 5 . 1 1 62 62 GLU N N 62 111.700 111.700 116.922 -5.222 18989 3211 1 5 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.243 0.037 18989 3212 1 5 . 1 1 62 62 GLU C C 62 176.500 176.500 177.010 -0.510 18989 3213 1 5 . 1 1 62 62 GLU CA C 62 57.600 57.600 57.264 0.336 18989 3214 1 5 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.421 0.579 18989 3215 1 5 . 1 1 63 63 ARG N N 63 118.000 118.000 118.678 -0.678 18989 3216 1 5 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.743 -0.053 18989 3217 1 5 . 1 1 63 63 ARG C C 63 174.000 174.000 174.263 -0.263 18989 3218 1 5 . 1 1 63 63 ARG CA C 63 56.700 56.700 54.580 2.120 18989 3219 1 5 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.959 -0.259 18989 3220 1 5 . 1 1 64 64 THR N N 64 120.700 120.700 117.617 3.083 18989 3221 1 5 . 1 1 64 64 THR HA H 64 5.780 5.780 5.397 0.383 18989 3222 1 5 . 1 1 64 64 THR C C 64 174.000 174.000 173.291 0.709 18989 3223 1 5 . 1 1 64 64 THR CA C 64 61.600 61.600 61.510 0.090 18989 3224 1 5 . 1 1 64 64 THR CB C 64 71.700 71.700 70.540 1.159 18989 3225 1 5 . 1 1 65 65 TRP N N 65 128.000 128.000 129.700 -1.700 18989 3226 1 5 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.937 0.233 18989 3227 1 5 . 1 1 65 65 TRP C C 65 172.800 172.800 173.309 -0.509 18989 3228 1 5 . 1 1 65 65 TRP CA C 65 57.300 57.300 56.765 0.535 18989 3229 1 5 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.427 -0.527 18989 3230 1 5 . 1 1 66 66 GLU N N 66 120.800 120.800 126.241 -5.441 18989 3231 1 5 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.634 0.956 18989 3232 1 5 . 1 1 66 66 GLU C C 66 177.300 177.300 175.067 2.233 18989 3233 1 5 . 1 1 66 66 GLU CA C 66 54.200 54.200 55.028 -0.828 18989 3234 1 5 . 1 1 66 66 GLU CB C 66 32.700 32.700 31.789 0.911 18989 3235 1 5 . 1 1 67 67 THR N N 67 113.700 113.700 118.194 -4.494 18989 3236 1 5 . 1 1 67 67 THR HA H 67 4.750 4.750 4.762 -0.012 18989 3237 1 5 . 1 1 67 67 THR C C 67 173.300 173.300 173.747 -0.447 18989 3238 1 5 . 1 1 67 67 THR CA C 67 59.500 59.500 60.346 -0.846 18989 3239 1 5 . 1 1 67 67 THR CB C 67 71.500 71.500 70.717 0.783 18989 3240 1 5 . 1 1 68 68 ARG N N 68 125.300 125.300 124.942 0.358 18989 3241 1 5 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.940 -0.080 18989 3242 1 5 . 1 1 68 68 ARG C C 68 175.700 175.700 174.990 0.710 18989 3243 1 5 . 1 1 68 68 ARG CA C 68 55.000 55.000 53.856 1.144 18989 3244 1 5 . 1 1 68 68 ARG CB C 68 31.700 31.700 31.089 0.611 18989 3245 1 5 . 1 1 69 69 SER N N 69 122.000 122.000 118.364 3.636 18989 3246 1 5 . 1 1 69 69 SER HA H 69 5.570 5.570 4.917 0.653 18989 3247 1 5 . 1 1 69 69 SER C C 69 172.200 172.200 172.971 -0.771 18989 3248 1 5 . 1 1 69 69 SER CA C 69 58.000 58.000 57.097 0.903 18989 3249 1 5 . 1 1 69 69 SER CB C 69 66.700 66.700 64.563 2.137 18989 3250 1 5 . 1 1 70 70 GLU N N 70 121.900 121.900 126.822 -4.922 18989 3251 1 5 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.944 0.256 18989 3252 1 5 . 1 1 70 70 GLU C C 70 176.000 176.000 176.527 -0.527 18989 3253 1 5 . 1 1 70 70 GLU CA C 70 53.600 53.600 53.873 -0.273 18989 3254 1 5 . 1 1 70 70 GLU CB C 70 34.700 34.700 31.150 3.550 18989 3255 1 5 . 1 1 71 71 VAL N N 71 126.600 126.600 128.661 -2.061 18989 3256 1 5 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.201 0.049 18989 3257 1 5 . 1 1 71 71 VAL C C 71 177.600 177.600 176.799 0.801 18989 3258 1 5 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.327 1.473 18989 3259 1 5 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.498 1.702 18989 3260 1 5 . 1 1 72 72 ILE N N 72 123.200 123.200 125.881 -2.681 18989 3261 1 5 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.259 0.471 18989 3262 1 5 . 1 1 72 72 ILE C C 72 175.200 175.200 176.002 -0.802 18989 3263 1 5 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.788 -0.788 18989 3264 1 5 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.665 0.935 18989 3265 1 5 . 1 1 73 73 VAL N N 73 121.700 121.700 120.112 1.588 18989 3266 1 5 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.400 -0.200 18989 3267 1 5 . 1 1 73 73 VAL C C 73 172.000 172.000 173.666 -1.666 18989 3268 1 5 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.094 1.006 18989 3269 1 5 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.755 -1.055 18989 3270 1 5 . 1 1 74 74 ALA N N 74 131.100 131.100 131.216 -0.116 18989 3271 1 5 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.035 0.285 18989 3272 1 5 . 1 1 74 74 ALA C C 74 174.900 174.900 176.352 -1.452 18989 3273 1 5 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.440 1.260 18989 3274 1 5 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.112 -1.812 18989 3275 1 5 . 1 1 75 75 GLU N N 75 126.100 126.100 124.419 1.681 18989 3276 1 5 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.884 0.086 18989 3277 1 5 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.841 -0.741 18989 3278 1 5 . 1 1 75 75 GLU CB C 75 31.300 31.300 31.534 -0.234 18989 3279 1 5 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.174 -1.554 18989 3280 1 5 . 1 1 76 76 PRO CA C 76 63.900 63.900 63.821 0.080 18989 3281 1 5 . 1 1 76 76 PRO CB C 76 31.900 31.900 30.912 0.988 18989 3282 1 5 . 1 1 77 77 ASN HA H 77 3.760 3.760 3.995 -0.235 18989 3283 1 5 . 1 1 77 77 ASN C C 77 172.700 172.700 174.238 -1.538 18989 3284 1 5 . 1 1 77 77 ASN CA C 77 55.100 55.100 54.248 0.852 18989 3285 1 5 . 1 1 77 77 ASN CB C 77 36.900 36.900 37.528 -0.628 18989 3286 1 5 . 1 1 78 78 ARG N N 78 115.300 115.300 115.812 -0.512 18989 3287 1 5 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.892 0.008 18989 3288 1 5 . 1 1 78 78 ARG C C 78 176.000 176.000 174.378 1.622 18989 3289 1 5 . 1 1 78 78 ARG CA C 78 58.300 58.300 57.340 0.960 18989 3290 1 5 . 1 1 78 78 ARG CB C 78 34.000 34.000 33.944 0.056 18989 3291 1 5 . 1 1 79 79 CYS N N 79 117.700 117.700 118.244 -0.544 18989 3292 1 5 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.209 0.461 18989 3293 1 5 . 1 1 79 79 CYS C C 79 172.200 172.200 173.014 -0.814 18989 3294 1 5 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.442 -0.242 18989 3295 1 5 . 1 1 79 79 CYS CB C 79 29.500 29.500 29.404 0.096 18989 3296 1 5 . 1 1 80 80 PHE N N 80 129.500 129.500 126.965 2.535 18989 3297 1 5 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.345 0.175 18989 3298 1 5 . 1 1 80 80 PHE C C 80 173.400 173.400 174.396 -0.996 18989 3299 1 5 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.155 1.745 18989 3300 1 5 . 1 1 80 80 PHE CB C 80 43.800 43.800 41.665 2.135 18989 3301 1 5 . 1 1 81 81 GLY N N 81 114.500 114.500 114.927 -0.427 18989 3302 1 5 . 1 1 81 81 GLY C C 81 171.900 171.900 172.089 -0.189 18989 3303 1 5 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.262 2.338 18989 3304 1 5 . 1 1 82 82 TRP N N 82 121.700 121.700 120.998 0.702 18989 3305 1 5 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.667 0.123 18989 3306 1 5 . 1 1 82 82 TRP C C 82 171.500 171.500 173.652 -2.152 18989 3307 1 5 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.436 2.964 18989 3308 1 5 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.132 1.768 18989 3309 1 5 . 1 1 83 83 SER N N 83 113.600 113.600 115.700 -2.100 18989 3310 1 5 . 1 1 83 83 SER HA H 83 5.680 5.680 5.283 0.397 18989 3311 1 5 . 1 1 83 83 SER C C 83 174.500 174.500 174.453 0.047 18989 3312 1 5 . 1 1 83 83 SER CA C 83 54.800 54.800 55.827 -1.027 18989 3313 1 5 . 1 1 83 83 SER CB C 83 66.700 66.700 64.526 2.174 18989 3314 1 5 . 1 1 84 84 VAL N N 84 125.400 125.400 129.770 -4.370 18989 3315 1 5 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.169 0.681 18989 3316 1 5 . 1 1 84 84 VAL C C 84 176.500 176.500 176.961 -0.461 18989 3317 1 5 . 1 1 84 84 VAL CA C 84 61.400 61.400 63.380 -1.980 18989 3318 1 5 . 1 1 84 84 VAL CB C 84 34.600 34.600 31.681 2.919 18989 3319 1 5 . 1 1 85 85 THR N N 85 120.300 120.300 120.272 0.028 18989 3320 1 5 . 1 1 85 85 THR HA H 85 3.720 3.720 3.990 -0.270 18989 3321 1 5 . 1 1 85 85 THR C C 85 173.500 173.500 173.783 -0.283 18989 3322 1 5 . 1 1 85 85 THR CA C 85 62.900 62.900 64.920 -2.020 18989 3323 1 5 . 1 1 85 85 THR CB C 85 66.600 66.600 68.379 -1.779 18989 3324 1 5 . 1 1 86 86 ASP N N 86 119.000 119.000 122.984 -3.984 18989 3325 1 5 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.610 -0.390 18989 3326 1 5 . 1 1 86 86 ASP C C 86 177.100 177.100 175.447 1.653 18989 3327 1 5 . 1 1 86 86 ASP CA C 86 54.700 54.700 54.575 0.126 18989 3328 1 5 . 1 1 86 86 ASP CB C 86 39.700 39.700 41.380 -1.680 18989 3329 1 5 . 1 1 87 87 GLY N N 87 103.400 103.400 113.529 -10.129 18989 3330 1 5 . 1 1 87 87 GLY C C 87 175.000 175.000 173.066 1.934 18989 3331 1 5 . 1 1 87 87 GLY CA C 87 45.600 45.600 45.742 -0.143 18989 3332 1 5 . 1 1 88 88 ASN N N 88 122.300 122.300 116.450 5.850 18989 3333 1 5 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.554 -0.444 18989 3334 1 5 . 1 1 88 88 ASN C C 88 174.500 174.500 173.416 1.084 18989 3335 1 5 . 1 1 88 88 ASN CA C 88 55.600 55.600 53.921 1.679 18989 3336 1 5 . 1 1 88 88 ASN CB C 88 38.200 38.200 40.881 -2.681 18989 3337 1 5 . 1 1 89 89 VAL N N 89 115.700 115.700 120.284 -4.584 18989 3338 1 5 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.291 0.539 18989 3339 1 5 . 1 1 89 89 VAL C C 89 174.700 174.700 174.501 0.199 18989 3340 1 5 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.770 -2.170 18989 3341 1 5 . 1 1 89 89 VAL CB C 89 37.000 37.000 34.426 2.574 18989 3342 1 5 . 1 1 90 90 LYS N N 90 123.600 123.600 122.991 0.609 18989 3343 1 5 . 1 1 90 90 LYS HA H 90 5.010 5.010 5.095 -0.085 18989 3344 1 5 . 1 1 90 90 LYS C C 90 174.100 174.100 174.834 -0.734 18989 3345 1 5 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.116 -0.216 18989 3346 1 5 . 1 1 90 90 LYS CB C 90 36.300 36.300 36.516 -0.216 18989 3347 1 5 . 1 1 91 91 TRP N N 91 124.600 124.600 123.326 1.274 18989 3348 1 5 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.968 0.132 18989 3349 1 5 . 1 1 91 91 TRP C C 91 174.600 174.600 174.633 -0.033 18989 3350 1 5 . 1 1 91 91 TRP CA C 91 54.900 54.900 56.089 -1.189 18989 3351 1 5 . 1 1 91 91 TRP CB C 91 30.800 30.800 31.662 -0.862 18989 3352 1 5 . 1 1 92 92 ILE N N 92 118.000 118.000 122.624 -4.624 18989 3353 1 5 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.339 0.221 18989 3354 1 5 . 1 1 92 92 ILE C C 92 176.300 176.300 173.964 2.336 18989 3355 1 5 . 1 1 92 92 ILE CA C 92 60.800 60.800 59.170 1.630 18989 3356 1 5 . 1 1 92 92 ILE CB C 92 42.100 42.100 38.316 3.784 18989 3357 1 5 . 1 1 93 93 TYR N N 93 127.700 127.700 128.920 -1.220 18989 3358 1 5 . 1 1 93 93 TYR HA H 93 5.850 5.850 4.693 1.157 18989 3359 1 5 . 1 1 93 93 TYR C C 93 175.300 175.300 174.891 0.409 18989 3360 1 5 . 1 1 93 93 TYR CA C 93 57.100 57.100 57.187 -0.087 18989 3361 1 5 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.988 1.812 18989 3362 1 5 . 1 1 94 94 SER N N 94 117.900 117.900 119.152 -1.252 18989 3363 1 5 . 1 1 94 94 SER HA H 94 5.510 5.510 5.247 0.263 18989 3364 1 5 . 1 1 94 94 SER C C 94 172.700 172.700 173.596 -0.896 18989 3365 1 5 . 1 1 94 94 SER CA C 94 57.300 57.300 57.626 -0.326 18989 3366 1 5 . 1 1 94 94 SER CB C 94 65.600 65.600 64.345 1.255 18989 3367 1 5 . 1 1 95 95 MET N N 95 119.600 119.600 121.499 -1.899 18989 3368 1 5 . 1 1 95 95 MET HA H 95 5.840 5.840 5.466 0.374 18989 3369 1 5 . 1 1 95 95 MET C C 95 173.800 173.800 174.387 -0.587 18989 3370 1 5 . 1 1 95 95 MET CA C 95 54.200 54.200 54.727 -0.527 18989 3371 1 5 . 1 1 95 95 MET CB C 95 37.400 37.400 36.180 1.220 18989 3372 1 5 . 1 1 96 96 GLU N N 96 119.100 119.100 123.953 -4.853 18989 3373 1 5 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.989 -0.019 18989 3374 1 5 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.252 -0.351 18989 3375 1 5 . 1 1 96 96 GLU CB C 96 33.000 33.000 32.762 0.238 18989 3376 1 5 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.622 0.198 18989 3377 1 5 . 1 1 97 97 PRO C C 97 176.300 176.300 176.234 0.066 18989 3378 1 5 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.513 0.587 18989 3379 1 5 . 1 1 97 97 PRO CB C 97 32.700 32.700 32.345 0.355 18989 3380 1 5 . 1 1 98 98 LEU N N 98 122.900 122.900 122.880 0.020 18989 3381 1 5 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.673 -0.143 18989 3382 1 5 . 1 1 98 98 LEU C C 98 176.200 176.200 177.159 -0.959 18989 3383 1 5 . 1 1 98 98 LEU CA C 98 54.200 54.200 52.868 1.332 18989 3384 1 5 . 1 1 98 98 LEU CB C 98 44.100 44.100 44.637 -0.537 18989 3385 1 5 . 1 1 99 99 GLU N N 99 124.700 124.700 118.991 5.709 18989 3386 1 5 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.121 -0.261 18989 3387 1 5 . 1 1 99 99 GLU C C 99 176.900 176.900 178.341 -1.441 18989 3388 1 5 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.264 1.236 18989 3389 1 5 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.936 -1.936 18989 3390 1 5 . 1 1 100 100 GLU N N 100 118.200 118.200 119.307 -1.107 18989 3391 1 5 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.211 0.219 18989 3392 1 5 . 1 1 100 100 GLU C C 100 176.200 176.200 177.348 -1.148 18989 3393 1 5 . 1 1 100 100 GLU CA C 100 56.400 56.400 57.916 -1.516 18989 3394 1 5 . 1 1 100 100 GLU CB C 100 29.900 29.900 29.964 -0.064 18989 3395 1 5 . 1 1 101 101 GLY N N 101 110.100 110.100 105.721 4.379 18989 3396 1 5 . 1 1 101 101 GLY C C 101 174.100 174.100 172.899 1.201 18989 3397 1 5 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.265 -0.265 18989 3398 1 5 . 1 1 102 102 THR N N 102 120.200 120.200 118.389 1.811 18989 3399 1 5 . 1 1 102 102 THR HA H 102 4.850 4.850 5.009 -0.159 18989 3400 1 5 . 1 1 102 102 THR C C 102 172.700 172.700 173.095 -0.395 18989 3401 1 5 . 1 1 102 102 THR CA C 102 63.700 63.700 62.753 0.947 18989 3402 1 5 . 1 1 102 102 THR CB C 102 73.600 73.600 72.608 0.992 18989 3403 1 5 . 1 1 103 103 VAL N N 103 125.600 125.600 126.751 -1.151 18989 3404 1 5 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.480 0.430 18989 3405 1 5 . 1 1 103 103 VAL C C 103 175.000 175.000 174.555 0.445 18989 3406 1 5 . 1 1 103 103 VAL CA C 103 61.300 61.300 62.128 -0.828 18989 3407 1 5 . 1 1 103 103 VAL CB C 103 32.700 32.700 32.084 0.616 18989 3408 1 5 . 1 1 104 104 LEU N N 104 133.900 133.900 131.548 2.352 18989 3409 1 5 . 1 1 104 104 LEU HA H 104 5.140 5.140 5.081 0.059 18989 3410 1 5 . 1 1 104 104 LEU C C 104 173.800 173.800 175.500 -1.700 18989 3411 1 5 . 1 1 104 104 LEU CA C 104 53.300 53.300 53.532 -0.232 18989 3412 1 5 . 1 1 104 104 LEU CB C 104 46.100 46.100 42.494 3.606 18989 3413 1 5 . 1 1 105 105 THR N N 105 124.400 124.400 124.478 -0.078 18989 3414 1 5 . 1 1 105 105 THR HA H 105 5.210 5.210 4.720 0.490 18989 3415 1 5 . 1 1 105 105 THR C C 105 173.500 173.500 173.579 -0.079 18989 3416 1 5 . 1 1 105 105 THR CA C 105 61.500 61.500 61.528 -0.028 18989 3417 1 5 . 1 1 105 105 THR CB C 105 71.100 71.100 69.509 1.591 18989 3418 1 5 . 1 1 106 106 GLU N N 106 126.900 126.900 127.809 -0.909 18989 3419 1 5 . 1 1 106 106 GLU HA H 106 5.360 5.360 5.273 0.087 18989 3420 1 5 . 1 1 106 106 GLU C C 106 173.400 173.400 175.235 -1.835 18989 3421 1 5 . 1 1 106 106 GLU CA C 106 54.400 54.400 53.633 0.767 18989 3422 1 5 . 1 1 106 106 GLU CB C 106 32.000 32.000 31.890 0.110 18989 3423 1 5 . 1 1 107 107 SER N N 107 120.800 120.800 116.008 4.792 18989 3424 1 5 . 1 1 107 107 SER HA H 107 5.470 5.470 4.664 0.806 18989 3425 1 5 . 1 1 107 107 SER C C 107 171.600 171.600 172.913 -1.313 18989 3426 1 5 . 1 1 107 107 SER CA C 107 56.000 56.000 57.551 -1.551 18989 3427 1 5 . 1 1 107 107 SER CB C 107 66.700 66.700 64.748 1.952 18989 3428 1 5 . 1 1 108 108 TRP N N 108 124.600 124.600 131.116 -6.516 18989 3429 1 5 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.690 -0.010 18989 3430 1 5 . 1 1 108 108 TRP C C 108 175.000 175.000 174.498 0.502 18989 3431 1 5 . 1 1 108 108 TRP CA C 108 55.900 55.900 55.628 0.272 18989 3432 1 5 . 1 1 108 108 TRP CB C 108 33.600 33.600 30.649 2.950 18989 3433 1 5 . 1 1 109 109 GLU N N 109 127.200 127.200 127.572 -0.372 18989 3434 1 5 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.205 0.295 18989 3435 1 5 . 1 1 109 109 GLU C C 109 172.300 172.300 173.720 -1.420 18989 3436 1 5 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.769 -0.669 18989 3437 1 5 . 1 1 109 109 GLU CB C 109 32.900 32.900 34.035 -1.135 18989 3438 1 5 . 1 1 110 110 PHE N N 110 129.400 129.400 123.499 5.901 18989 3439 1 5 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.858 -0.168 18989 3440 1 5 . 1 1 110 110 PHE C C 110 177.100 177.100 175.507 1.593 18989 3441 1 5 . 1 1 110 110 PHE CA C 110 54.000 54.000 57.361 -3.361 18989 3442 1 5 . 1 1 110 110 PHE CB C 110 38.500 38.500 41.144 -2.644 18989 3443 1 5 . 1 1 111 111 THR N N 111 117.800 117.800 122.658 -4.858 18989 3444 1 5 . 1 1 111 111 THR HA H 111 4.510 4.510 4.500 0.010 18989 3445 1 5 . 1 1 111 111 THR CA C 111 61.800 61.800 60.748 1.052 18989 3446 1 5 . 1 1 111 111 THR CB C 111 66.100 66.100 68.349 -2.249 18989 3447 1 5 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.117 -0.127 18989 3448 1 5 . 1 1 113 113 LYS C C 113 179.200 179.200 178.174 1.026 18989 3449 1 5 . 1 1 114 114 GLY N N 114 110.100 110.100 107.493 2.607 18989 3450 1 5 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.871 0.229 18989 3451 1 5 . 1 1 115 115 GLN N N 115 121.100 121.100 120.055 1.045 18989 3452 1 5 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.555 -0.545 18989 3453 1 5 . 1 1 115 115 GLN C C 115 178.000 178.000 178.227 -0.227 18989 3454 1 5 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.476 1.424 18989 3455 1 5 . 1 1 115 115 GLN CB C 115 29.400 29.400 27.491 1.909 18989 3456 1 5 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.259 -0.119 18989 3457 1 5 . 1 1 116 116 ARG C C 116 177.900 177.900 177.785 0.115 18989 3458 1 5 . 1 1 116 116 ARG CA C 116 59.500 59.500 58.311 1.189 18989 3459 1 5 . 1 1 116 116 ARG CB C 116 30.000 30.000 30.200 -0.200 18989 3460 1 5 . 1 1 117 117 PHE N N 117 120.800 120.800 120.926 -0.126 18989 3461 1 5 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.124 0.346 18989 3462 1 5 . 1 1 117 117 PHE C C 117 178.100 178.100 176.885 1.215 18989 3463 1 5 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.655 -0.455 18989 3464 1 5 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.753 0.247 18989 3465 1 5 . 1 1 118 118 PHE N N 118 119.600 119.600 116.827 2.773 18989 3466 1 5 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.130 0.100 18989 3467 1 5 . 1 1 118 118 PHE C C 118 178.500 178.500 177.914 0.586 18989 3468 1 5 . 1 1 118 118 PHE CA C 118 62.300 62.300 62.114 0.186 18989 3469 1 5 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.235 0.965 18989 3470 1 5 . 1 1 119 119 HIS N N 119 120.900 120.900 119.340 1.560 18989 3471 1 5 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.270 0.350 18989 3472 1 5 . 1 1 119 119 HIS C C 119 178.500 178.500 177.705 0.795 18989 3473 1 5 . 1 1 119 119 HIS CA C 119 59.900 59.900 60.119 -0.219 18989 3474 1 5 . 1 1 119 119 HIS CB C 119 29.700 29.700 29.927 -0.227 18989 3475 1 5 . 1 1 120 120 ASP N N 120 120.400 120.400 119.157 1.243 18989 3476 1 5 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.388 -0.058 18989 3477 1 5 . 1 1 120 120 ASP C C 120 177.500 177.500 177.571 -0.071 18989 3478 1 5 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.143 1.057 18989 3479 1 5 . 1 1 120 120 ASP CB C 120 40.500 40.500 40.663 -0.163 18989 3480 1 5 . 1 1 121 121 LYS N N 121 118.100 118.100 118.346 -0.246 18989 3481 1 5 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.826 -0.016 18989 3482 1 5 . 1 1 121 121 LYS C C 121 178.200 178.200 177.220 0.980 18989 3483 1 5 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.993 0.107 18989 3484 1 5 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.448 0.752 18989 3485 1 5 . 1 1 122 122 PHE N N 122 112.800 112.800 113.487 -0.687 18989 3486 1 5 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.618 0.062 18989 3487 1 5 . 1 1 122 122 PHE C C 122 177.600 177.600 177.192 0.408 18989 3488 1 5 . 1 1 122 122 PHE CA C 122 58.100 58.100 58.896 -0.796 18989 3489 1 5 . 1 1 122 122 PHE CB C 122 40.000 40.000 41.101 -1.101 18989 3490 1 5 . 1 1 123 123 GLY N N 123 112.200 112.200 108.373 3.827 18989 3491 1 5 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.807 0.493 18989 3492 1 5 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.401 0.179 18989 3493 1 5 . 1 1 124 124 ASP C C 124 177.700 177.700 176.904 0.796 18989 3494 1 5 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.534 0.266 18989 3495 1 5 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.987 -0.887 18989 3496 1 5 . 1 1 125 125 LYS N N 125 118.400 118.400 115.756 2.644 18989 3497 1 5 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.551 0.119 18989 3498 1 5 . 1 1 125 125 LYS C C 125 177.100 177.100 175.569 1.531 18989 3499 1 5 . 1 1 125 125 LYS CA C 125 56.000 56.000 55.389 0.611 18989 3500 1 5 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.115 0.185 18989 3501 1 5 . 1 1 126 126 SER N N 126 116.600 116.600 115.967 0.633 18989 3502 1 5 . 1 1 126 126 SER HA H 126 3.830 3.830 4.526 -0.696 18989 3503 1 5 . 1 1 126 126 SER C C 126 175.700 175.700 175.591 0.109 18989 3504 1 5 . 1 1 126 126 SER CA C 126 62.700 62.700 60.451 2.249 18989 3505 1 5 . 1 1 126 126 SER CB C 126 63.000 63.000 63.856 -0.856 18989 3506 1 5 . 1 1 127 127 ILE N N 127 122.300 122.300 120.622 1.678 18989 3507 1 5 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.790 0.020 18989 3508 1 5 . 1 1 127 127 ILE C C 127 178.500 178.500 177.184 1.316 18989 3509 1 5 . 1 1 127 127 ILE CA C 127 65.000 65.000 63.413 1.587 18989 3510 1 5 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.196 -0.396 18989 3511 1 5 . 1 1 128 128 GLU N N 128 120.500 120.500 119.103 1.397 18989 3512 1 5 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.962 0.138 18989 3513 1 5 . 1 1 128 128 GLU C C 128 179.400 179.400 178.385 1.015 18989 3514 1 5 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.315 -0.015 18989 3515 1 5 . 1 1 128 128 GLU CB C 128 29.700 29.700 28.658 1.042 18989 3516 1 5 . 1 1 129 129 GLU N N 129 118.800 118.800 120.571 -1.771 18989 3517 1 5 . 1 1 129 129 GLU HA H 129 3.910 3.910 4.077 -0.167 18989 3518 1 5 . 1 1 129 129 GLU C C 129 179.900 179.900 178.797 1.103 18989 3519 1 5 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.815 0.185 18989 3520 1 5 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.134 0.066 18989 3521 1 5 . 1 1 130 130 ILE N N 130 122.700 122.700 115.889 6.811 18989 3522 1 5 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.654 -0.174 18989 3523 1 5 . 1 1 130 130 ILE C C 130 177.600 177.600 178.087 -0.487 18989 3524 1 5 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.626 1.774 18989 3525 1 5 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.310 0.990 18989 3526 1 5 . 1 1 131 131 GLU N N 131 120.100 120.100 120.884 -0.784 18989 3527 1 5 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.958 0.432 18989 3528 1 5 . 1 1 131 131 GLU C C 131 178.800 178.800 178.604 0.196 18989 3529 1 5 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.434 -0.834 18989 3530 1 5 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.334 -0.434 18989 3531 1 5 . 1 1 132 132 LYS N N 132 118.300 118.300 120.016 -1.716 18989 3532 1 5 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.904 0.056 18989 3533 1 5 . 1 1 132 132 LYS C C 132 180.400 180.400 179.267 1.133 18989 3534 1 5 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.541 0.759 18989 3535 1 5 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.424 0.276 18989 3536 1 5 . 1 1 133 133 ARG N N 133 118.400 118.400 117.196 1.204 18989 3537 1 5 . 1 1 133 133 ARG HA H 133 4.060 4.060 4.111 -0.051 18989 3538 1 5 . 1 1 133 133 ARG C C 133 178.600 178.600 178.870 -0.270 18989 3539 1 5 . 1 1 133 133 ARG CA C 133 58.000 58.000 59.274 -1.274 18989 3540 1 5 . 1 1 133 133 ARG CB C 133 29.400 29.400 30.361 -0.961 18989 3541 1 5 . 1 1 134 134 ARG N N 134 122.500 122.500 120.744 1.756 18989 3542 1 5 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.430 -0.820 18989 3543 1 5 . 1 1 134 134 ARG C C 134 177.600 177.600 178.571 -0.971 18989 3544 1 5 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.268 0.132 18989 3545 1 5 . 1 1 134 134 ARG CB C 134 31.000 31.000 29.753 1.247 18989 3546 1 5 . 1 1 135 135 LEU N N 135 118.200 118.200 120.252 -2.052 18989 3547 1 5 . 1 1 135 135 LEU HA H 135 3.810 3.810 4.099 -0.289 18989 3548 1 5 . 1 1 135 135 LEU C C 135 179.700 179.700 178.904 0.796 18989 3549 1 5 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.441 0.259 18989 3550 1 5 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.763 -0.363 18989 3551 1 5 . 1 1 136 136 ALA N N 136 120.400 120.400 121.207 -0.807 18989 3552 1 5 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.995 0.035 18989 3553 1 5 . 1 1 136 136 ALA C C 136 180.500 180.500 179.443 1.057 18989 3554 1 5 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.867 -0.167 18989 3555 1 5 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.955 0.145 18989 3556 1 5 . 1 1 137 137 ALA N N 137 123.200 123.200 121.600 1.600 18989 3557 1 5 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.885 0.015 18989 3558 1 5 . 1 1 137 137 ALA C C 137 178.700 178.700 179.114 -0.414 18989 3559 1 5 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.881 0.419 18989 3560 1 5 . 1 1 137 137 ALA CB C 137 15.800 15.800 18.358 -2.558 18989 3561 1 5 . 1 1 138 138 ILE N N 138 115.400 115.400 116.866 -1.466 18989 3562 1 5 . 1 1 138 138 ILE HA H 138 2.830 2.830 3.497 -0.667 18989 3563 1 5 . 1 1 138 138 ILE C C 138 177.800 177.800 177.269 0.531 18989 3564 1 5 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.400 -0.200 18989 3565 1 5 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.519 -0.119 18989 3566 1 5 . 1 1 139 139 THR N N 139 109.500 109.500 113.213 -3.713 18989 3567 1 5 . 1 1 139 139 THR HA H 139 4.150 4.150 4.194 -0.044 18989 3568 1 5 . 1 1 139 139 THR C C 139 177.300 177.300 176.433 0.867 18989 3569 1 5 . 1 1 139 139 THR CA C 139 64.000 64.000 65.770 -1.770 18989 3570 1 5 . 1 1 139 139 THR CB C 139 69.600 69.600 69.330 0.270 18989 3571 1 5 . 1 1 140 140 GLY N N 140 110.800 110.800 110.071 0.729 18989 3572 1 5 . 1 1 140 140 GLY C C 140 176.700 176.700 176.186 0.514 18989 3573 1 5 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.542 0.258 18989 3574 1 5 . 1 1 141 141 ILE N N 141 122.700 122.700 122.366 0.334 18989 3575 1 5 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.007 0.153 18989 3576 1 5 . 1 1 141 141 ILE CA C 141 68.300 68.300 67.387 0.913 18989 3577 1 5 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.073 0.227 18989 3578 1 5 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.510 -0.160 18989 3579 1 5 . 1 1 142 142 PRO C C 142 179.300 179.300 179.040 0.260 18989 3580 1 5 . 1 1 142 142 PRO CA C 142 66.700 66.700 66.017 0.683 18989 3581 1 5 . 1 1 142 142 PRO CB C 142 31.200 31.200 30.971 0.229 18989 3582 1 5 . 1 1 143 143 GLU N N 143 113.900 113.900 118.243 -4.343 18989 3583 1 5 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.108 0.062 18989 3584 1 5 . 1 1 143 143 GLU C C 143 179.600 179.600 178.845 0.755 18989 3585 1 5 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.377 -0.077 18989 3586 1 5 . 1 1 143 143 GLU CB C 143 30.000 30.000 29.350 0.650 18989 3587 1 5 . 1 1 144 144 THR N N 144 119.900 119.900 117.469 2.431 18989 3588 1 5 . 1 1 144 144 THR HA H 144 4.290 4.290 4.113 0.177 18989 3589 1 5 . 1 1 144 144 THR C C 144 175.800 175.800 176.926 -1.126 18989 3590 1 5 . 1 1 144 144 THR CA C 144 67.000 67.000 66.522 0.478 18989 3591 1 5 . 1 1 144 144 THR CB C 144 69.500 69.500 68.644 0.856 18989 3592 1 5 . 1 1 145 145 LEU N N 145 120.300 120.300 121.510 -1.210 18989 3593 1 5 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.133 -0.223 18989 3594 1 5 . 1 1 145 145 LEU C C 145 178.700 178.700 178.894 -0.194 18989 3595 1 5 . 1 1 145 145 LEU CA C 145 58.600 58.600 57.964 0.636 18989 3596 1 5 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.749 -0.249 18989 3597 1 5 . 1 1 146 146 VAL N N 146 117.600 117.600 118.557 -0.957 18989 3598 1 5 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.722 -0.042 18989 3599 1 5 . 1 1 146 146 VAL C C 146 177.700 177.700 177.726 -0.026 18989 3600 1 5 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.654 -0.554 18989 3601 1 5 . 1 1 146 146 VAL CB C 146 32.000 32.000 30.937 1.063 18989 3602 1 5 . 1 1 147 147 ALA N N 147 123.600 123.600 123.288 0.312 18989 3603 1 5 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.139 0.091 18989 3604 1 5 . 1 1 147 147 ALA C C 147 180.400 180.400 179.843 0.557 18989 3605 1 5 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.216 0.384 18989 3606 1 5 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.020 0.780 18989 3607 1 5 . 1 1 148 148 ILE N N 148 119.600 119.600 119.624 -0.024 18989 3608 1 5 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.612 -0.302 18989 3609 1 5 . 1 1 148 148 ILE C C 148 177.100 177.100 177.901 -0.801 18989 3610 1 5 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.330 0.970 18989 3611 1 5 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.875 0.325 18989 3612 1 5 . 1 1 149 149 GLN N N 149 119.200 119.200 119.798 -0.598 18989 3613 1 5 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.907 -0.237 18989 3614 1 5 . 1 1 149 149 GLN C C 149 178.000 178.000 177.900 0.100 18989 3615 1 5 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.396 0.704 18989 3616 1 5 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.756 0.844 18989 3617 1 5 . 1 1 150 150 ARG N N 150 120.500 120.500 119.750 0.750 18989 3618 1 5 . 1 1 150 150 ARG HA H 150 4.050 4.050 3.979 0.071 18989 3619 1 5 . 1 1 150 150 ARG C C 150 179.000 179.000 178.615 0.385 18989 3620 1 5 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.728 -0.428 18989 3621 1 5 . 1 1 150 150 ARG CB C 150 30.000 30.000 30.049 -0.049 18989 3622 1 5 . 1 1 151 151 ILE N N 151 119.100 119.100 119.119 -0.019 18989 3623 1 5 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.827 -0.177 18989 3624 1 5 . 1 1 151 151 ILE C C 151 178.500 178.500 177.263 1.237 18989 3625 1 5 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.068 1.232 18989 3626 1 5 . 1 1 151 151 ILE CB C 151 39.000 39.000 38.115 0.885 18989 3627 1 5 . 1 1 152 152 LEU N N 152 117.100 117.100 120.856 -3.756 18989 3628 1 5 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.961 0.119 18989 3629 1 5 . 1 1 152 152 LEU C C 152 178.700 178.700 179.183 -0.483 18989 3630 1 5 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.964 -0.964 18989 3631 1 5 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.709 1.191 18989 3632 1 5 . 1 1 153 153 GLU N N 153 117.800 117.800 118.982 -1.182 18989 3633 1 5 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.972 0.198 18989 3634 1 5 . 1 1 153 153 GLU C C 153 178.300 178.300 179.532 -1.232 18989 3635 1 5 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.362 -0.662 18989 3636 1 5 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.327 -0.027 18989 3637 1 5 . 1 1 154 154 VAL N N 154 119.500 119.500 119.236 0.264 18989 3638 1 5 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.781 0.219 18989 3639 1 5 . 1 1 154 154 VAL C C 154 177.500 177.500 178.394 -0.894 18989 3640 1 5 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.030 -1.330 18989 3641 1 5 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.543 0.657 18989 3642 1 5 . 1 1 155 155 GLU N N 155 121.300 121.300 118.689 2.611 18989 3643 1 5 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.274 -0.094 18989 3644 1 5 . 1 1 155 155 GLU C C 155 177.600 177.600 178.565 -0.965 18989 3645 1 5 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.544 -0.544 18989 3646 1 5 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.649 0.051 18989 3647 1 5 . 1 1 156 156 LEU N N 156 120.800 120.800 117.447 3.353 18989 3648 1 5 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.219 0.011 18989 3649 1 5 . 1 1 156 156 LEU C C 156 178.000 178.000 178.313 -0.313 18989 3650 1 5 . 1 1 156 156 LEU CA C 156 56.200 56.200 56.296 -0.096 18989 3651 1 5 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.186 0.114 18989 3652 1 5 . 1 1 157 157 GLU N N 157 119.700 119.700 116.335 3.365 18989 3653 1 5 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.242 -0.112 18989 3654 1 5 . 1 1 157 157 GLU C C 157 177.000 177.000 177.100 -0.100 18989 3655 1 5 . 1 1 157 157 GLU CA C 157 57.400 57.400 57.177 0.223 18989 3656 1 5 . 1 1 157 157 GLU CB C 157 29.800 29.800 30.381 -0.581 18989 3657 1 5 . 1 1 158 158 HIS N N 158 117.700 117.700 118.831 -1.131 18989 3658 1 5 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.576 0.054 18989 3659 1 5 . 1 1 158 158 HIS C C 158 173.900 173.900 175.208 -1.308 18989 3660 1 5 . 1 1 158 158 HIS CA C 158 56.000 56.000 55.459 0.541 18989 3661 1 5 . 1 1 158 158 HIS CB C 158 30.000 30.000 30.533 -0.533 18989 3662 1 5 . 1 1 159 159 HIS N N 159 125.200 125.200 122.903 2.297 18989 3663 1 5 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.365 0.075 18989 3664 1 5 . 1 1 159 159 HIS CA C 159 57.300 57.300 56.828 0.472 18989 3665 1 5 . 1 1 159 159 HIS CB C 159 28.800 28.800 30.081 -1.280 18989 3666 1 6 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.761 -0.361 18989 3667 1 6 . 1 1 2 2 PRO CA C 2 62.400 62.400 62.755 -0.355 18989 3668 1 6 . 1 1 2 2 PRO CB C 2 32.800 32.800 31.929 0.871 18989 3669 1 6 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.027 0.453 18989 3670 1 6 . 1 1 3 3 LYS C C 3 176.600 176.600 175.849 0.751 18989 3671 1 6 . 1 1 3 3 LYS CA C 3 55.900 55.900 57.945 -2.045 18989 3672 1 6 . 1 1 3 3 LYS CB C 3 34.200 34.200 32.940 1.260 18989 3673 1 6 . 1 1 4 4 SER N N 4 117.800 117.800 111.147 6.653 18989 3674 1 6 . 1 1 4 4 SER HA H 4 4.220 4.220 4.799 -0.579 18989 3675 1 6 . 1 1 4 4 SER C C 4 174.100 174.100 173.622 0.478 18989 3676 1 6 . 1 1 4 4 SER CA C 4 59.700 59.700 56.662 3.038 18989 3677 1 6 . 1 1 4 4 SER CB C 4 63.700 63.700 64.892 -1.192 18989 3678 1 6 . 1 1 5 5 LEU N N 5 124.700 124.700 122.662 2.038 18989 3679 1 6 . 1 1 5 5 LEU HA H 5 4.800 4.800 5.011 -0.211 18989 3680 1 6 . 1 1 5 5 LEU C C 5 175.500 175.500 175.256 0.244 18989 3681 1 6 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.065 -0.065 18989 3682 1 6 . 1 1 5 5 LEU CB C 5 43.200 43.200 43.898 -0.698 18989 3683 1 6 . 1 1 6 6 THR N N 6 111.200 111.200 113.374 -2.174 18989 3684 1 6 . 1 1 6 6 THR HA H 6 5.620 5.620 4.808 0.812 18989 3685 1 6 . 1 1 6 6 THR C C 6 174.500 174.500 173.355 1.145 18989 3686 1 6 . 1 1 6 6 THR CA C 6 59.700 59.700 59.974 -0.274 18989 3687 1 6 . 1 1 6 6 THR CB C 6 73.000 73.000 71.140 1.860 18989 3688 1 6 . 1 1 7 7 PHE N N 7 120.700 120.700 123.551 -2.851 18989 3689 1 6 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.955 -0.205 18989 3690 1 6 . 1 1 7 7 PHE C C 7 172.100 172.100 173.315 -1.215 18989 3691 1 6 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.629 1.671 18989 3692 1 6 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.469 0.031 18989 3693 1 6 . 1 1 8 8 GLU N N 8 122.100 122.100 121.924 0.176 18989 3694 1 6 . 1 1 8 8 GLU HA H 8 5.380 5.380 4.608 0.772 18989 3695 1 6 . 1 1 8 8 GLU C C 8 172.500 172.500 173.879 -1.379 18989 3696 1 6 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.661 -0.161 18989 3697 1 6 . 1 1 8 8 GLU CB C 8 33.500 33.500 32.957 0.543 18989 3698 1 6 . 1 1 9 9 ASP N N 9 117.400 117.400 118.289 -0.889 18989 3699 1 6 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.783 0.037 18989 3700 1 6 . 1 1 9 9 ASP C C 9 173.500 173.500 173.930 -0.430 18989 3701 1 6 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.853 -0.753 18989 3702 1 6 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.476 0.624 18989 3703 1 6 . 1 1 10 10 SER N N 10 113.600 113.600 116.913 -3.313 18989 3704 1 6 . 1 1 10 10 SER HA H 10 5.990 5.990 5.694 0.296 18989 3705 1 6 . 1 1 10 10 SER C C 10 172.600 172.600 173.204 -0.604 18989 3706 1 6 . 1 1 10 10 SER CA C 10 57.300 57.300 57.293 0.007 18989 3707 1 6 . 1 1 10 10 SER CB C 10 68.100 68.100 66.066 2.034 18989 3708 1 6 . 1 1 11 11 ILE N N 11 122.700 122.700 123.577 -0.877 18989 3709 1 6 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.494 0.026 18989 3710 1 6 . 1 1 11 11 ILE C C 11 171.300 171.300 173.493 -2.193 18989 3711 1 6 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.388 0.612 18989 3712 1 6 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.155 1.245 18989 3713 1 6 . 1 1 12 12 ASN N N 12 124.600 124.600 125.792 -1.192 18989 3714 1 6 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.993 0.287 18989 3715 1 6 . 1 1 12 12 ASN C C 12 174.700 174.700 174.622 0.078 18989 3716 1 6 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.756 -0.456 18989 3717 1 6 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.897 -0.297 18989 3718 1 6 . 1 1 13 13 ILE N N 13 122.900 122.900 123.362 -0.462 18989 3719 1 6 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.393 0.057 18989 3720 1 6 . 1 1 13 13 ILE C C 13 175.300 175.300 175.802 -0.502 18989 3721 1 6 . 1 1 13 13 ILE CA C 13 60.300 60.300 59.766 0.534 18989 3722 1 6 . 1 1 13 13 ILE CB C 13 41.600 41.600 41.331 0.269 18989 3723 1 6 . 1 1 14 14 ALA N N 14 136.600 136.600 127.780 8.820 18989 3724 1 6 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.445 0.255 18989 3725 1 6 . 1 1 14 14 ALA C C 14 175.100 175.100 177.348 -2.248 18989 3726 1 6 . 1 1 14 14 ALA CA C 14 51.000 51.000 52.861 -1.861 18989 3727 1 6 . 1 1 14 14 ALA CB C 14 16.300 16.300 18.785 -2.485 18989 3728 1 6 . 1 1 15 15 ALA N N 15 122.100 122.100 122.529 -0.429 18989 3729 1 6 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.564 0.196 18989 3730 1 6 . 1 1 15 15 ALA CA C 15 50.000 50.000 49.349 0.651 18989 3731 1 6 . 1 1 15 15 ALA CB C 15 21.100 21.100 18.912 2.188 18989 3732 1 6 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.454 0.156 18989 3733 1 6 . 1 1 16 16 PRO C C 16 179.200 179.200 177.674 1.526 18989 3734 1 6 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.585 -0.485 18989 3735 1 6 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.886 0.214 18989 3736 1 6 . 1 1 17 17 ILE N N 17 124.400 124.400 121.554 2.846 18989 3737 1 6 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.708 0.282 18989 3738 1 6 . 1 1 17 17 ILE C C 17 175.800 175.800 176.900 -1.100 18989 3739 1 6 . 1 1 17 17 ILE CA C 17 65.700 65.700 65.063 0.637 18989 3740 1 6 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.236 0.464 18989 3741 1 6 . 1 1 18 18 ASN N N 18 117.200 117.200 116.591 0.609 18989 3742 1 6 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.338 0.352 18989 3743 1 6 . 1 1 18 18 ASN C C 18 178.700 178.700 177.425 1.275 18989 3744 1 6 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.342 -0.542 18989 3745 1 6 . 1 1 18 18 ASN CB C 18 37.100 37.100 38.178 -1.078 18989 3746 1 6 . 1 1 19 19 GLN N N 19 120.300 120.300 119.642 0.658 18989 3747 1 6 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.165 -0.045 18989 3748 1 6 . 1 1 19 19 GLN C C 19 178.500 178.500 178.436 0.064 18989 3749 1 6 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.468 -0.168 18989 3750 1 6 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.288 0.012 18989 3751 1 6 . 1 1 20 20 VAL N N 20 120.300 120.300 119.857 0.443 18989 3752 1 6 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.708 -0.258 18989 3753 1 6 . 1 1 20 20 VAL C C 20 177.500 177.500 177.960 -0.460 18989 3754 1 6 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.121 0.078 18989 3755 1 6 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.185 -0.285 18989 3756 1 6 . 1 1 21 21 TYR N N 21 118.800 118.800 121.538 -2.738 18989 3757 1 6 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.036 -0.456 18989 3758 1 6 . 1 1 21 21 TYR C C 21 177.800 177.800 176.935 0.865 18989 3759 1 6 . 1 1 21 21 TYR CA C 21 62.900 62.900 62.035 0.865 18989 3760 1 6 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.495 -0.095 18989 3761 1 6 . 1 1 22 22 ALA N N 22 120.400 120.400 121.452 -1.052 18989 3762 1 6 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.995 -0.235 18989 3763 1 6 . 1 1 22 22 ALA C C 22 178.000 178.000 179.168 -1.168 18989 3764 1 6 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.661 0.039 18989 3765 1 6 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.161 0.339 18989 3766 1 6 . 1 1 23 23 LEU N N 23 116.400 116.400 118.726 -2.326 18989 3767 1 6 . 1 1 23 23 LEU HA H 23 4.230 4.230 3.971 0.259 18989 3768 1 6 . 1 1 23 23 LEU C C 23 177.200 177.200 179.019 -1.819 18989 3769 1 6 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.389 0.611 18989 3770 1 6 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.241 1.159 18989 3771 1 6 . 1 1 24 24 VAL N N 24 128.600 128.600 117.124 11.476 18989 3772 1 6 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.572 -0.212 18989 3773 1 6 . 1 1 24 24 VAL C C 24 175.200 175.200 176.942 -1.742 18989 3774 1 6 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.622 -0.322 18989 3775 1 6 . 1 1 24 24 VAL CB C 24 30.800 30.800 31.109 -0.309 18989 3776 1 6 . 1 1 25 25 SER N N 25 108.500 108.500 111.697 -3.197 18989 3777 1 6 . 1 1 25 25 SER HA H 25 2.520 2.520 3.835 -1.315 18989 3778 1 6 . 1 1 25 25 SER CA C 25 58.200 58.200 58.791 -0.591 18989 3779 1 6 . 1 1 25 25 SER CB C 25 63.600 63.600 62.828 0.772 18989 3780 1 6 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.351 0.559 18989 3781 1 6 . 1 1 26 26 ASP C C 26 175.500 175.500 176.322 -0.822 18989 3782 1 6 . 1 1 26 26 ASP CA C 26 51.200 51.200 54.363 -3.163 18989 3783 1 6 . 1 1 26 26 ASP CB C 26 38.100 38.100 39.780 -1.680 18989 3784 1 6 . 1 1 27 27 ILE N N 27 123.500 123.500 119.454 4.046 18989 3785 1 6 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.047 -0.657 18989 3786 1 6 . 1 1 27 27 ILE C C 27 178.900 178.900 176.151 2.749 18989 3787 1 6 . 1 1 27 27 ILE CA C 27 61.700 61.700 61.432 0.268 18989 3788 1 6 . 1 1 27 27 ILE CB C 27 36.600 36.600 38.275 -1.675 18989 3789 1 6 . 1 1 28 28 THR N N 28 112.500 112.500 113.031 -0.531 18989 3790 1 6 . 1 1 28 28 THR HA H 28 4.350 4.350 4.193 0.157 18989 3791 1 6 . 1 1 28 28 THR C C 28 176.500 176.500 173.937 2.563 18989 3792 1 6 . 1 1 28 28 THR CA C 28 64.000 64.000 60.364 3.636 18989 3793 1 6 . 1 1 28 28 THR CB C 28 68.600 68.600 67.887 0.713 18989 3794 1 6 . 1 1 29 29 ARG N N 29 121.100 121.100 127.780 -6.680 18989 3795 1 6 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.143 0.137 18989 3796 1 6 . 1 1 29 29 ARG CA C 29 56.200 56.200 56.198 0.002 18989 3797 1 6 . 1 1 29 29 ARG CB C 29 30.600 30.600 28.619 1.981 18989 3798 1 6 . 1 1 30 30 THR HA H 30 5.870 5.870 4.022 1.848 18989 3799 1 6 . 1 1 30 30 THR C C 30 174.000 174.000 174.140 -0.140 18989 3800 1 6 . 1 1 30 30 THR CA C 30 66.000 66.000 62.633 3.367 18989 3801 1 6 . 1 1 30 30 THR CB C 30 69.400 69.400 67.603 1.798 18989 3802 1 6 . 1 1 31 31 GLY N N 31 106.200 106.200 110.813 -4.613 18989 3803 1 6 . 1 1 31 31 GLY C C 31 175.200 175.200 173.490 1.710 18989 3804 1 6 . 1 1 31 31 GLY CA C 31 46.200 46.200 44.167 2.033 18989 3805 1 6 . 1 1 32 32 GLU N N 32 118.400 118.400 122.925 -4.525 18989 3806 1 6 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.322 -0.352 18989 3807 1 6 . 1 1 32 32 GLU C C 32 177.500 177.500 176.232 1.268 18989 3808 1 6 . 1 1 32 32 GLU CA C 32 58.800 58.800 56.569 2.231 18989 3809 1 6 . 1 1 32 32 GLU CB C 32 29.800 29.800 30.652 -0.852 18989 3810 1 6 . 1 1 33 33 TRP N N 33 113.200 113.200 122.081 -8.881 18989 3811 1 6 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.873 0.067 18989 3812 1 6 . 1 1 33 33 TRP C C 33 175.300 175.300 176.178 -0.878 18989 3813 1 6 . 1 1 33 33 TRP CA C 33 56.400 56.400 56.971 -0.570 18989 3814 1 6 . 1 1 33 33 TRP CB C 33 30.600 30.600 28.478 2.122 18989 3815 1 6 . 1 1 34 34 SER N N 34 118.600 118.600 117.970 0.630 18989 3816 1 6 . 1 1 34 34 SER HA H 34 4.930 4.930 4.912 0.018 18989 3817 1 6 . 1 1 34 34 SER CA C 34 54.700 54.700 55.426 -0.726 18989 3818 1 6 . 1 1 34 34 SER CB C 34 63.000 63.000 63.540 -0.540 18989 3819 1 6 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.526 -0.066 18989 3820 1 6 . 1 1 35 35 PRO C C 35 177.100 177.100 177.319 -0.219 18989 3821 1 6 . 1 1 35 35 PRO CA C 35 64.500 64.500 64.617 -0.117 18989 3822 1 6 . 1 1 35 35 PRO CB C 35 32.300 32.300 32.081 0.219 18989 3823 1 6 . 1 1 36 36 VAL N N 36 113.900 113.900 110.573 3.327 18989 3824 1 6 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.297 -0.197 18989 3825 1 6 . 1 1 36 36 VAL C C 36 174.200 174.200 175.388 -1.188 18989 3826 1 6 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.691 0.209 18989 3827 1 6 . 1 1 36 36 VAL CB C 36 32.500 32.500 32.551 -0.051 18989 3828 1 6 . 1 1 37 37 CYS N N 37 121.000 121.000 114.295 6.705 18989 3829 1 6 . 1 1 37 37 CYS HA H 37 4.460 4.460 5.035 -0.575 18989 3830 1 6 . 1 1 37 37 CYS C C 37 173.600 173.600 173.175 0.425 18989 3831 1 6 . 1 1 37 37 CYS CA C 37 58.500 58.500 56.630 1.870 18989 3832 1 6 . 1 1 37 37 CYS CB C 37 27.000 27.000 31.252 -4.252 18989 3833 1 6 . 1 1 38 38 GLU N N 38 129.300 129.300 120.941 8.359 18989 3834 1 6 . 1 1 38 38 GLU HA H 38 4.140 4.140 3.982 0.158 18989 3835 1 6 . 1 1 38 38 GLU C C 38 176.500 176.500 175.394 1.106 18989 3836 1 6 . 1 1 38 38 GLU CA C 38 57.900 57.900 55.723 2.177 18989 3837 1 6 . 1 1 38 38 GLU CB C 38 31.800 31.800 32.214 -0.414 18989 3838 1 6 . 1 1 39 39 LYS N N 39 117.100 117.100 118.518 -1.418 18989 3839 1 6 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.428 0.042 18989 3840 1 6 . 1 1 39 39 LYS C C 39 173.600 173.600 173.922 -0.322 18989 3841 1 6 . 1 1 39 39 LYS CA C 39 55.800 55.800 56.262 -0.462 18989 3842 1 6 . 1 1 39 39 LYS CB C 39 36.500 36.500 35.341 1.159 18989 3843 1 6 . 1 1 40 40 CYS N N 40 125.100 125.100 123.112 1.988 18989 3844 1 6 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.095 0.315 18989 3845 1 6 . 1 1 40 40 CYS C C 40 173.000 173.000 174.231 -1.231 18989 3846 1 6 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.970 -0.870 18989 3847 1 6 . 1 1 40 40 CYS CB C 40 30.100 30.100 30.506 -0.406 18989 3848 1 6 . 1 1 41 41 TRP N N 41 124.300 124.300 125.475 -1.175 18989 3849 1 6 . 1 1 41 41 TRP HA H 41 4.830 4.830 5.093 -0.263 18989 3850 1 6 . 1 1 41 41 TRP C C 41 174.100 174.100 174.699 -0.599 18989 3851 1 6 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.380 -0.080 18989 3852 1 6 . 1 1 41 41 TRP CB C 41 32.400 32.400 31.380 1.020 18989 3853 1 6 . 1 1 42 42 TRP N N 42 123.700 123.700 124.310 -0.610 18989 3854 1 6 . 1 1 42 42 TRP HA H 42 4.830 4.830 5.994 -1.164 18989 3855 1 6 . 1 1 42 42 TRP C C 42 178.200 178.200 176.437 1.763 18989 3856 1 6 . 1 1 42 42 TRP CA C 42 57.000 57.000 54.983 2.017 18989 3857 1 6 . 1 1 42 42 TRP CB C 42 31.600 31.600 31.692 -0.091 18989 3858 1 6 . 1 1 43 43 ASP N N 43 124.400 124.400 125.794 -1.394 18989 3859 1 6 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.658 0.022 18989 3860 1 6 . 1 1 43 43 ASP C C 43 176.300 176.300 177.580 -1.280 18989 3861 1 6 . 1 1 43 43 ASP CA C 43 56.300 56.300 57.294 -0.994 18989 3862 1 6 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.561 -0.261 18989 3863 1 6 . 1 1 44 44 GLU N N 44 119.400 119.400 120.372 -0.972 18989 3864 1 6 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.269 0.001 18989 3865 1 6 . 1 1 44 44 GLU C C 44 176.500 176.500 177.594 -1.094 18989 3866 1 6 . 1 1 44 44 GLU CA C 44 57.600 57.600 59.156 -1.556 18989 3867 1 6 . 1 1 44 44 GLU CB C 44 30.200 30.200 29.884 0.316 18989 3868 1 6 . 1 1 45 45 ASP N N 45 118.300 118.300 118.663 -0.363 18989 3869 1 6 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.501 -0.021 18989 3870 1 6 . 1 1 45 45 ASP C C 45 175.900 175.900 178.341 -2.441 18989 3871 1 6 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.733 -0.733 18989 3872 1 6 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.638 -0.438 18989 3873 1 6 . 1 1 46 46 GLU N N 46 118.200 118.200 118.268 -0.068 18989 3874 1 6 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.235 0.225 18989 3875 1 6 . 1 1 46 46 GLU C C 46 175.200 175.200 176.835 -1.635 18989 3876 1 6 . 1 1 46 46 GLU CA C 46 56.600 56.600 57.085 -0.485 18989 3877 1 6 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.336 0.464 18989 3878 1 6 . 1 1 47 47 GLY N N 47 106.400 106.400 106.394 0.006 18989 3879 1 6 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.582 -0.982 18989 3880 1 6 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.677 -0.087 18989 3881 1 6 . 1 1 48 48 PRO C C 48 173.400 173.400 176.260 -2.860 18989 3882 1 6 . 1 1 48 48 PRO CA C 48 63.100 63.100 63.192 -0.092 18989 3883 1 6 . 1 1 48 48 PRO CB C 48 29.100 29.100 30.633 -1.533 18989 3884 1 6 . 1 1 49 49 VAL N N 49 121.900 121.900 117.009 4.891 18989 3885 1 6 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.570 0.040 18989 3886 1 6 . 1 1 49 49 VAL C C 49 175.100 175.100 175.286 -0.186 18989 3887 1 6 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.420 0.880 18989 3888 1 6 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.684 0.816 18989 3889 1 6 . 1 1 50 50 VAL N N 50 121.700 121.700 122.515 -0.815 18989 3890 1 6 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.764 -0.464 18989 3891 1 6 . 1 1 50 50 VAL C C 50 177.400 177.400 176.606 0.794 18989 3892 1 6 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.946 2.254 18989 3893 1 6 . 1 1 50 50 VAL CB C 50 31.300 31.300 29.501 1.799 18989 3894 1 6 . 1 1 51 51 GLY N N 51 115.800 115.800 115.727 0.073 18989 3895 1 6 . 1 1 51 51 GLY C C 51 174.200 174.200 173.252 0.948 18989 3896 1 6 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.679 -0.079 18989 3897 1 6 . 1 1 52 52 ALA N N 52 123.000 123.000 125.257 -2.257 18989 3898 1 6 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.028 0.522 18989 3899 1 6 . 1 1 52 52 ALA C C 52 177.300 177.300 176.810 0.490 18989 3900 1 6 . 1 1 52 52 ALA CA C 52 52.800 52.800 52.201 0.599 18989 3901 1 6 . 1 1 52 52 ALA CB C 52 23.100 23.100 18.627 4.473 18989 3902 1 6 . 1 1 53 53 HIS N N 53 115.900 115.900 124.610 -8.710 18989 3903 1 6 . 1 1 53 53 HIS HA H 53 6.020 6.020 4.679 1.341 18989 3904 1 6 . 1 1 53 53 HIS C C 53 174.200 174.200 174.550 -0.350 18989 3905 1 6 . 1 1 53 53 HIS CA C 53 55.200 55.200 55.564 -0.364 18989 3906 1 6 . 1 1 53 53 HIS CB C 53 32.100 32.100 30.561 1.539 18989 3907 1 6 . 1 1 54 54 PHE N N 54 115.800 115.800 123.413 -7.613 18989 3908 1 6 . 1 1 54 54 PHE HA H 54 5.150 5.150 5.304 -0.154 18989 3909 1 6 . 1 1 54 54 PHE C C 54 172.600 172.600 175.553 -2.953 18989 3910 1 6 . 1 1 54 54 PHE CA C 54 55.500 55.500 55.623 -0.123 18989 3911 1 6 . 1 1 54 54 PHE CB C 54 41.700 41.700 38.948 2.752 18989 3912 1 6 . 1 1 55 55 THR N N 55 118.300 118.300 121.970 -3.670 18989 3913 1 6 . 1 1 55 55 THR HA H 55 4.770 4.770 5.178 -0.408 18989 3914 1 6 . 1 1 55 55 THR C C 55 171.800 171.800 174.074 -2.274 18989 3915 1 6 . 1 1 55 55 THR CA C 55 61.000 61.000 61.776 -0.777 18989 3916 1 6 . 1 1 55 55 THR CB C 55 70.200 70.200 69.437 0.763 18989 3917 1 6 . 1 1 56 56 GLY N N 56 110.500 110.500 112.924 -2.424 18989 3918 1 6 . 1 1 56 56 GLY C C 56 171.100 171.100 172.124 -1.024 18989 3919 1 6 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.447 -0.147 18989 3920 1 6 . 1 1 57 57 ARG N N 57 123.800 123.800 126.212 -2.412 18989 3921 1 6 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.100 0.560 18989 3922 1 6 . 1 1 57 57 ARG C C 57 172.900 172.900 174.776 -1.876 18989 3923 1 6 . 1 1 57 57 ARG CA C 57 55.300 55.300 55.725 -0.425 18989 3924 1 6 . 1 1 57 57 ARG CB C 57 32.500 32.500 31.549 0.951 18989 3925 1 6 . 1 1 58 58 ASN N N 58 127.200 127.200 125.153 2.047 18989 3926 1 6 . 1 1 58 58 ASN HA H 58 5.060 5.060 4.741 0.319 18989 3927 1 6 . 1 1 58 58 ASN C C 58 173.100 173.100 173.368 -0.268 18989 3928 1 6 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.133 -1.233 18989 3929 1 6 . 1 1 58 58 ASN CB C 58 38.800 38.800 40.175 -1.375 18989 3930 1 6 . 1 1 59 59 VAL N N 59 121.400 121.400 126.879 -5.479 18989 3931 1 6 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.373 0.307 18989 3932 1 6 . 1 1 59 59 VAL C C 59 175.100 175.100 174.341 0.759 18989 3933 1 6 . 1 1 59 59 VAL CA C 59 62.400 62.400 61.090 1.310 18989 3934 1 6 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.221 1.579 18989 3935 1 6 . 1 1 60 60 THR N N 60 118.000 118.000 123.342 -5.342 18989 3936 1 6 . 1 1 60 60 THR HA H 60 5.000 5.000 4.867 0.133 18989 3937 1 6 . 1 1 60 60 THR CA C 60 58.900 58.900 58.964 -0.064 18989 3938 1 6 . 1 1 60 60 THR CB C 60 70.200 70.200 70.398 -0.199 18989 3939 1 6 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.287 -0.007 18989 3940 1 6 . 1 1 61 61 PRO C C 61 177.700 177.700 177.039 0.661 18989 3941 1 6 . 1 1 61 61 PRO CA C 61 65.500 65.500 65.246 0.254 18989 3942 1 6 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.706 0.094 18989 3943 1 6 . 1 1 62 62 GLU N N 62 111.700 111.700 116.265 -4.565 18989 3944 1 6 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.247 0.033 18989 3945 1 6 . 1 1 62 62 GLU C C 62 176.500 176.500 175.981 0.519 18989 3946 1 6 . 1 1 62 62 GLU CA C 62 57.600 57.600 56.350 1.250 18989 3947 1 6 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.088 0.912 18989 3948 1 6 . 1 1 63 63 ARG N N 63 118.000 118.000 120.008 -2.008 18989 3949 1 6 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.704 -0.014 18989 3950 1 6 . 1 1 63 63 ARG C C 63 174.000 174.000 174.559 -0.559 18989 3951 1 6 . 1 1 63 63 ARG CA C 63 56.700 56.700 54.947 1.753 18989 3952 1 6 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.359 0.341 18989 3953 1 6 . 1 1 64 64 THR N N 64 120.700 120.700 114.459 6.241 18989 3954 1 6 . 1 1 64 64 THR HA H 64 5.780 5.780 5.535 0.245 18989 3955 1 6 . 1 1 64 64 THR C C 64 174.000 174.000 173.553 0.447 18989 3956 1 6 . 1 1 64 64 THR CA C 64 61.600 61.600 61.154 0.446 18989 3957 1 6 . 1 1 64 64 THR CB C 64 71.700 71.700 69.831 1.869 18989 3958 1 6 . 1 1 65 65 TRP N N 65 128.000 128.000 127.283 0.717 18989 3959 1 6 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.836 0.334 18989 3960 1 6 . 1 1 65 65 TRP C C 65 172.800 172.800 173.849 -1.049 18989 3961 1 6 . 1 1 65 65 TRP CA C 65 57.300 57.300 57.135 0.165 18989 3962 1 6 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.102 -0.202 18989 3963 1 6 . 1 1 66 66 GLU N N 66 120.800 120.800 124.392 -3.592 18989 3964 1 6 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.258 1.332 18989 3965 1 6 . 1 1 66 66 GLU C C 66 177.300 177.300 175.596 1.704 18989 3966 1 6 . 1 1 66 66 GLU CA C 66 54.200 54.200 56.029 -1.829 18989 3967 1 6 . 1 1 66 66 GLU CB C 66 32.700 32.700 29.962 2.737 18989 3968 1 6 . 1 1 67 67 THR N N 67 113.700 113.700 115.730 -2.030 18989 3969 1 6 . 1 1 67 67 THR HA H 67 4.750 4.750 4.689 0.061 18989 3970 1 6 . 1 1 67 67 THR C C 67 173.300 173.300 174.425 -1.125 18989 3971 1 6 . 1 1 67 67 THR CA C 67 59.500 59.500 61.453 -1.953 18989 3972 1 6 . 1 1 67 67 THR CB C 67 71.500 71.500 69.695 1.805 18989 3973 1 6 . 1 1 68 68 ARG N N 68 125.300 125.300 128.300 -3.000 18989 3974 1 6 . 1 1 68 68 ARG HA H 68 4.860 4.860 5.303 -0.443 18989 3975 1 6 . 1 1 68 68 ARG C C 68 175.700 175.700 175.639 0.061 18989 3976 1 6 . 1 1 68 68 ARG CA C 68 55.000 55.000 54.920 0.080 18989 3977 1 6 . 1 1 68 68 ARG CB C 68 31.700 31.700 31.529 0.171 18989 3978 1 6 . 1 1 69 69 SER N N 69 122.000 122.000 119.900 2.100 18989 3979 1 6 . 1 1 69 69 SER HA H 69 5.570 5.570 5.323 0.247 18989 3980 1 6 . 1 1 69 69 SER C C 69 172.200 172.200 173.461 -1.261 18989 3981 1 6 . 1 1 69 69 SER CA C 69 58.000 58.000 57.783 0.217 18989 3982 1 6 . 1 1 69 69 SER CB C 69 66.700 66.700 66.215 0.485 18989 3983 1 6 . 1 1 70 70 GLU N N 70 121.900 121.900 121.203 0.697 18989 3984 1 6 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.735 0.465 18989 3985 1 6 . 1 1 70 70 GLU C C 70 176.000 176.000 174.711 1.289 18989 3986 1 6 . 1 1 70 70 GLU CA C 70 53.600 53.600 55.039 -1.439 18989 3987 1 6 . 1 1 70 70 GLU CB C 70 34.700 34.700 34.176 0.524 18989 3988 1 6 . 1 1 71 71 VAL N N 71 126.600 126.600 126.401 0.199 18989 3989 1 6 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.010 0.240 18989 3990 1 6 . 1 1 71 71 VAL C C 71 177.600 177.600 176.767 0.833 18989 3991 1 6 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.753 1.047 18989 3992 1 6 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.535 0.665 18989 3993 1 6 . 1 1 72 72 ILE N N 72 123.200 123.200 125.306 -2.106 18989 3994 1 6 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.289 0.441 18989 3995 1 6 . 1 1 72 72 ILE C C 72 175.200 175.200 175.987 -0.787 18989 3996 1 6 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.090 -0.090 18989 3997 1 6 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.881 0.719 18989 3998 1 6 . 1 1 73 73 VAL N N 73 121.700 121.700 119.110 2.590 18989 3999 1 6 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.360 -0.160 18989 4000 1 6 . 1 1 73 73 VAL C C 73 172.000 172.000 173.445 -1.445 18989 4001 1 6 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.155 0.945 18989 4002 1 6 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.175 -0.475 18989 4003 1 6 . 1 1 74 74 ALA N N 74 131.100 131.100 129.916 1.184 18989 4004 1 6 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.151 0.169 18989 4005 1 6 . 1 1 74 74 ALA C C 74 174.900 174.900 175.806 -0.906 18989 4006 1 6 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.671 1.029 18989 4007 1 6 . 1 1 74 74 ALA CB C 74 18.300 18.300 21.015 -2.715 18989 4008 1 6 . 1 1 75 75 GLU N N 75 126.100 126.100 125.007 1.093 18989 4009 1 6 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.892 0.078 18989 4010 1 6 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.867 -0.767 18989 4011 1 6 . 1 1 75 75 GLU CB C 75 31.300 31.300 30.720 0.580 18989 4012 1 6 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.242 -1.622 18989 4013 1 6 . 1 1 76 76 PRO CA C 76 63.900 63.900 64.688 -0.788 18989 4014 1 6 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.863 0.037 18989 4015 1 6 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.326 -0.566 18989 4016 1 6 . 1 1 77 77 ASN C C 77 172.700 172.700 174.001 -1.301 18989 4017 1 6 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.111 1.989 18989 4018 1 6 . 1 1 77 77 ASN CB C 77 36.900 36.900 38.684 -1.784 18989 4019 1 6 . 1 1 78 78 ARG N N 78 115.300 115.300 121.372 -6.072 18989 4020 1 6 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.579 0.321 18989 4021 1 6 . 1 1 78 78 ARG C C 78 176.000 176.000 173.962 2.038 18989 4022 1 6 . 1 1 78 78 ARG CA C 78 58.300 58.300 56.632 1.668 18989 4023 1 6 . 1 1 78 78 ARG CB C 78 34.000 34.000 32.545 1.455 18989 4024 1 6 . 1 1 79 79 CYS N N 79 117.700 117.700 115.065 2.635 18989 4025 1 6 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.676 -0.006 18989 4026 1 6 . 1 1 79 79 CYS C C 79 172.200 172.200 172.712 -0.512 18989 4027 1 6 . 1 1 79 79 CYS CA C 79 58.200 58.200 57.263 0.937 18989 4028 1 6 . 1 1 79 79 CYS CB C 79 29.500 29.500 31.244 -1.744 18989 4029 1 6 . 1 1 80 80 PHE N N 80 129.500 129.500 121.831 7.669 18989 4030 1 6 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.193 0.327 18989 4031 1 6 . 1 1 80 80 PHE C C 80 173.400 173.400 173.746 -0.346 18989 4032 1 6 . 1 1 80 80 PHE CA C 80 57.900 57.900 57.546 0.354 18989 4033 1 6 . 1 1 80 80 PHE CB C 80 43.800 43.800 43.045 0.755 18989 4034 1 6 . 1 1 81 81 GLY N N 81 114.500 114.500 114.946 -0.446 18989 4035 1 6 . 1 1 81 81 GLY C C 81 171.900 171.900 171.903 -0.003 18989 4036 1 6 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.763 1.837 18989 4037 1 6 . 1 1 82 82 TRP N N 82 121.700 121.700 123.407 -1.707 18989 4038 1 6 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.472 0.318 18989 4039 1 6 . 1 1 82 82 TRP C C 82 171.500 171.500 173.830 -2.330 18989 4040 1 6 . 1 1 82 82 TRP CA C 82 57.400 57.400 53.497 3.903 18989 4041 1 6 . 1 1 82 82 TRP CB C 82 33.900 33.900 31.980 1.920 18989 4042 1 6 . 1 1 83 83 SER N N 83 113.600 113.600 118.473 -4.873 18989 4043 1 6 . 1 1 83 83 SER HA H 83 5.680 5.680 4.877 0.803 18989 4044 1 6 . 1 1 83 83 SER C C 83 174.500 174.500 174.395 0.105 18989 4045 1 6 . 1 1 83 83 SER CA C 83 54.800 54.800 56.540 -1.740 18989 4046 1 6 . 1 1 83 83 SER CB C 83 66.700 66.700 63.739 2.961 18989 4047 1 6 . 1 1 84 84 VAL N N 84 125.400 125.400 126.197 -0.797 18989 4048 1 6 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.117 0.733 18989 4049 1 6 . 1 1 84 84 VAL C C 84 176.500 176.500 176.228 0.272 18989 4050 1 6 . 1 1 84 84 VAL CA C 84 61.400 61.400 62.630 -1.230 18989 4051 1 6 . 1 1 84 84 VAL CB C 84 34.600 34.600 32.501 2.099 18989 4052 1 6 . 1 1 85 85 THR N N 85 120.300 120.300 120.045 0.255 18989 4053 1 6 . 1 1 85 85 THR HA H 85 3.720 3.720 3.991 -0.271 18989 4054 1 6 . 1 1 85 85 THR C C 85 173.500 173.500 174.219 -0.719 18989 4055 1 6 . 1 1 85 85 THR CA C 85 62.900 62.900 64.080 -1.180 18989 4056 1 6 . 1 1 85 85 THR CB C 85 66.600 66.600 66.897 -0.297 18989 4057 1 6 . 1 1 86 86 ASP N N 86 119.000 119.000 122.206 -3.206 18989 4058 1 6 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.117 0.103 18989 4059 1 6 . 1 1 86 86 ASP C C 86 177.100 177.100 175.741 1.359 18989 4060 1 6 . 1 1 86 86 ASP CA C 86 54.700 54.700 57.649 -2.949 18989 4061 1 6 . 1 1 86 86 ASP CB C 86 39.700 39.700 40.556 -0.856 18989 4062 1 6 . 1 1 87 87 GLY N N 87 103.400 103.400 104.066 -0.666 18989 4063 1 6 . 1 1 87 87 GLY C C 87 175.000 175.000 173.746 1.254 18989 4064 1 6 . 1 1 87 87 GLY CA C 87 45.600 45.600 45.001 0.599 18989 4065 1 6 . 1 1 88 88 ASN N N 88 122.300 122.300 119.077 3.223 18989 4066 1 6 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.481 -0.371 18989 4067 1 6 . 1 1 88 88 ASN C C 88 174.500 174.500 174.516 -0.016 18989 4068 1 6 . 1 1 88 88 ASN CA C 88 55.600 55.600 55.125 0.475 18989 4069 1 6 . 1 1 88 88 ASN CB C 88 38.200 38.200 39.238 -1.038 18989 4070 1 6 . 1 1 89 89 VAL N N 89 115.700 115.700 117.992 -2.292 18989 4071 1 6 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.223 0.607 18989 4072 1 6 . 1 1 89 89 VAL C C 89 174.700 174.700 175.385 -0.685 18989 4073 1 6 . 1 1 89 89 VAL CA C 89 59.600 59.600 60.829 -1.229 18989 4074 1 6 . 1 1 89 89 VAL CB C 89 37.000 37.000 32.553 4.447 18989 4075 1 6 . 1 1 90 90 LYS N N 90 123.600 123.600 122.428 1.172 18989 4076 1 6 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.595 0.415 18989 4077 1 6 . 1 1 90 90 LYS C C 90 174.100 174.100 174.609 -0.509 18989 4078 1 6 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.163 -0.263 18989 4079 1 6 . 1 1 90 90 LYS CB C 90 36.300 36.300 35.911 0.389 18989 4080 1 6 . 1 1 91 91 TRP N N 91 124.600 124.600 123.813 0.787 18989 4081 1 6 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.899 0.201 18989 4082 1 6 . 1 1 91 91 TRP C C 91 174.600 174.600 174.759 -0.159 18989 4083 1 6 . 1 1 91 91 TRP CA C 91 54.900 54.900 56.116 -1.216 18989 4084 1 6 . 1 1 91 91 TRP CB C 91 30.800 30.800 31.041 -0.242 18989 4085 1 6 . 1 1 92 92 ILE N N 92 118.000 118.000 123.139 -5.139 18989 4086 1 6 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.384 0.176 18989 4087 1 6 . 1 1 92 92 ILE C C 92 176.300 176.300 174.440 1.860 18989 4088 1 6 . 1 1 92 92 ILE CA C 92 60.800 60.800 60.415 0.385 18989 4089 1 6 . 1 1 92 92 ILE CB C 92 42.100 42.100 39.665 2.435 18989 4090 1 6 . 1 1 93 93 TYR N N 93 127.700 127.700 127.203 0.497 18989 4091 1 6 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.438 0.412 18989 4092 1 6 . 1 1 93 93 TYR C C 93 175.300 175.300 175.389 -0.089 18989 4093 1 6 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.096 1.004 18989 4094 1 6 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.964 1.837 18989 4095 1 6 . 1 1 94 94 SER N N 94 117.900 117.900 118.859 -0.959 18989 4096 1 6 . 1 1 94 94 SER HA H 94 5.510 5.510 4.912 0.598 18989 4097 1 6 . 1 1 94 94 SER C C 94 172.700 172.700 173.664 -0.964 18989 4098 1 6 . 1 1 94 94 SER CA C 94 57.300 57.300 57.429 -0.129 18989 4099 1 6 . 1 1 94 94 SER CB C 94 65.600 65.600 64.262 1.338 18989 4100 1 6 . 1 1 95 95 MET N N 95 119.600 119.600 126.821 -7.221 18989 4101 1 6 . 1 1 95 95 MET HA H 95 5.840 5.840 5.134 0.706 18989 4102 1 6 . 1 1 95 95 MET C C 95 173.800 173.800 175.107 -1.307 18989 4103 1 6 . 1 1 95 95 MET CA C 95 54.200 54.200 54.292 -0.092 18989 4104 1 6 . 1 1 95 95 MET CB C 95 37.400 37.400 34.392 3.008 18989 4105 1 6 . 1 1 96 96 GLU N N 96 119.100 119.100 123.687 -4.587 18989 4106 1 6 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.869 0.101 18989 4107 1 6 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.451 -0.551 18989 4108 1 6 . 1 1 96 96 GLU CB C 96 33.000 33.000 30.547 2.453 18989 4109 1 6 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.405 0.415 18989 4110 1 6 . 1 1 97 97 PRO C C 97 176.300 176.300 176.431 -0.131 18989 4111 1 6 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.902 0.198 18989 4112 1 6 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.525 1.175 18989 4113 1 6 . 1 1 98 98 LEU N N 98 122.900 122.900 125.541 -2.641 18989 4114 1 6 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.424 0.106 18989 4115 1 6 . 1 1 98 98 LEU C C 98 176.200 176.200 177.226 -1.026 18989 4116 1 6 . 1 1 98 98 LEU CA C 98 54.200 54.200 53.843 0.357 18989 4117 1 6 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.798 1.302 18989 4118 1 6 . 1 1 99 99 GLU N N 99 124.700 124.700 118.861 5.839 18989 4119 1 6 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.209 -0.349 18989 4120 1 6 . 1 1 99 99 GLU C C 99 176.900 176.900 177.402 -0.502 18989 4121 1 6 . 1 1 99 99 GLU CA C 99 59.500 59.500 57.678 1.822 18989 4122 1 6 . 1 1 99 99 GLU CB C 99 28.000 28.000 30.081 -2.081 18989 4123 1 6 . 1 1 100 100 GLU N N 100 118.200 118.200 118.769 -0.569 18989 4124 1 6 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.250 0.180 18989 4125 1 6 . 1 1 100 100 GLU C C 100 176.200 176.200 176.905 -0.705 18989 4126 1 6 . 1 1 100 100 GLU CA C 100 56.400 56.400 57.345 -0.945 18989 4127 1 6 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.218 -0.318 18989 4128 1 6 . 1 1 101 101 GLY N N 101 110.100 110.100 106.332 3.768 18989 4129 1 6 . 1 1 101 101 GLY C C 101 174.100 174.100 172.817 1.283 18989 4130 1 6 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.107 -0.107 18989 4131 1 6 . 1 1 102 102 THR N N 102 120.200 120.200 116.594 3.606 18989 4132 1 6 . 1 1 102 102 THR HA H 102 4.850 4.850 4.937 -0.087 18989 4133 1 6 . 1 1 102 102 THR C C 102 172.700 172.700 173.557 -0.857 18989 4134 1 6 . 1 1 102 102 THR CA C 102 63.700 63.700 62.360 1.340 18989 4135 1 6 . 1 1 102 102 THR CB C 102 73.600 73.600 72.534 1.066 18989 4136 1 6 . 1 1 103 103 VAL N N 103 125.600 125.600 127.174 -1.574 18989 4137 1 6 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.421 0.489 18989 4138 1 6 . 1 1 103 103 VAL C C 103 175.000 175.000 175.181 -0.181 18989 4139 1 6 . 1 1 103 103 VAL CA C 103 61.300 61.300 62.391 -1.091 18989 4140 1 6 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.767 0.933 18989 4141 1 6 . 1 1 104 104 LEU N N 104 133.900 133.900 130.947 2.953 18989 4142 1 6 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.897 0.243 18989 4143 1 6 . 1 1 104 104 LEU C C 104 173.800 173.800 175.601 -1.801 18989 4144 1 6 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.461 -1.161 18989 4145 1 6 . 1 1 104 104 LEU CB C 104 46.100 46.100 43.233 2.867 18989 4146 1 6 . 1 1 105 105 THR N N 105 124.400 124.400 124.471 -0.071 18989 4147 1 6 . 1 1 105 105 THR HA H 105 5.210 5.210 4.910 0.300 18989 4148 1 6 . 1 1 105 105 THR C C 105 173.500 173.500 172.926 0.574 18989 4149 1 6 . 1 1 105 105 THR CA C 105 61.500 61.500 61.693 -0.193 18989 4150 1 6 . 1 1 105 105 THR CB C 105 71.100 71.100 70.296 0.804 18989 4151 1 6 . 1 1 106 106 GLU N N 106 126.900 126.900 128.114 -1.214 18989 4152 1 6 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.842 0.518 18989 4153 1 6 . 1 1 106 106 GLU C C 106 173.400 173.400 175.227 -1.827 18989 4154 1 6 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.785 -0.385 18989 4155 1 6 . 1 1 106 106 GLU CB C 106 32.000 32.000 32.171 -0.171 18989 4156 1 6 . 1 1 107 107 SER N N 107 120.800 120.800 122.126 -1.326 18989 4157 1 6 . 1 1 107 107 SER HA H 107 5.470 5.470 4.729 0.741 18989 4158 1 6 . 1 1 107 107 SER C C 107 171.600 171.600 172.920 -1.320 18989 4159 1 6 . 1 1 107 107 SER CA C 107 56.000 56.000 57.668 -1.668 18989 4160 1 6 . 1 1 107 107 SER CB C 107 66.700 66.700 64.188 2.512 18989 4161 1 6 . 1 1 108 108 TRP N N 108 124.600 124.600 128.805 -4.205 18989 4162 1 6 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.955 -0.275 18989 4163 1 6 . 1 1 108 108 TRP C C 108 175.000 175.000 174.470 0.530 18989 4164 1 6 . 1 1 108 108 TRP CA C 108 55.900 55.900 55.587 0.313 18989 4165 1 6 . 1 1 108 108 TRP CB C 108 33.600 33.600 31.814 1.786 18989 4166 1 6 . 1 1 109 109 GLU N N 109 127.200 127.200 126.526 0.674 18989 4167 1 6 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.076 0.424 18989 4168 1 6 . 1 1 109 109 GLU C C 109 172.300 172.300 173.790 -1.490 18989 4169 1 6 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.794 -0.694 18989 4170 1 6 . 1 1 109 109 GLU CB C 109 32.900 32.900 33.410 -0.509 18989 4171 1 6 . 1 1 110 110 PHE N N 110 129.400 129.400 126.608 2.792 18989 4172 1 6 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.726 -0.036 18989 4173 1 6 . 1 1 110 110 PHE C C 110 177.100 177.100 175.123 1.977 18989 4174 1 6 . 1 1 110 110 PHE CA C 110 54.000 54.000 55.891 -1.891 18989 4175 1 6 . 1 1 110 110 PHE CB C 110 38.500 38.500 40.267 -1.767 18989 4176 1 6 . 1 1 111 111 THR N N 111 117.800 117.800 123.294 -5.494 18989 4177 1 6 . 1 1 111 111 THR HA H 111 4.510 4.510 4.448 0.062 18989 4178 1 6 . 1 1 111 111 THR CA C 111 61.800 61.800 61.401 0.399 18989 4179 1 6 . 1 1 111 111 THR CB C 111 66.100 66.100 69.766 -3.666 18989 4180 1 6 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.400 -0.410 18989 4181 1 6 . 1 1 113 113 LYS C C 113 179.200 179.200 177.302 1.898 18989 4182 1 6 . 1 1 114 114 GLY N N 114 110.100 110.100 108.849 1.251 18989 4183 1 6 . 1 1 114 114 GLY CA C 114 47.100 47.100 47.597 -0.497 18989 4184 1 6 . 1 1 115 115 GLN N N 115 121.100 121.100 120.007 1.093 18989 4185 1 6 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.200 -0.190 18989 4186 1 6 . 1 1 115 115 GLN C C 115 178.000 178.000 178.356 -0.356 18989 4187 1 6 . 1 1 115 115 GLN CA C 115 59.900 59.900 59.673 0.227 18989 4188 1 6 . 1 1 115 115 GLN CB C 115 29.400 29.400 27.937 1.463 18989 4189 1 6 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.164 -0.024 18989 4190 1 6 . 1 1 116 116 ARG C C 116 177.900 177.900 177.971 -0.071 18989 4191 1 6 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.033 0.467 18989 4192 1 6 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.944 0.056 18989 4193 1 6 . 1 1 117 117 PHE N N 117 120.800 120.800 121.005 -0.205 18989 4194 1 6 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.150 0.320 18989 4195 1 6 . 1 1 117 117 PHE C C 117 178.100 178.100 177.530 0.570 18989 4196 1 6 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.887 -0.687 18989 4197 1 6 . 1 1 117 117 PHE CB C 117 39.000 39.000 39.018 -0.018 18989 4198 1 6 . 1 1 118 118 PHE N N 118 119.600 119.600 117.123 2.477 18989 4199 1 6 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.207 0.023 18989 4200 1 6 . 1 1 118 118 PHE C C 118 178.500 178.500 177.915 0.585 18989 4201 1 6 . 1 1 118 118 PHE CA C 118 62.300 62.300 61.863 0.437 18989 4202 1 6 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.176 1.024 18989 4203 1 6 . 1 1 119 119 HIS N N 119 120.900 120.900 119.225 1.675 18989 4204 1 6 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.272 0.348 18989 4205 1 6 . 1 1 119 119 HIS C C 119 178.500 178.500 176.625 1.875 18989 4206 1 6 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.343 0.557 18989 4207 1 6 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.125 -0.425 18989 4208 1 6 . 1 1 120 120 ASP N N 120 120.400 120.400 117.586 2.814 18989 4209 1 6 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.383 -0.053 18989 4210 1 6 . 1 1 120 120 ASP C C 120 177.500 177.500 177.677 -0.177 18989 4211 1 6 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.151 1.049 18989 4212 1 6 . 1 1 120 120 ASP CB C 120 40.500 40.500 40.989 -0.488 18989 4213 1 6 . 1 1 121 121 LYS N N 121 118.100 118.100 118.012 0.088 18989 4214 1 6 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.933 -0.123 18989 4215 1 6 . 1 1 121 121 LYS C C 121 178.200 178.200 177.004 1.196 18989 4216 1 6 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.894 0.206 18989 4217 1 6 . 1 1 121 121 LYS CB C 121 33.200 33.200 33.402 -0.202 18989 4218 1 6 . 1 1 122 122 PHE N N 122 112.800 112.800 118.265 -5.465 18989 4219 1 6 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.630 0.050 18989 4220 1 6 . 1 1 122 122 PHE C C 122 177.600 177.600 176.013 1.587 18989 4221 1 6 . 1 1 122 122 PHE CA C 122 58.100 58.100 57.279 0.821 18989 4222 1 6 . 1 1 122 122 PHE CB C 122 40.000 40.000 40.533 -0.533 18989 4223 1 6 . 1 1 123 123 GLY N N 123 112.200 112.200 111.875 0.325 18989 4224 1 6 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.648 0.652 18989 4225 1 6 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.433 0.147 18989 4226 1 6 . 1 1 124 124 ASP C C 124 177.700 177.700 178.113 -0.413 18989 4227 1 6 . 1 1 124 124 ASP CA C 124 56.800 56.800 57.343 -0.543 18989 4228 1 6 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.175 -0.075 18989 4229 1 6 . 1 1 125 125 LYS N N 125 118.400 118.400 120.073 -1.673 18989 4230 1 6 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.320 0.350 18989 4231 1 6 . 1 1 125 125 LYS C C 125 177.100 177.100 178.613 -1.513 18989 4232 1 6 . 1 1 125 125 LYS CA C 125 56.000 56.000 57.962 -1.962 18989 4233 1 6 . 1 1 125 125 LYS CB C 125 32.300 32.300 31.906 0.394 18989 4234 1 6 . 1 1 126 126 SER N N 126 116.600 116.600 115.830 0.770 18989 4235 1 6 . 1 1 126 126 SER HA H 126 3.830 3.830 4.264 -0.434 18989 4236 1 6 . 1 1 126 126 SER C C 126 175.700 175.700 176.323 -0.623 18989 4237 1 6 . 1 1 126 126 SER CA C 126 62.700 62.700 61.449 1.251 18989 4238 1 6 . 1 1 126 126 SER CB C 126 63.000 63.000 62.565 0.435 18989 4239 1 6 . 1 1 127 127 ILE N N 127 122.300 122.300 121.126 1.174 18989 4240 1 6 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.647 0.163 18989 4241 1 6 . 1 1 127 127 ILE C C 127 178.500 178.500 177.814 0.686 18989 4242 1 6 . 1 1 127 127 ILE CA C 127 65.000 65.000 65.031 -0.031 18989 4243 1 6 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.710 -0.910 18989 4244 1 6 . 1 1 128 128 GLU N N 128 120.500 120.500 120.195 0.305 18989 4245 1 6 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.873 0.227 18989 4246 1 6 . 1 1 128 128 GLU C C 128 179.400 179.400 178.884 0.516 18989 4247 1 6 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.762 -0.462 18989 4248 1 6 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.403 0.297 18989 4249 1 6 . 1 1 129 129 GLU N N 129 118.800 118.800 118.514 0.286 18989 4250 1 6 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.868 0.042 18989 4251 1 6 . 1 1 129 129 GLU C C 129 179.900 179.900 179.306 0.594 18989 4252 1 6 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.863 0.137 18989 4253 1 6 . 1 1 129 129 GLU CB C 129 29.200 29.200 28.675 0.525 18989 4254 1 6 . 1 1 130 130 ILE N N 130 122.700 122.700 114.948 7.752 18989 4255 1 6 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.672 -0.192 18989 4256 1 6 . 1 1 130 130 ILE C C 130 177.600 177.600 177.785 -0.185 18989 4257 1 6 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.861 1.539 18989 4258 1 6 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.601 0.699 18989 4259 1 6 . 1 1 131 131 GLU N N 131 120.100 120.100 121.434 -1.334 18989 4260 1 6 . 1 1 131 131 GLU HA H 131 4.390 4.390 4.004 0.386 18989 4261 1 6 . 1 1 131 131 GLU C C 131 178.800 178.800 178.706 0.094 18989 4262 1 6 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.449 -0.849 18989 4263 1 6 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.547 -0.647 18989 4264 1 6 . 1 1 132 132 LYS N N 132 118.300 118.300 119.227 -0.927 18989 4265 1 6 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.896 0.064 18989 4266 1 6 . 1 1 132 132 LYS C C 132 180.400 180.400 179.502 0.898 18989 4267 1 6 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.793 0.507 18989 4268 1 6 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.315 0.385 18989 4269 1 6 . 1 1 133 133 ARG N N 133 118.400 118.400 117.288 1.112 18989 4270 1 6 . 1 1 133 133 ARG HA H 133 4.060 4.060 4.105 -0.045 18989 4271 1 6 . 1 1 133 133 ARG C C 133 178.600 178.600 178.652 -0.052 18989 4272 1 6 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.779 -0.779 18989 4273 1 6 . 1 1 133 133 ARG CB C 133 29.400 29.400 30.134 -0.734 18989 4274 1 6 . 1 1 134 134 ARG N N 134 122.500 122.500 121.436 1.064 18989 4275 1 6 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.029 -0.419 18989 4276 1 6 . 1 1 134 134 ARG C C 134 177.600 177.600 178.329 -0.729 18989 4277 1 6 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.270 0.130 18989 4278 1 6 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.045 0.955 18989 4279 1 6 . 1 1 135 135 LEU N N 135 118.200 118.200 118.860 -0.660 18989 4280 1 6 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.922 -0.112 18989 4281 1 6 . 1 1 135 135 LEU C C 135 179.700 179.700 178.737 0.963 18989 4282 1 6 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.667 0.033 18989 4283 1 6 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.560 -0.160 18989 4284 1 6 . 1 1 136 136 ALA N N 136 120.400 120.400 120.701 -0.301 18989 4285 1 6 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.929 0.101 18989 4286 1 6 . 1 1 136 136 ALA C C 136 180.500 180.500 179.317 1.183 18989 4287 1 6 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.818 -0.118 18989 4288 1 6 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.878 0.222 18989 4289 1 6 . 1 1 137 137 ALA N N 137 123.200 123.200 120.925 2.275 18989 4290 1 6 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.678 0.222 18989 4291 1 6 . 1 1 137 137 ALA C C 137 178.700 178.700 178.965 -0.265 18989 4292 1 6 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.318 0.982 18989 4293 1 6 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.871 -2.071 18989 4294 1 6 . 1 1 138 138 ILE N N 138 115.400 115.400 117.223 -1.823 18989 4295 1 6 . 1 1 138 138 ILE HA H 138 2.830 2.830 2.143 0.687 18989 4296 1 6 . 1 1 138 138 ILE C C 138 177.800 177.800 177.396 0.404 18989 4297 1 6 . 1 1 138 138 ILE CA C 138 64.200 64.200 63.846 0.354 18989 4298 1 6 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.639 -0.239 18989 4299 1 6 . 1 1 139 139 THR N N 139 109.500 109.500 114.759 -5.259 18989 4300 1 6 . 1 1 139 139 THR HA H 139 4.150 4.150 4.292 -0.142 18989 4301 1 6 . 1 1 139 139 THR C C 139 177.300 177.300 176.518 0.782 18989 4302 1 6 . 1 1 139 139 THR CA C 139 64.000 64.000 66.216 -2.216 18989 4303 1 6 . 1 1 139 139 THR CB C 139 69.600 69.600 68.828 0.772 18989 4304 1 6 . 1 1 140 140 GLY N N 140 110.800 110.800 110.189 0.611 18989 4305 1 6 . 1 1 140 140 GLY C C 140 176.700 176.700 175.868 0.832 18989 4306 1 6 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.542 0.258 18989 4307 1 6 . 1 1 141 141 ILE N N 141 122.700 122.700 122.344 0.356 18989 4308 1 6 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.054 0.106 18989 4309 1 6 . 1 1 141 141 ILE CA C 141 68.300 68.300 66.909 1.391 18989 4310 1 6 . 1 1 141 141 ILE CB C 141 36.300 36.300 35.926 0.374 18989 4311 1 6 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.584 -0.234 18989 4312 1 6 . 1 1 142 142 PRO C C 142 179.300 179.300 179.083 0.217 18989 4313 1 6 . 1 1 142 142 PRO CA C 142 66.700 66.700 66.340 0.360 18989 4314 1 6 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.103 0.097 18989 4315 1 6 . 1 1 143 143 GLU N N 143 113.900 113.900 118.539 -4.639 18989 4316 1 6 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.141 0.029 18989 4317 1 6 . 1 1 143 143 GLU C C 143 179.600 179.600 178.852 0.748 18989 4318 1 6 . 1 1 143 143 GLU CA C 143 59.300 59.300 58.890 0.410 18989 4319 1 6 . 1 1 143 143 GLU CB C 143 30.000 30.000 28.860 1.140 18989 4320 1 6 . 1 1 144 144 THR N N 144 119.900 119.900 117.923 1.977 18989 4321 1 6 . 1 1 144 144 THR HA H 144 4.290 4.290 4.042 0.248 18989 4322 1 6 . 1 1 144 144 THR C C 144 175.800 175.800 176.920 -1.120 18989 4323 1 6 . 1 1 144 144 THR CA C 144 67.000 67.000 66.679 0.321 18989 4324 1 6 . 1 1 144 144 THR CB C 144 69.500 69.500 68.772 0.728 18989 4325 1 6 . 1 1 145 145 LEU N N 145 120.300 120.300 121.726 -1.426 18989 4326 1 6 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.112 -0.202 18989 4327 1 6 . 1 1 145 145 LEU C C 145 178.700 178.700 178.740 -0.040 18989 4328 1 6 . 1 1 145 145 LEU CA C 145 58.600 58.600 57.826 0.774 18989 4329 1 6 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.617 -0.117 18989 4330 1 6 . 1 1 146 146 VAL N N 146 117.600 117.600 118.201 -0.601 18989 4331 1 6 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.606 0.074 18989 4332 1 6 . 1 1 146 146 VAL C C 146 177.700 177.700 177.969 -0.269 18989 4333 1 6 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.525 -0.425 18989 4334 1 6 . 1 1 146 146 VAL CB C 146 32.000 32.000 31.241 0.759 18989 4335 1 6 . 1 1 147 147 ALA N N 147 123.600 123.600 123.340 0.260 18989 4336 1 6 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.078 0.152 18989 4337 1 6 . 1 1 147 147 ALA C C 147 180.400 180.400 179.563 0.837 18989 4338 1 6 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.218 0.382 18989 4339 1 6 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.308 0.492 18989 4340 1 6 . 1 1 148 148 ILE N N 148 119.600 119.600 119.776 -0.176 18989 4341 1 6 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.571 -0.261 18989 4342 1 6 . 1 1 148 148 ILE C C 148 177.100 177.100 177.937 -0.837 18989 4343 1 6 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.391 0.909 18989 4344 1 6 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.671 0.529 18989 4345 1 6 . 1 1 149 149 GLN N N 149 119.200 119.200 118.910 0.290 18989 4346 1 6 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.877 -0.207 18989 4347 1 6 . 1 1 149 149 GLN C C 149 178.000 178.000 178.096 -0.096 18989 4348 1 6 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.304 0.796 18989 4349 1 6 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.546 1.054 18989 4350 1 6 . 1 1 150 150 ARG N N 150 120.500 120.500 119.429 1.071 18989 4351 1 6 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.062 -0.012 18989 4352 1 6 . 1 1 150 150 ARG C C 150 179.000 179.000 178.814 0.186 18989 4353 1 6 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.267 0.033 18989 4354 1 6 . 1 1 150 150 ARG CB C 150 30.000 30.000 30.041 -0.041 18989 4355 1 6 . 1 1 151 151 ILE N N 151 119.100 119.100 120.182 -1.082 18989 4356 1 6 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.802 -0.152 18989 4357 1 6 . 1 1 151 151 ILE C C 151 178.500 178.500 177.302 1.198 18989 4358 1 6 . 1 1 151 151 ILE CA C 151 65.300 65.300 63.058 2.242 18989 4359 1 6 . 1 1 151 151 ILE CB C 151 39.000 39.000 37.973 1.027 18989 4360 1 6 . 1 1 152 152 LEU N N 152 117.100 117.100 120.514 -3.414 18989 4361 1 6 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.722 0.358 18989 4362 1 6 . 1 1 152 152 LEU C C 152 178.700 178.700 178.900 -0.200 18989 4363 1 6 . 1 1 152 152 LEU CA C 152 57.000 57.000 58.483 -1.483 18989 4364 1 6 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.393 1.507 18989 4365 1 6 . 1 1 153 153 GLU N N 153 117.800 117.800 118.721 -0.921 18989 4366 1 6 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.913 0.257 18989 4367 1 6 . 1 1 153 153 GLU C C 153 178.300 178.300 179.411 -1.111 18989 4368 1 6 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.451 -0.751 18989 4369 1 6 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.551 -0.251 18989 4370 1 6 . 1 1 154 154 VAL N N 154 119.500 119.500 117.749 1.751 18989 4371 1 6 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.733 0.267 18989 4372 1 6 . 1 1 154 154 VAL C C 154 177.500 177.500 178.358 -0.858 18989 4373 1 6 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.211 -1.511 18989 4374 1 6 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.631 0.569 18989 4375 1 6 . 1 1 155 155 GLU N N 155 121.300 121.300 118.302 2.998 18989 4376 1 6 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.175 0.005 18989 4377 1 6 . 1 1 155 155 GLU C C 155 177.600 177.600 177.710 -0.110 18989 4378 1 6 . 1 1 155 155 GLU CA C 155 58.000 58.000 57.583 0.417 18989 4379 1 6 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.361 0.339 18989 4380 1 6 . 1 1 156 156 LEU N N 156 120.800 120.800 117.351 3.449 18989 4381 1 6 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.154 0.076 18989 4382 1 6 . 1 1 156 156 LEU C C 156 178.000 178.000 177.170 0.830 18989 4383 1 6 . 1 1 156 156 LEU CA C 156 56.200 56.200 56.123 0.077 18989 4384 1 6 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.435 -0.135 18989 4385 1 6 . 1 1 157 157 GLU N N 157 119.700 119.700 116.901 2.799 18989 4386 1 6 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.328 -0.198 18989 4387 1 6 . 1 1 157 157 GLU C C 157 177.000 177.000 175.473 1.527 18989 4388 1 6 . 1 1 157 157 GLU CA C 157 57.400 57.400 54.912 2.488 18989 4389 1 6 . 1 1 157 157 GLU CB C 157 29.800 29.800 31.010 -1.210 18989 4390 1 6 . 1 1 158 158 HIS N N 158 117.700 117.700 117.475 0.225 18989 4391 1 6 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.344 0.286 18989 4392 1 6 . 1 1 158 158 HIS C C 158 173.900 173.900 174.316 -0.416 18989 4393 1 6 . 1 1 158 158 HIS CA C 158 56.000 56.000 57.570 -1.570 18989 4394 1 6 . 1 1 158 158 HIS CB C 158 30.000 30.000 29.091 0.909 18989 4395 1 6 . 1 1 159 159 HIS N N 159 125.200 125.200 115.363 9.837 18989 4396 1 6 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.085 0.355 18989 4397 1 6 . 1 1 159 159 HIS CA C 159 57.300 57.300 57.492 -0.192 18989 4398 1 6 . 1 1 159 159 HIS CB C 159 28.800 28.800 28.094 0.706 18989 4399 1 7 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.457 -0.057 18989 4400 1 7 . 1 1 2 2 PRO CA C 2 62.400 62.400 63.946 -1.546 18989 4401 1 7 . 1 1 2 2 PRO CB C 2 32.800 32.800 32.417 0.383 18989 4402 1 7 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.473 0.007 18989 4403 1 7 . 1 1 3 3 LYS C C 3 176.600 176.600 175.188 1.412 18989 4404 1 7 . 1 1 3 3 LYS CA C 3 55.900 55.900 55.437 0.463 18989 4405 1 7 . 1 1 3 3 LYS CB C 3 34.200 34.200 33.515 0.685 18989 4406 1 7 . 1 1 4 4 SER N N 4 117.800 117.800 114.245 3.555 18989 4407 1 7 . 1 1 4 4 SER HA H 4 4.220 4.220 4.537 -0.317 18989 4408 1 7 . 1 1 4 4 SER C C 4 174.100 174.100 173.957 0.143 18989 4409 1 7 . 1 1 4 4 SER CA C 4 59.700 59.700 59.262 0.438 18989 4410 1 7 . 1 1 4 4 SER CB C 4 63.700 63.700 64.356 -0.656 18989 4411 1 7 . 1 1 5 5 LEU N N 5 124.700 124.700 125.703 -1.003 18989 4412 1 7 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.576 0.224 18989 4413 1 7 . 1 1 5 5 LEU C C 5 175.500 175.500 174.544 0.956 18989 4414 1 7 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.308 -0.308 18989 4415 1 7 . 1 1 5 5 LEU CB C 5 43.200 43.200 42.009 1.191 18989 4416 1 7 . 1 1 6 6 THR N N 6 111.200 111.200 113.719 -2.519 18989 4417 1 7 . 1 1 6 6 THR HA H 6 5.620 5.620 4.934 0.686 18989 4418 1 7 . 1 1 6 6 THR C C 6 174.500 174.500 173.229 1.271 18989 4419 1 7 . 1 1 6 6 THR CA C 6 59.700 59.700 60.648 -0.948 18989 4420 1 7 . 1 1 6 6 THR CB C 6 73.000 73.000 71.145 1.855 18989 4421 1 7 . 1 1 7 7 PHE N N 7 120.700 120.700 122.038 -1.338 18989 4422 1 7 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.933 -0.183 18989 4423 1 7 . 1 1 7 7 PHE C C 7 172.100 172.100 173.882 -1.782 18989 4424 1 7 . 1 1 7 7 PHE CA C 7 59.300 59.300 56.796 2.504 18989 4425 1 7 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.954 -0.454 18989 4426 1 7 . 1 1 8 8 GLU N N 8 122.100 122.100 118.438 3.662 18989 4427 1 7 . 1 1 8 8 GLU HA H 8 5.380 5.380 5.194 0.186 18989 4428 1 7 . 1 1 8 8 GLU C C 8 172.500 172.500 175.158 -2.658 18989 4429 1 7 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.738 -0.238 18989 4430 1 7 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.322 0.178 18989 4431 1 7 . 1 1 9 9 ASP N N 9 117.400 117.400 119.382 -1.982 18989 4432 1 7 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.932 -0.112 18989 4433 1 7 . 1 1 9 9 ASP C C 9 173.500 173.500 173.851 -0.351 18989 4434 1 7 . 1 1 9 9 ASP CA C 9 53.100 53.100 54.043 -0.943 18989 4435 1 7 . 1 1 9 9 ASP CB C 9 45.100 45.100 43.975 1.125 18989 4436 1 7 . 1 1 10 10 SER N N 10 113.600 113.600 116.178 -2.578 18989 4437 1 7 . 1 1 10 10 SER HA H 10 5.990 5.990 5.596 0.394 18989 4438 1 7 . 1 1 10 10 SER C C 10 172.600 172.600 173.143 -0.543 18989 4439 1 7 . 1 1 10 10 SER CA C 10 57.300 57.300 56.772 0.528 18989 4440 1 7 . 1 1 10 10 SER CB C 10 68.100 68.100 66.622 1.478 18989 4441 1 7 . 1 1 11 11 ILE N N 11 122.700 122.700 120.614 2.086 18989 4442 1 7 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.346 0.174 18989 4443 1 7 . 1 1 11 11 ILE C C 11 171.300 171.300 173.151 -1.851 18989 4444 1 7 . 1 1 11 11 ILE CA C 11 61.000 61.000 61.345 -0.345 18989 4445 1 7 . 1 1 11 11 ILE CB C 11 43.400 43.400 41.821 1.579 18989 4446 1 7 . 1 1 12 12 ASN N N 12 124.600 124.600 125.405 -0.805 18989 4447 1 7 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.907 0.373 18989 4448 1 7 . 1 1 12 12 ASN C C 12 174.700 174.700 174.651 0.049 18989 4449 1 7 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.645 -0.345 18989 4450 1 7 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.235 0.365 18989 4451 1 7 . 1 1 13 13 ILE N N 13 122.900 122.900 124.829 -1.929 18989 4452 1 7 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.291 0.159 18989 4453 1 7 . 1 1 13 13 ILE C C 13 175.300 175.300 175.430 -0.130 18989 4454 1 7 . 1 1 13 13 ILE CA C 13 60.300 60.300 60.484 -0.184 18989 4455 1 7 . 1 1 13 13 ILE CB C 13 41.600 41.600 39.859 1.741 18989 4456 1 7 . 1 1 14 14 ALA N N 14 136.600 136.600 130.574 6.026 18989 4457 1 7 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.651 0.049 18989 4458 1 7 . 1 1 14 14 ALA C C 14 175.100 175.100 176.351 -1.251 18989 4459 1 7 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.108 -0.109 18989 4460 1 7 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.549 -1.249 18989 4461 1 7 . 1 1 15 15 ALA N N 15 122.100 122.100 122.570 -0.470 18989 4462 1 7 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.765 -0.005 18989 4463 1 7 . 1 1 15 15 ALA CA C 15 50.000 50.000 49.570 0.430 18989 4464 1 7 . 1 1 15 15 ALA CB C 15 21.100 21.100 19.990 1.110 18989 4465 1 7 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.463 0.147 18989 4466 1 7 . 1 1 16 16 PRO C C 16 179.200 179.200 177.558 1.642 18989 4467 1 7 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.735 -0.635 18989 4468 1 7 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.803 0.297 18989 4469 1 7 . 1 1 17 17 ILE N N 17 124.400 124.400 121.531 2.869 18989 4470 1 7 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.724 0.266 18989 4471 1 7 . 1 1 17 17 ILE C C 17 175.800 175.800 176.982 -1.182 18989 4472 1 7 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.556 1.144 18989 4473 1 7 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.178 0.522 18989 4474 1 7 . 1 1 18 18 ASN N N 18 117.200 117.200 117.616 -0.416 18989 4475 1 7 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.298 0.392 18989 4476 1 7 . 1 1 18 18 ASN C C 18 178.700 178.700 177.384 1.316 18989 4477 1 7 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.768 -0.968 18989 4478 1 7 . 1 1 18 18 ASN CB C 18 37.100 37.100 38.099 -0.999 18989 4479 1 7 . 1 1 19 19 GLN N N 19 120.300 120.300 119.187 1.113 18989 4480 1 7 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.027 0.093 18989 4481 1 7 . 1 1 19 19 GLN C C 19 178.500 178.500 178.549 -0.049 18989 4482 1 7 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.775 -0.475 18989 4483 1 7 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.938 -0.638 18989 4484 1 7 . 1 1 20 20 VAL N N 20 120.300 120.300 120.278 0.022 18989 4485 1 7 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.637 -0.187 18989 4486 1 7 . 1 1 20 20 VAL C C 20 177.500 177.500 178.028 -0.528 18989 4487 1 7 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.656 -0.456 18989 4488 1 7 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.823 -0.923 18989 4489 1 7 . 1 1 21 21 TYR N N 21 118.800 118.800 120.675 -1.875 18989 4490 1 7 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.127 -0.547 18989 4491 1 7 . 1 1 21 21 TYR C C 21 177.800 177.800 177.130 0.670 18989 4492 1 7 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.323 1.577 18989 4493 1 7 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.361 0.040 18989 4494 1 7 . 1 1 22 22 ALA N N 22 120.400 120.400 121.097 -0.697 18989 4495 1 7 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.942 -0.182 18989 4496 1 7 . 1 1 22 22 ALA C C 22 178.000 178.000 178.117 -0.117 18989 4497 1 7 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.454 0.246 18989 4498 1 7 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.681 -0.181 18989 4499 1 7 . 1 1 23 23 LEU N N 23 116.400 116.400 116.633 -0.233 18989 4500 1 7 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.270 -0.040 18989 4501 1 7 . 1 1 23 23 LEU C C 23 177.200 177.200 178.357 -1.157 18989 4502 1 7 . 1 1 23 23 LEU CA C 23 58.000 58.000 55.548 2.452 18989 4503 1 7 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.351 1.049 18989 4504 1 7 . 1 1 24 24 VAL N N 24 128.600 128.600 117.747 10.853 18989 4505 1 7 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.805 -0.445 18989 4506 1 7 . 1 1 24 24 VAL C C 24 175.200 175.200 175.800 -0.600 18989 4507 1 7 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.746 -0.446 18989 4508 1 7 . 1 1 24 24 VAL CB C 24 30.800 30.800 32.470 -1.670 18989 4509 1 7 . 1 1 25 25 SER N N 25 108.500 108.500 109.929 -1.429 18989 4510 1 7 . 1 1 25 25 SER HA H 25 2.520 2.520 4.505 -1.985 18989 4511 1 7 . 1 1 25 25 SER CA C 25 58.200 58.200 58.056 0.144 18989 4512 1 7 . 1 1 25 25 SER CB C 25 63.600 63.600 64.873 -1.273 18989 4513 1 7 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.552 0.358 18989 4514 1 7 . 1 1 26 26 ASP C C 26 175.500 175.500 176.395 -0.895 18989 4515 1 7 . 1 1 26 26 ASP CA C 26 51.200 51.200 53.709 -2.509 18989 4516 1 7 . 1 1 26 26 ASP CB C 26 38.100 38.100 41.334 -3.234 18989 4517 1 7 . 1 1 27 27 ILE N N 27 123.500 123.500 115.252 8.248 18989 4518 1 7 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.050 -0.660 18989 4519 1 7 . 1 1 27 27 ILE C C 27 178.900 178.900 175.587 3.313 18989 4520 1 7 . 1 1 27 27 ILE CA C 27 61.700 61.700 61.234 0.466 18989 4521 1 7 . 1 1 27 27 ILE CB C 27 36.600 36.600 36.533 0.067 18989 4522 1 7 . 1 1 28 28 THR N N 28 112.500 112.500 112.463 0.037 18989 4523 1 7 . 1 1 28 28 THR HA H 28 4.350 4.350 3.812 0.538 18989 4524 1 7 . 1 1 28 28 THR C C 28 176.500 176.500 174.388 2.112 18989 4525 1 7 . 1 1 28 28 THR CA C 28 64.000 64.000 62.329 1.671 18989 4526 1 7 . 1 1 28 28 THR CB C 28 68.600 68.600 67.690 0.910 18989 4527 1 7 . 1 1 29 29 ARG N N 29 121.100 121.100 125.592 -4.492 18989 4528 1 7 . 1 1 29 29 ARG HA H 29 4.280 4.280 3.869 0.411 18989 4529 1 7 . 1 1 29 29 ARG CA C 29 56.200 56.200 57.015 -0.815 18989 4530 1 7 . 1 1 29 29 ARG CB C 29 30.600 30.600 29.491 1.109 18989 4531 1 7 . 1 1 30 30 THR HA H 30 5.870 5.870 4.469 1.401 18989 4532 1 7 . 1 1 30 30 THR C C 30 174.000 174.000 172.750 1.250 18989 4533 1 7 . 1 1 30 30 THR CA C 30 66.000 66.000 61.918 4.082 18989 4534 1 7 . 1 1 30 30 THR CB C 30 69.400 69.400 70.428 -1.028 18989 4535 1 7 . 1 1 31 31 GLY N N 31 106.200 106.200 113.424 -7.224 18989 4536 1 7 . 1 1 31 31 GLY C C 31 175.200 175.200 173.653 1.547 18989 4537 1 7 . 1 1 31 31 GLY CA C 31 46.200 46.200 44.550 1.650 18989 4538 1 7 . 1 1 32 32 GLU N N 32 118.400 118.400 122.009 -3.609 18989 4539 1 7 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.405 -0.435 18989 4540 1 7 . 1 1 32 32 GLU C C 32 177.500 177.500 177.012 0.488 18989 4541 1 7 . 1 1 32 32 GLU CA C 32 58.800 58.800 56.285 2.515 18989 4542 1 7 . 1 1 32 32 GLU CB C 32 29.800 29.800 30.276 -0.476 18989 4543 1 7 . 1 1 33 33 TRP N N 33 113.200 113.200 121.023 -7.823 18989 4544 1 7 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.671 0.269 18989 4545 1 7 . 1 1 33 33 TRP C C 33 175.300 175.300 176.673 -1.373 18989 4546 1 7 . 1 1 33 33 TRP CA C 33 56.400 56.400 57.575 -1.175 18989 4547 1 7 . 1 1 33 33 TRP CB C 33 30.600 30.600 30.432 0.168 18989 4548 1 7 . 1 1 34 34 SER N N 34 118.600 118.600 114.905 3.695 18989 4549 1 7 . 1 1 34 34 SER HA H 34 4.930 4.930 4.798 0.132 18989 4550 1 7 . 1 1 34 34 SER CA C 34 54.700 54.700 57.181 -2.482 18989 4551 1 7 . 1 1 34 34 SER CB C 34 63.000 63.000 63.960 -0.960 18989 4552 1 7 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.746 -0.286 18989 4553 1 7 . 1 1 35 35 PRO C C 35 177.100 177.100 176.528 0.572 18989 4554 1 7 . 1 1 35 35 PRO CA C 35 64.500 64.500 62.180 2.320 18989 4555 1 7 . 1 1 35 35 PRO CB C 35 32.300 32.300 33.730 -1.430 18989 4556 1 7 . 1 1 36 36 VAL N N 36 113.900 113.900 117.523 -3.623 18989 4557 1 7 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.028 0.072 18989 4558 1 7 . 1 1 36 36 VAL C C 36 174.200 174.200 175.998 -1.798 18989 4559 1 7 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.746 0.154 18989 4560 1 7 . 1 1 36 36 VAL CB C 36 32.500 32.500 32.374 0.126 18989 4561 1 7 . 1 1 37 37 CYS N N 37 121.000 121.000 118.173 2.827 18989 4562 1 7 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.503 -0.043 18989 4563 1 7 . 1 1 37 37 CYS C C 37 173.600 173.600 175.370 -1.770 18989 4564 1 7 . 1 1 37 37 CYS CA C 37 58.500 58.500 59.303 -0.803 18989 4565 1 7 . 1 1 37 37 CYS CB C 37 27.000 27.000 25.987 1.013 18989 4566 1 7 . 1 1 38 38 GLU N N 38 129.300 129.300 127.681 1.619 18989 4567 1 7 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.121 0.019 18989 4568 1 7 . 1 1 38 38 GLU C C 38 176.500 176.500 176.450 0.050 18989 4569 1 7 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.648 -0.748 18989 4570 1 7 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.395 1.405 18989 4571 1 7 . 1 1 39 39 LYS N N 39 117.100 117.100 116.008 1.092 18989 4572 1 7 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.438 0.032 18989 4573 1 7 . 1 1 39 39 LYS C C 39 173.600 173.600 173.940 -0.340 18989 4574 1 7 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.782 0.018 18989 4575 1 7 . 1 1 39 39 LYS CB C 39 36.500 36.500 35.355 1.145 18989 4576 1 7 . 1 1 40 40 CYS N N 40 125.100 125.100 120.974 4.126 18989 4577 1 7 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.338 0.072 18989 4578 1 7 . 1 1 40 40 CYS C C 40 173.000 173.000 173.791 -0.791 18989 4579 1 7 . 1 1 40 40 CYS CA C 40 57.100 57.100 55.963 1.137 18989 4580 1 7 . 1 1 40 40 CYS CB C 40 30.100 30.100 28.732 1.368 18989 4581 1 7 . 1 1 41 41 TRP N N 41 124.300 124.300 127.003 -2.703 18989 4582 1 7 . 1 1 41 41 TRP HA H 41 4.830 4.830 5.017 -0.187 18989 4583 1 7 . 1 1 41 41 TRP C C 41 174.100 174.100 175.141 -1.041 18989 4584 1 7 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.798 -0.498 18989 4585 1 7 . 1 1 41 41 TRP CB C 41 32.400 32.400 31.552 0.848 18989 4586 1 7 . 1 1 42 42 TRP N N 42 123.700 123.700 123.784 -0.084 18989 4587 1 7 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.999 -0.169 18989 4588 1 7 . 1 1 42 42 TRP C C 42 178.200 178.200 176.093 2.107 18989 4589 1 7 . 1 1 42 42 TRP CA C 42 57.000 57.000 56.768 0.232 18989 4590 1 7 . 1 1 42 42 TRP CB C 42 31.600 31.600 32.359 -0.759 18989 4591 1 7 . 1 1 43 43 ASP N N 43 124.400 124.400 124.525 -0.125 18989 4592 1 7 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.588 0.092 18989 4593 1 7 . 1 1 43 43 ASP C C 43 176.300 176.300 177.220 -0.920 18989 4594 1 7 . 1 1 43 43 ASP CA C 43 56.300 56.300 55.297 1.003 18989 4595 1 7 . 1 1 43 43 ASP CB C 43 40.300 40.300 41.538 -1.238 18989 4596 1 7 . 1 1 44 44 GLU N N 44 119.400 119.400 119.422 -0.022 18989 4597 1 7 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.221 0.049 18989 4598 1 7 . 1 1 44 44 GLU C C 44 176.500 176.500 177.414 -0.914 18989 4599 1 7 . 1 1 44 44 GLU CA C 44 57.600 57.600 59.005 -1.405 18989 4600 1 7 . 1 1 44 44 GLU CB C 44 30.200 30.200 29.502 0.698 18989 4601 1 7 . 1 1 45 45 ASP N N 45 118.300 118.300 118.713 -0.413 18989 4602 1 7 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.444 0.036 18989 4603 1 7 . 1 1 45 45 ASP C C 45 175.900 175.900 178.020 -2.120 18989 4604 1 7 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.663 -0.663 18989 4605 1 7 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.805 -0.605 18989 4606 1 7 . 1 1 46 46 GLU N N 46 118.200 118.200 118.204 -0.004 18989 4607 1 7 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.449 0.011 18989 4608 1 7 . 1 1 46 46 GLU C C 46 175.200 175.200 177.012 -1.812 18989 4609 1 7 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.481 0.118 18989 4610 1 7 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.993 -0.193 18989 4611 1 7 . 1 1 47 47 GLY N N 47 106.400 106.400 109.002 -2.602 18989 4612 1 7 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.832 -1.232 18989 4613 1 7 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.800 -0.210 18989 4614 1 7 . 1 1 48 48 PRO C C 48 173.400 173.400 176.040 -2.640 18989 4615 1 7 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.915 0.185 18989 4616 1 7 . 1 1 48 48 PRO CB C 48 29.100 29.100 31.331 -2.232 18989 4617 1 7 . 1 1 49 49 VAL N N 49 121.900 121.900 117.947 3.953 18989 4618 1 7 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.666 -0.056 18989 4619 1 7 . 1 1 49 49 VAL C C 49 175.100 175.100 175.035 0.065 18989 4620 1 7 . 1 1 49 49 VAL CA C 49 59.300 59.300 57.984 1.316 18989 4621 1 7 . 1 1 49 49 VAL CB C 49 35.500 35.500 33.820 1.680 18989 4622 1 7 . 1 1 50 50 VAL N N 50 121.700 121.700 120.014 1.686 18989 4623 1 7 . 1 1 50 50 VAL HA H 50 3.300 3.300 4.304 -1.004 18989 4624 1 7 . 1 1 50 50 VAL C C 50 177.400 177.400 177.323 0.077 18989 4625 1 7 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.493 2.707 18989 4626 1 7 . 1 1 50 50 VAL CB C 50 31.300 31.300 31.988 -0.688 18989 4627 1 7 . 1 1 51 51 GLY N N 51 115.800 115.800 116.455 -0.655 18989 4628 1 7 . 1 1 51 51 GLY C C 51 174.200 174.200 174.136 0.064 18989 4629 1 7 . 1 1 51 51 GLY CA C 51 44.600 44.600 45.023 -0.423 18989 4630 1 7 . 1 1 52 52 ALA N N 52 123.000 123.000 125.250 -2.250 18989 4631 1 7 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.600 -0.050 18989 4632 1 7 . 1 1 52 52 ALA C C 52 177.300 177.300 176.859 0.441 18989 4633 1 7 . 1 1 52 52 ALA CA C 52 52.800 52.800 51.486 1.314 18989 4634 1 7 . 1 1 52 52 ALA CB C 52 23.100 23.100 18.624 4.476 18989 4635 1 7 . 1 1 53 53 HIS N N 53 115.900 115.900 125.938 -10.038 18989 4636 1 7 . 1 1 53 53 HIS HA H 53 6.020 6.020 4.898 1.122 18989 4637 1 7 . 1 1 53 53 HIS C C 53 174.200 174.200 174.229 -0.029 18989 4638 1 7 . 1 1 53 53 HIS CA C 53 55.200 55.200 55.956 -0.756 18989 4639 1 7 . 1 1 53 53 HIS CB C 53 32.100 32.100 30.551 1.549 18989 4640 1 7 . 1 1 54 54 PHE N N 54 115.800 115.800 123.058 -7.258 18989 4641 1 7 . 1 1 54 54 PHE HA H 54 5.150 5.150 4.960 0.190 18989 4642 1 7 . 1 1 54 54 PHE C C 54 172.600 172.600 172.885 -0.285 18989 4643 1 7 . 1 1 54 54 PHE CA C 54 55.500 55.500 55.559 -0.059 18989 4644 1 7 . 1 1 54 54 PHE CB C 54 41.700 41.700 41.967 -0.267 18989 4645 1 7 . 1 1 55 55 THR N N 55 118.300 118.300 116.371 1.929 18989 4646 1 7 . 1 1 55 55 THR HA H 55 4.770 4.770 4.696 0.074 18989 4647 1 7 . 1 1 55 55 THR C C 55 171.800 171.800 173.213 -1.413 18989 4648 1 7 . 1 1 55 55 THR CA C 55 61.000 61.000 61.349 -0.349 18989 4649 1 7 . 1 1 55 55 THR CB C 55 70.200 70.200 71.676 -1.476 18989 4650 1 7 . 1 1 56 56 GLY N N 56 110.500 110.500 112.190 -1.690 18989 4651 1 7 . 1 1 56 56 GLY C C 56 171.100 171.100 172.531 -1.431 18989 4652 1 7 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.210 0.090 18989 4653 1 7 . 1 1 57 57 ARG N N 57 123.800 123.800 126.961 -3.161 18989 4654 1 7 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.358 0.302 18989 4655 1 7 . 1 1 57 57 ARG C C 57 172.900 172.900 174.547 -1.647 18989 4656 1 7 . 1 1 57 57 ARG CA C 57 55.300 55.300 55.651 -0.351 18989 4657 1 7 . 1 1 57 57 ARG CB C 57 32.500 32.500 31.535 0.965 18989 4658 1 7 . 1 1 58 58 ASN N N 58 127.200 127.200 124.481 2.719 18989 4659 1 7 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.003 0.057 18989 4660 1 7 . 1 1 58 58 ASN C C 58 173.100 173.100 172.995 0.105 18989 4661 1 7 . 1 1 58 58 ASN CA C 58 51.900 51.900 52.603 -0.703 18989 4662 1 7 . 1 1 58 58 ASN CB C 58 38.800 38.800 42.331 -3.531 18989 4663 1 7 . 1 1 59 59 VAL N N 59 121.400 121.400 125.238 -3.838 18989 4664 1 7 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.538 0.142 18989 4665 1 7 . 1 1 59 59 VAL C C 59 175.100 175.100 173.630 1.470 18989 4666 1 7 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.527 1.873 18989 4667 1 7 . 1 1 59 59 VAL CB C 59 35.800 35.800 35.095 0.705 18989 4668 1 7 . 1 1 60 60 THR N N 60 118.000 118.000 119.819 -1.819 18989 4669 1 7 . 1 1 60 60 THR HA H 60 5.000 5.000 4.995 0.005 18989 4670 1 7 . 1 1 60 60 THR CA C 60 58.900 58.900 58.511 0.389 18989 4671 1 7 . 1 1 60 60 THR CB C 60 70.200 70.200 69.681 0.519 18989 4672 1 7 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.408 -0.128 18989 4673 1 7 . 1 1 61 61 PRO C C 61 177.700 177.700 177.130 0.570 18989 4674 1 7 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.417 1.083 18989 4675 1 7 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.711 0.089 18989 4676 1 7 . 1 1 62 62 GLU N N 62 111.700 111.700 117.218 -5.518 18989 4677 1 7 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.344 -0.064 18989 4678 1 7 . 1 1 62 62 GLU C C 62 176.500 176.500 176.459 0.041 18989 4679 1 7 . 1 1 62 62 GLU CA C 62 57.600 57.600 56.928 0.672 18989 4680 1 7 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.241 0.759 18989 4681 1 7 . 1 1 63 63 ARG N N 63 118.000 118.000 119.486 -1.486 18989 4682 1 7 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.685 0.005 18989 4683 1 7 . 1 1 63 63 ARG C C 63 174.000 174.000 174.325 -0.325 18989 4684 1 7 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.901 0.799 18989 4685 1 7 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.326 0.374 18989 4686 1 7 . 1 1 64 64 THR N N 64 120.700 120.700 123.145 -2.445 18989 4687 1 7 . 1 1 64 64 THR HA H 64 5.780 5.780 4.784 0.996 18989 4688 1 7 . 1 1 64 64 THR C C 64 174.000 174.000 173.358 0.642 18989 4689 1 7 . 1 1 64 64 THR CA C 64 61.600 61.600 62.520 -0.920 18989 4690 1 7 . 1 1 64 64 THR CB C 64 71.700 71.700 69.876 1.823 18989 4691 1 7 . 1 1 65 65 TRP N N 65 128.000 128.000 128.909 -0.909 18989 4692 1 7 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.940 0.230 18989 4693 1 7 . 1 1 65 65 TRP C C 65 172.800 172.800 174.010 -1.210 18989 4694 1 7 . 1 1 65 65 TRP CA C 65 57.300 57.300 56.824 0.476 18989 4695 1 7 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.783 -0.883 18989 4696 1 7 . 1 1 66 66 GLU N N 66 120.800 120.800 124.489 -3.689 18989 4697 1 7 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.979 0.611 18989 4698 1 7 . 1 1 66 66 GLU C C 66 177.300 177.300 175.117 2.183 18989 4699 1 7 . 1 1 66 66 GLU CA C 66 54.200 54.200 54.527 -0.327 18989 4700 1 7 . 1 1 66 66 GLU CB C 66 32.700 32.700 32.740 -0.040 18989 4701 1 7 . 1 1 67 67 THR N N 67 113.700 113.700 114.227 -0.527 18989 4702 1 7 . 1 1 67 67 THR HA H 67 4.750 4.750 4.757 -0.007 18989 4703 1 7 . 1 1 67 67 THR C C 67 173.300 173.300 174.273 -0.973 18989 4704 1 7 . 1 1 67 67 THR CA C 67 59.500 59.500 61.084 -1.584 18989 4705 1 7 . 1 1 67 67 THR CB C 67 71.500 71.500 71.018 0.482 18989 4706 1 7 . 1 1 68 68 ARG N N 68 125.300 125.300 126.786 -1.486 18989 4707 1 7 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.635 0.225 18989 4708 1 7 . 1 1 68 68 ARG C C 68 175.700 175.700 175.141 0.559 18989 4709 1 7 . 1 1 68 68 ARG CA C 68 55.000 55.000 55.093 -0.093 18989 4710 1 7 . 1 1 68 68 ARG CB C 68 31.700 31.700 29.904 1.796 18989 4711 1 7 . 1 1 69 69 SER N N 69 122.000 122.000 120.227 1.773 18989 4712 1 7 . 1 1 69 69 SER HA H 69 5.570 5.570 5.270 0.300 18989 4713 1 7 . 1 1 69 69 SER C C 69 172.200 172.200 172.546 -0.346 18989 4714 1 7 . 1 1 69 69 SER CA C 69 58.000 58.000 56.693 1.307 18989 4715 1 7 . 1 1 69 69 SER CB C 69 66.700 66.700 66.493 0.207 18989 4716 1 7 . 1 1 70 70 GLU N N 70 121.900 121.900 122.348 -0.448 18989 4717 1 7 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.892 0.308 18989 4718 1 7 . 1 1 70 70 GLU C C 70 176.000 176.000 175.498 0.502 18989 4719 1 7 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.776 -1.176 18989 4720 1 7 . 1 1 70 70 GLU CB C 70 34.700 34.700 33.532 1.168 18989 4721 1 7 . 1 1 71 71 VAL N N 71 126.600 126.600 127.802 -1.202 18989 4722 1 7 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.231 0.019 18989 4723 1 7 . 1 1 71 71 VAL C C 71 177.600 177.600 176.647 0.953 18989 4724 1 7 . 1 1 71 71 VAL CA C 71 64.800 64.800 64.174 0.626 18989 4725 1 7 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.942 1.258 18989 4726 1 7 . 1 1 72 72 ILE N N 72 123.200 123.200 125.244 -2.044 18989 4727 1 7 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.404 0.326 18989 4728 1 7 . 1 1 72 72 ILE C C 72 175.200 175.200 175.923 -0.723 18989 4729 1 7 . 1 1 72 72 ILE CA C 72 62.000 62.000 61.847 0.153 18989 4730 1 7 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.816 0.784 18989 4731 1 7 . 1 1 73 73 VAL N N 73 121.700 121.700 120.482 1.218 18989 4732 1 7 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.362 -0.163 18989 4733 1 7 . 1 1 73 73 VAL C C 73 172.000 172.000 173.579 -1.579 18989 4734 1 7 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.749 0.351 18989 4735 1 7 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.840 -1.141 18989 4736 1 7 . 1 1 74 74 ALA N N 74 131.100 131.100 131.002 0.098 18989 4737 1 7 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.157 0.163 18989 4738 1 7 . 1 1 74 74 ALA C C 74 174.900 174.900 176.256 -1.356 18989 4739 1 7 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.561 1.139 18989 4740 1 7 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.484 -2.184 18989 4741 1 7 . 1 1 75 75 GLU N N 75 126.100 126.100 124.082 2.018 18989 4742 1 7 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.931 0.039 18989 4743 1 7 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.894 -0.794 18989 4744 1 7 . 1 1 75 75 GLU CB C 75 31.300 31.300 31.797 -0.496 18989 4745 1 7 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.286 -1.666 18989 4746 1 7 . 1 1 76 76 PRO CA C 76 63.900 63.900 64.075 -0.175 18989 4747 1 7 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.410 0.489 18989 4748 1 7 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.239 -0.479 18989 4749 1 7 . 1 1 77 77 ASN C C 77 172.700 172.700 174.540 -1.840 18989 4750 1 7 . 1 1 77 77 ASN CA C 77 55.100 55.100 54.704 0.396 18989 4751 1 7 . 1 1 77 77 ASN CB C 77 36.900 36.900 36.995 -0.095 18989 4752 1 7 . 1 1 78 78 ARG N N 78 115.300 115.300 116.345 -1.045 18989 4753 1 7 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.651 0.249 18989 4754 1 7 . 1 1 78 78 ARG C C 78 176.000 176.000 174.508 1.492 18989 4755 1 7 . 1 1 78 78 ARG CA C 78 58.300 58.300 56.713 1.587 18989 4756 1 7 . 1 1 78 78 ARG CB C 78 34.000 34.000 33.883 0.117 18989 4757 1 7 . 1 1 79 79 CYS N N 79 117.700 117.700 116.315 1.385 18989 4758 1 7 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.198 0.472 18989 4759 1 7 . 1 1 79 79 CYS C C 79 172.200 172.200 172.386 -0.186 18989 4760 1 7 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.547 -0.347 18989 4761 1 7 . 1 1 79 79 CYS CB C 79 29.500 29.500 30.676 -1.176 18989 4762 1 7 . 1 1 80 80 PHE N N 80 129.500 129.500 127.683 1.817 18989 4763 1 7 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.489 0.031 18989 4764 1 7 . 1 1 80 80 PHE C C 80 173.400 173.400 174.100 -0.700 18989 4765 1 7 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.344 1.556 18989 4766 1 7 . 1 1 80 80 PHE CB C 80 43.800 43.800 42.719 1.081 18989 4767 1 7 . 1 1 81 81 GLY N N 81 114.500 114.500 114.708 -0.208 18989 4768 1 7 . 1 1 81 81 GLY C C 81 171.900 171.900 171.792 0.108 18989 4769 1 7 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.478 2.122 18989 4770 1 7 . 1 1 82 82 TRP N N 82 121.700 121.700 121.335 0.365 18989 4771 1 7 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.714 0.076 18989 4772 1 7 . 1 1 82 82 TRP C C 82 171.500 171.500 173.716 -2.216 18989 4773 1 7 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.547 2.853 18989 4774 1 7 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.672 1.228 18989 4775 1 7 . 1 1 83 83 SER N N 83 113.600 113.600 114.705 -1.105 18989 4776 1 7 . 1 1 83 83 SER HA H 83 5.680 5.680 5.481 0.199 18989 4777 1 7 . 1 1 83 83 SER C C 83 174.500 174.500 174.778 -0.278 18989 4778 1 7 . 1 1 83 83 SER CA C 83 54.800 54.800 56.953 -2.153 18989 4779 1 7 . 1 1 83 83 SER CB C 83 66.700 66.700 65.080 1.620 18989 4780 1 7 . 1 1 84 84 VAL N N 84 125.400 125.400 125.838 -0.438 18989 4781 1 7 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.098 0.752 18989 4782 1 7 . 1 1 84 84 VAL C C 84 176.500 176.500 176.409 0.091 18989 4783 1 7 . 1 1 84 84 VAL CA C 84 61.400 61.400 63.196 -1.796 18989 4784 1 7 . 1 1 84 84 VAL CB C 84 34.600 34.600 32.737 1.863 18989 4785 1 7 . 1 1 85 85 THR N N 85 120.300 120.300 120.676 -0.376 18989 4786 1 7 . 1 1 85 85 THR HA H 85 3.720 3.720 3.909 -0.189 18989 4787 1 7 . 1 1 85 85 THR C C 85 173.500 173.500 174.135 -0.635 18989 4788 1 7 . 1 1 85 85 THR CA C 85 62.900 62.900 64.397 -1.497 18989 4789 1 7 . 1 1 85 85 THR CB C 85 66.600 66.600 66.839 -0.239 18989 4790 1 7 . 1 1 86 86 ASP N N 86 119.000 119.000 120.827 -1.827 18989 4791 1 7 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.166 0.054 18989 4792 1 7 . 1 1 86 86 ASP C C 86 177.100 177.100 176.406 0.694 18989 4793 1 7 . 1 1 86 86 ASP CA C 86 54.700 54.700 57.735 -3.035 18989 4794 1 7 . 1 1 86 86 ASP CB C 86 39.700 39.700 39.985 -0.285 18989 4795 1 7 . 1 1 87 87 GLY N N 87 103.400 103.400 105.803 -2.403 18989 4796 1 7 . 1 1 87 87 GLY C C 87 175.000 175.000 174.262 0.738 18989 4797 1 7 . 1 1 87 87 GLY CA C 87 45.600 45.600 45.264 0.336 18989 4798 1 7 . 1 1 88 88 ASN N N 88 122.300 122.300 120.696 1.604 18989 4799 1 7 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.811 -0.701 18989 4800 1 7 . 1 1 88 88 ASN C C 88 174.500 174.500 174.821 -0.321 18989 4801 1 7 . 1 1 88 88 ASN CA C 88 55.600 55.600 54.059 1.541 18989 4802 1 7 . 1 1 88 88 ASN CB C 88 38.200 38.200 40.145 -1.944 18989 4803 1 7 . 1 1 89 89 VAL N N 89 115.700 115.700 120.327 -4.627 18989 4804 1 7 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.332 0.498 18989 4805 1 7 . 1 1 89 89 VAL C C 89 174.700 174.700 174.121 0.579 18989 4806 1 7 . 1 1 89 89 VAL CA C 89 59.600 59.600 60.498 -0.898 18989 4807 1 7 . 1 1 89 89 VAL CB C 89 37.000 37.000 32.748 4.252 18989 4808 1 7 . 1 1 90 90 LYS N N 90 123.600 123.600 126.240 -2.640 18989 4809 1 7 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.824 0.185 18989 4810 1 7 . 1 1 90 90 LYS C C 90 174.100 174.100 175.509 -1.409 18989 4811 1 7 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.161 -0.261 18989 4812 1 7 . 1 1 90 90 LYS CB C 90 36.300 36.300 34.272 2.028 18989 4813 1 7 . 1 1 91 91 TRP N N 91 124.600 124.600 124.733 -0.133 18989 4814 1 7 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.972 0.128 18989 4815 1 7 . 1 1 91 91 TRP C C 91 174.600 174.600 174.653 -0.053 18989 4816 1 7 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.795 -0.895 18989 4817 1 7 . 1 1 91 91 TRP CB C 91 30.800 30.800 30.771 0.029 18989 4818 1 7 . 1 1 92 92 ILE N N 92 118.000 118.000 123.309 -5.309 18989 4819 1 7 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.375 0.185 18989 4820 1 7 . 1 1 92 92 ILE C C 92 176.300 176.300 174.508 1.792 18989 4821 1 7 . 1 1 92 92 ILE CA C 92 60.800 60.800 58.927 1.873 18989 4822 1 7 . 1 1 92 92 ILE CB C 92 42.100 42.100 37.994 4.106 18989 4823 1 7 . 1 1 93 93 TYR N N 93 127.700 127.700 128.658 -0.958 18989 4824 1 7 . 1 1 93 93 TYR HA H 93 5.850 5.850 4.941 0.909 18989 4825 1 7 . 1 1 93 93 TYR C C 93 175.300 175.300 175.434 -0.134 18989 4826 1 7 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.992 0.108 18989 4827 1 7 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.125 2.675 18989 4828 1 7 . 1 1 94 94 SER N N 94 117.900 117.900 120.406 -2.506 18989 4829 1 7 . 1 1 94 94 SER HA H 94 5.510 5.510 4.867 0.643 18989 4830 1 7 . 1 1 94 94 SER C C 94 172.700 172.700 173.525 -0.825 18989 4831 1 7 . 1 1 94 94 SER CA C 94 57.300 57.300 58.642 -1.341 18989 4832 1 7 . 1 1 94 94 SER CB C 94 65.600 65.600 64.307 1.293 18989 4833 1 7 . 1 1 95 95 MET N N 95 119.600 119.600 125.637 -6.037 18989 4834 1 7 . 1 1 95 95 MET HA H 95 5.840 5.840 5.144 0.696 18989 4835 1 7 . 1 1 95 95 MET C C 95 173.800 173.800 174.772 -0.972 18989 4836 1 7 . 1 1 95 95 MET CA C 95 54.200 54.200 54.782 -0.582 18989 4837 1 7 . 1 1 95 95 MET CB C 95 37.400 37.400 36.216 1.184 18989 4838 1 7 . 1 1 96 96 GLU N N 96 119.100 119.100 122.796 -3.696 18989 4839 1 7 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.944 0.026 18989 4840 1 7 . 1 1 96 96 GLU CA C 96 52.900 52.900 52.697 0.203 18989 4841 1 7 . 1 1 96 96 GLU CB C 96 33.000 33.000 30.477 2.523 18989 4842 1 7 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.444 0.376 18989 4843 1 7 . 1 1 97 97 PRO C C 97 176.300 176.300 176.164 0.136 18989 4844 1 7 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.950 0.150 18989 4845 1 7 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.348 1.352 18989 4846 1 7 . 1 1 98 98 LEU N N 98 122.900 122.900 126.678 -3.778 18989 4847 1 7 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.566 -0.035 18989 4848 1 7 . 1 1 98 98 LEU C C 98 176.200 176.200 177.378 -1.178 18989 4849 1 7 . 1 1 98 98 LEU CA C 98 54.200 54.200 52.992 1.208 18989 4850 1 7 . 1 1 98 98 LEU CB C 98 44.100 44.100 43.306 0.793 18989 4851 1 7 . 1 1 99 99 GLU N N 99 124.700 124.700 118.739 5.961 18989 4852 1 7 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.176 -0.316 18989 4853 1 7 . 1 1 99 99 GLU C C 99 176.900 176.900 177.436 -0.536 18989 4854 1 7 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.148 1.353 18989 4855 1 7 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.880 -1.880 18989 4856 1 7 . 1 1 100 100 GLU N N 100 118.200 118.200 118.655 -0.455 18989 4857 1 7 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.307 0.123 18989 4858 1 7 . 1 1 100 100 GLU C C 100 176.200 176.200 177.169 -0.969 18989 4859 1 7 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.944 -0.543 18989 4860 1 7 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.420 -0.520 18989 4861 1 7 . 1 1 101 101 GLY N N 101 110.100 110.100 106.865 3.235 18989 4862 1 7 . 1 1 101 101 GLY C C 101 174.100 174.100 173.020 1.080 18989 4863 1 7 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.145 -0.145 18989 4864 1 7 . 1 1 102 102 THR N N 102 120.200 120.200 117.381 2.819 18989 4865 1 7 . 1 1 102 102 THR HA H 102 4.850 4.850 5.127 -0.277 18989 4866 1 7 . 1 1 102 102 THR C C 102 172.700 172.700 173.384 -0.684 18989 4867 1 7 . 1 1 102 102 THR CA C 102 63.700 63.700 62.366 1.334 18989 4868 1 7 . 1 1 102 102 THR CB C 102 73.600 73.600 72.539 1.061 18989 4869 1 7 . 1 1 103 103 VAL N N 103 125.600 125.600 127.859 -2.259 18989 4870 1 7 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.495 0.415 18989 4871 1 7 . 1 1 103 103 VAL C C 103 175.000 175.000 175.418 -0.418 18989 4872 1 7 . 1 1 103 103 VAL CA C 103 61.300 61.300 62.277 -0.977 18989 4873 1 7 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.596 1.103 18989 4874 1 7 . 1 1 104 104 LEU N N 104 133.900 133.900 130.979 2.921 18989 4875 1 7 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.864 0.276 18989 4876 1 7 . 1 1 104 104 LEU C C 104 173.800 173.800 175.448 -1.648 18989 4877 1 7 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.564 -1.264 18989 4878 1 7 . 1 1 104 104 LEU CB C 104 46.100 46.100 43.365 2.735 18989 4879 1 7 . 1 1 105 105 THR N N 105 124.400 124.400 123.896 0.504 18989 4880 1 7 . 1 1 105 105 THR HA H 105 5.210 5.210 4.905 0.304 18989 4881 1 7 . 1 1 105 105 THR C C 105 173.500 173.500 172.768 0.732 18989 4882 1 7 . 1 1 105 105 THR CA C 105 61.500 61.500 61.609 -0.109 18989 4883 1 7 . 1 1 105 105 THR CB C 105 71.100 71.100 70.374 0.726 18989 4884 1 7 . 1 1 106 106 GLU N N 106 126.900 126.900 127.878 -0.978 18989 4885 1 7 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.924 0.436 18989 4886 1 7 . 1 1 106 106 GLU C C 106 173.400 173.400 175.074 -1.674 18989 4887 1 7 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.092 0.308 18989 4888 1 7 . 1 1 106 106 GLU CB C 106 32.000 32.000 32.008 -0.008 18989 4889 1 7 . 1 1 107 107 SER N N 107 120.800 120.800 121.991 -1.191 18989 4890 1 7 . 1 1 107 107 SER HA H 107 5.470 5.470 5.017 0.453 18989 4891 1 7 . 1 1 107 107 SER C C 107 171.600 171.600 173.238 -1.638 18989 4892 1 7 . 1 1 107 107 SER CA C 107 56.000 56.000 57.356 -1.356 18989 4893 1 7 . 1 1 107 107 SER CB C 107 66.700 66.700 64.114 2.586 18989 4894 1 7 . 1 1 108 108 TRP N N 108 124.600 124.600 129.499 -4.899 18989 4895 1 7 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.849 -0.169 18989 4896 1 7 . 1 1 108 108 TRP C C 108 175.000 175.000 174.585 0.415 18989 4897 1 7 . 1 1 108 108 TRP CA C 108 55.900 55.900 56.316 -0.416 18989 4898 1 7 . 1 1 108 108 TRP CB C 108 33.600 33.600 31.188 2.412 18989 4899 1 7 . 1 1 109 109 GLU N N 109 127.200 127.200 126.335 0.865 18989 4900 1 7 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.306 0.194 18989 4901 1 7 . 1 1 109 109 GLU C C 109 172.300 172.300 173.974 -1.674 18989 4902 1 7 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.474 -0.374 18989 4903 1 7 . 1 1 109 109 GLU CB C 109 32.900 32.900 33.708 -0.808 18989 4904 1 7 . 1 1 110 110 PHE N N 110 129.400 129.400 124.333 5.067 18989 4905 1 7 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.794 -0.104 18989 4906 1 7 . 1 1 110 110 PHE C C 110 177.100 177.100 174.354 2.746 18989 4907 1 7 . 1 1 110 110 PHE CA C 110 54.000 54.000 55.768 -1.768 18989 4908 1 7 . 1 1 110 110 PHE CB C 110 38.500 38.500 42.158 -3.658 18989 4909 1 7 . 1 1 111 111 THR N N 111 117.800 117.800 118.928 -1.128 18989 4910 1 7 . 1 1 111 111 THR HA H 111 4.510 4.510 4.495 0.015 18989 4911 1 7 . 1 1 111 111 THR CA C 111 61.800 61.800 59.325 2.475 18989 4912 1 7 . 1 1 111 111 THR CB C 111 66.100 66.100 68.664 -2.564 18989 4913 1 7 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.054 -0.064 18989 4914 1 7 . 1 1 113 113 LYS C C 113 179.200 179.200 178.761 0.439 18989 4915 1 7 . 1 1 114 114 GLY N N 114 110.100 110.100 106.646 3.454 18989 4916 1 7 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.644 0.456 18989 4917 1 7 . 1 1 115 115 GLN N N 115 121.100 121.100 121.711 -0.611 18989 4918 1 7 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.495 -0.485 18989 4919 1 7 . 1 1 115 115 GLN C C 115 178.000 178.000 178.203 -0.203 18989 4920 1 7 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.769 1.131 18989 4921 1 7 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.699 0.701 18989 4922 1 7 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.142 -0.002 18989 4923 1 7 . 1 1 116 116 ARG C C 116 177.900 177.900 178.179 -0.279 18989 4924 1 7 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.139 0.361 18989 4925 1 7 . 1 1 116 116 ARG CB C 116 30.000 30.000 30.111 -0.111 18989 4926 1 7 . 1 1 117 117 PHE N N 117 120.800 120.800 120.623 0.177 18989 4927 1 7 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.087 0.383 18989 4928 1 7 . 1 1 117 117 PHE C C 117 178.100 178.100 177.044 1.056 18989 4929 1 7 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.368 -0.168 18989 4930 1 7 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.473 0.527 18989 4931 1 7 . 1 1 118 118 PHE N N 118 119.600 119.600 115.673 3.927 18989 4932 1 7 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.083 0.147 18989 4933 1 7 . 1 1 118 118 PHE C C 118 178.500 178.500 178.120 0.380 18989 4934 1 7 . 1 1 118 118 PHE CA C 118 62.300 62.300 62.670 -0.370 18989 4935 1 7 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.180 1.020 18989 4936 1 7 . 1 1 119 119 HIS N N 119 120.900 120.900 118.584 2.316 18989 4937 1 7 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.367 0.253 18989 4938 1 7 . 1 1 119 119 HIS C C 119 178.500 178.500 176.737 1.763 18989 4939 1 7 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.763 0.137 18989 4940 1 7 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.001 -0.301 18989 4941 1 7 . 1 1 120 120 ASP N N 120 120.400 120.400 117.708 2.692 18989 4942 1 7 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.506 -0.176 18989 4943 1 7 . 1 1 120 120 ASP C C 120 177.500 177.500 177.615 -0.115 18989 4944 1 7 . 1 1 120 120 ASP CA C 120 57.200 57.200 55.967 1.233 18989 4945 1 7 . 1 1 120 120 ASP CB C 120 40.500 40.500 41.436 -0.936 18989 4946 1 7 . 1 1 121 121 LYS N N 121 118.100 118.100 118.784 -0.684 18989 4947 1 7 . 1 1 121 121 LYS HA H 121 3.810 3.810 4.047 -0.237 18989 4948 1 7 . 1 1 121 121 LYS C C 121 178.200 178.200 177.784 0.416 18989 4949 1 7 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.801 0.299 18989 4950 1 7 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.451 0.749 18989 4951 1 7 . 1 1 122 122 PHE N N 122 112.800 112.800 116.459 -3.659 18989 4952 1 7 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.405 0.275 18989 4953 1 7 . 1 1 122 122 PHE C C 122 177.600 177.600 177.569 0.031 18989 4954 1 7 . 1 1 122 122 PHE CA C 122 58.100 58.100 59.945 -1.845 18989 4955 1 7 . 1 1 122 122 PHE CB C 122 40.000 40.000 39.937 0.063 18989 4956 1 7 . 1 1 123 123 GLY N N 123 112.200 112.200 106.811 5.389 18989 4957 1 7 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.425 0.875 18989 4958 1 7 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.426 0.154 18989 4959 1 7 . 1 1 124 124 ASP C C 124 177.700 177.700 178.312 -0.612 18989 4960 1 7 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.642 0.158 18989 4961 1 7 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.868 -0.768 18989 4962 1 7 . 1 1 125 125 LYS N N 125 118.400 118.400 118.760 -0.360 18989 4963 1 7 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.124 0.546 18989 4964 1 7 . 1 1 125 125 LYS C C 125 177.100 177.100 177.820 -0.720 18989 4965 1 7 . 1 1 125 125 LYS CA C 125 56.000 56.000 58.247 -2.247 18989 4966 1 7 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.024 0.276 18989 4967 1 7 . 1 1 126 126 SER N N 126 116.600 116.600 114.896 1.704 18989 4968 1 7 . 1 1 126 126 SER HA H 126 3.830 3.830 4.464 -0.634 18989 4969 1 7 . 1 1 126 126 SER C C 126 175.700 175.700 176.292 -0.592 18989 4970 1 7 . 1 1 126 126 SER CA C 126 62.700 62.700 60.634 2.066 18989 4971 1 7 . 1 1 126 126 SER CB C 126 63.000 63.000 62.145 0.855 18989 4972 1 7 . 1 1 127 127 ILE N N 127 122.300 122.300 121.007 1.293 18989 4973 1 7 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.686 0.124 18989 4974 1 7 . 1 1 127 127 ILE C C 127 178.500 178.500 177.740 0.760 18989 4975 1 7 . 1 1 127 127 ILE CA C 127 65.000 65.000 64.799 0.201 18989 4976 1 7 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.525 -0.725 18989 4977 1 7 . 1 1 128 128 GLU N N 128 120.500 120.500 119.699 0.801 18989 4978 1 7 . 1 1 128 128 GLU HA H 128 4.100 4.100 4.188 -0.088 18989 4979 1 7 . 1 1 128 128 GLU C C 128 179.400 179.400 179.400 0.000 18989 4980 1 7 . 1 1 128 128 GLU CA C 128 59.300 59.300 58.992 0.308 18989 4981 1 7 . 1 1 128 128 GLU CB C 128 29.700 29.700 28.774 0.926 18989 4982 1 7 . 1 1 129 129 GLU N N 129 118.800 118.800 118.820 -0.020 18989 4983 1 7 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.819 0.091 18989 4984 1 7 . 1 1 129 129 GLU C C 129 179.900 179.900 179.122 0.778 18989 4985 1 7 . 1 1 129 129 GLU CA C 129 59.000 59.000 59.224 -0.224 18989 4986 1 7 . 1 1 129 129 GLU CB C 129 29.200 29.200 28.762 0.439 18989 4987 1 7 . 1 1 130 130 ILE N N 130 122.700 122.700 116.852 5.848 18989 4988 1 7 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.747 -0.267 18989 4989 1 7 . 1 1 130 130 ILE C C 130 177.600 177.600 177.915 -0.315 18989 4990 1 7 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.545 1.855 18989 4991 1 7 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.453 0.848 18989 4992 1 7 . 1 1 131 131 GLU N N 131 120.100 120.100 121.892 -1.792 18989 4993 1 7 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.951 0.439 18989 4994 1 7 . 1 1 131 131 GLU C C 131 178.800 178.800 178.843 -0.043 18989 4995 1 7 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.641 -1.041 18989 4996 1 7 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.377 -0.477 18989 4997 1 7 . 1 1 132 132 LYS N N 132 118.300 118.300 118.503 -0.203 18989 4998 1 7 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.978 -0.018 18989 4999 1 7 . 1 1 132 132 LYS C C 132 180.400 180.400 179.406 0.994 18989 5000 1 7 . 1 1 132 132 LYS CA C 132 60.300 60.300 58.908 1.392 18989 5001 1 7 . 1 1 132 132 LYS CB C 132 32.700 32.700 31.909 0.791 18989 5002 1 7 . 1 1 133 133 ARG N N 133 118.400 118.400 118.689 -0.289 18989 5003 1 7 . 1 1 133 133 ARG HA H 133 4.060 4.060 4.084 -0.024 18989 5004 1 7 . 1 1 133 133 ARG C C 133 178.600 178.600 178.276 0.324 18989 5005 1 7 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.805 -0.805 18989 5006 1 7 . 1 1 133 133 ARG CB C 133 29.400 29.400 30.199 -0.799 18989 5007 1 7 . 1 1 134 134 ARG N N 134 122.500 122.500 121.565 0.935 18989 5008 1 7 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.147 -0.537 18989 5009 1 7 . 1 1 134 134 ARG C C 134 177.600 177.600 178.461 -0.861 18989 5010 1 7 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.331 0.069 18989 5011 1 7 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.060 0.940 18989 5012 1 7 . 1 1 135 135 LEU N N 135 118.200 118.200 118.682 -0.482 18989 5013 1 7 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.903 -0.093 18989 5014 1 7 . 1 1 135 135 LEU C C 135 179.700 179.700 178.439 1.261 18989 5015 1 7 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.272 0.428 18989 5016 1 7 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.673 -0.273 18989 5017 1 7 . 1 1 136 136 ALA N N 136 120.400 120.400 120.935 -0.535 18989 5018 1 7 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.881 0.149 18989 5019 1 7 . 1 1 136 136 ALA C C 136 180.500 180.500 179.304 1.196 18989 5020 1 7 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.786 -0.086 18989 5021 1 7 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.703 0.397 18989 5022 1 7 . 1 1 137 137 ALA N N 137 123.200 123.200 121.699 1.501 18989 5023 1 7 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.655 0.245 18989 5024 1 7 . 1 1 137 137 ALA C C 137 178.700 178.700 179.167 -0.467 18989 5025 1 7 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.402 0.898 18989 5026 1 7 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.702 -1.902 18989 5027 1 7 . 1 1 138 138 ILE N N 138 115.400 115.400 116.082 -0.682 18989 5028 1 7 . 1 1 138 138 ILE HA H 138 2.830 2.830 3.434 -0.604 18989 5029 1 7 . 1 1 138 138 ILE C C 138 177.800 177.800 177.087 0.713 18989 5030 1 7 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.040 0.160 18989 5031 1 7 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.576 -0.176 18989 5032 1 7 . 1 1 139 139 THR N N 139 109.500 109.500 114.320 -4.820 18989 5033 1 7 . 1 1 139 139 THR HA H 139 4.150 4.150 4.107 0.043 18989 5034 1 7 . 1 1 139 139 THR C C 139 177.300 177.300 176.095 1.205 18989 5035 1 7 . 1 1 139 139 THR CA C 139 64.000 64.000 65.980 -1.980 18989 5036 1 7 . 1 1 139 139 THR CB C 139 69.600 69.600 69.163 0.437 18989 5037 1 7 . 1 1 140 140 GLY N N 140 110.800 110.800 109.925 0.875 18989 5038 1 7 . 1 1 140 140 GLY C C 140 176.700 176.700 175.769 0.931 18989 5039 1 7 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.734 0.066 18989 5040 1 7 . 1 1 141 141 ILE N N 141 122.700 122.700 121.589 1.111 18989 5041 1 7 . 1 1 141 141 ILE HA H 141 4.160 4.160 3.894 0.266 18989 5042 1 7 . 1 1 141 141 ILE CA C 141 68.300 68.300 67.209 1.091 18989 5043 1 7 . 1 1 141 141 ILE CB C 141 36.300 36.300 35.693 0.607 18989 5044 1 7 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.506 -0.156 18989 5045 1 7 . 1 1 142 142 PRO C C 142 179.300 179.300 179.388 -0.088 18989 5046 1 7 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.580 1.120 18989 5047 1 7 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.077 0.123 18989 5048 1 7 . 1 1 143 143 GLU N N 143 113.900 113.900 118.540 -4.640 18989 5049 1 7 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.110 0.060 18989 5050 1 7 . 1 1 143 143 GLU C C 143 179.600 179.600 179.324 0.276 18989 5051 1 7 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.190 0.110 18989 5052 1 7 . 1 1 143 143 GLU CB C 143 30.000 30.000 28.808 1.192 18989 5053 1 7 . 1 1 144 144 THR N N 144 119.900 119.900 117.601 2.299 18989 5054 1 7 . 1 1 144 144 THR HA H 144 4.290 4.290 4.105 0.185 18989 5055 1 7 . 1 1 144 144 THR C C 144 175.800 175.800 176.875 -1.075 18989 5056 1 7 . 1 1 144 144 THR CA C 144 67.000 67.000 66.331 0.669 18989 5057 1 7 . 1 1 144 144 THR CB C 144 69.500 69.500 68.660 0.840 18989 5058 1 7 . 1 1 145 145 LEU N N 145 120.300 120.300 121.910 -1.610 18989 5059 1 7 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.071 -0.161 18989 5060 1 7 . 1 1 145 145 LEU C C 145 178.700 178.700 178.884 -0.184 18989 5061 1 7 . 1 1 145 145 LEU CA C 145 58.600 58.600 57.993 0.607 18989 5062 1 7 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.770 -0.271 18989 5063 1 7 . 1 1 146 146 VAL N N 146 117.600 117.600 117.806 -0.206 18989 5064 1 7 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.680 -0.000 18989 5065 1 7 . 1 1 146 146 VAL C C 146 177.700 177.700 178.277 -0.577 18989 5066 1 7 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.062 0.038 18989 5067 1 7 . 1 1 146 146 VAL CB C 146 32.000 32.000 31.414 0.586 18989 5068 1 7 . 1 1 147 147 ALA N N 147 123.600 123.600 123.323 0.277 18989 5069 1 7 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.047 0.183 18989 5070 1 7 . 1 1 147 147 ALA C C 147 180.400 180.400 179.549 0.851 18989 5071 1 7 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.404 0.196 18989 5072 1 7 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.066 0.734 18989 5073 1 7 . 1 1 148 148 ILE N N 148 119.600 119.600 118.946 0.654 18989 5074 1 7 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.646 -0.336 18989 5075 1 7 . 1 1 148 148 ILE C C 148 177.100 177.100 178.186 -1.086 18989 5076 1 7 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.259 1.041 18989 5077 1 7 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.774 0.426 18989 5078 1 7 . 1 1 149 149 GLN N N 149 119.200 119.200 119.444 -0.244 18989 5079 1 7 . 1 1 149 149 GLN HA H 149 3.670 3.670 4.002 -0.332 18989 5080 1 7 . 1 1 149 149 GLN C C 149 178.000 178.000 178.208 -0.208 18989 5081 1 7 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.236 0.864 18989 5082 1 7 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.788 0.812 18989 5083 1 7 . 1 1 150 150 ARG N N 150 120.500 120.500 120.313 0.187 18989 5084 1 7 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.336 -0.286 18989 5085 1 7 . 1 1 150 150 ARG C C 150 179.000 179.000 178.879 0.121 18989 5086 1 7 . 1 1 150 150 ARG CA C 150 59.300 59.300 58.322 0.978 18989 5087 1 7 . 1 1 150 150 ARG CB C 150 30.000 30.000 29.628 0.372 18989 5088 1 7 . 1 1 151 151 ILE N N 151 119.100 119.100 120.158 -1.058 18989 5089 1 7 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.822 -0.172 18989 5090 1 7 . 1 1 151 151 ILE C C 151 178.500 178.500 177.464 1.036 18989 5091 1 7 . 1 1 151 151 ILE CA C 151 65.300 65.300 63.702 1.598 18989 5092 1 7 . 1 1 151 151 ILE CB C 151 39.000 39.000 37.883 1.117 18989 5093 1 7 . 1 1 152 152 LEU N N 152 117.100 117.100 119.740 -2.640 18989 5094 1 7 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.842 0.238 18989 5095 1 7 . 1 1 152 152 LEU C C 152 178.700 178.700 178.841 -0.141 18989 5096 1 7 . 1 1 152 152 LEU CA C 152 57.000 57.000 58.053 -1.053 18989 5097 1 7 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.526 1.374 18989 5098 1 7 . 1 1 153 153 GLU N N 153 117.800 117.800 119.919 -2.119 18989 5099 1 7 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.900 0.270 18989 5100 1 7 . 1 1 153 153 GLU C C 153 178.300 178.300 179.108 -0.808 18989 5101 1 7 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.761 -1.061 18989 5102 1 7 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.613 -0.313 18989 5103 1 7 . 1 1 154 154 VAL N N 154 119.500 119.500 118.701 0.799 18989 5104 1 7 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.596 0.404 18989 5105 1 7 . 1 1 154 154 VAL C C 154 177.500 177.500 177.867 -0.367 18989 5106 1 7 . 1 1 154 154 VAL CA C 154 64.700 64.700 67.063 -2.363 18989 5107 1 7 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.527 0.673 18989 5108 1 7 . 1 1 155 155 GLU N N 155 121.300 121.300 119.330 1.970 18989 5109 1 7 . 1 1 155 155 GLU HA H 155 4.180 4.180 3.452 0.728 18989 5110 1 7 . 1 1 155 155 GLU C C 155 177.600 177.600 177.523 0.077 18989 5111 1 7 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.254 -0.254 18989 5112 1 7 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.681 0.019 18989 5113 1 7 . 1 1 156 156 LEU N N 156 120.800 120.800 117.698 3.102 18989 5114 1 7 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.026 0.204 18989 5115 1 7 . 1 1 156 156 LEU C C 156 178.000 178.000 179.121 -1.121 18989 5116 1 7 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.454 -1.254 18989 5117 1 7 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.213 0.087 18989 5118 1 7 . 1 1 157 157 GLU N N 157 119.700 119.700 116.149 3.551 18989 5119 1 7 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.262 -0.132 18989 5120 1 7 . 1 1 157 157 GLU C C 157 177.000 177.000 176.193 0.807 18989 5121 1 7 . 1 1 157 157 GLU CA C 157 57.400 57.400 57.137 0.263 18989 5122 1 7 . 1 1 157 157 GLU CB C 157 29.800 29.800 31.192 -1.392 18989 5123 1 7 . 1 1 158 158 HIS N N 158 117.700 117.700 114.005 3.695 18989 5124 1 7 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.225 0.405 18989 5125 1 7 . 1 1 158 158 HIS C C 158 173.900 173.900 174.657 -0.757 18989 5126 1 7 . 1 1 158 158 HIS CA C 158 56.000 56.000 56.172 -0.172 18989 5127 1 7 . 1 1 158 158 HIS CB C 158 30.000 30.000 29.593 0.407 18989 5128 1 7 . 1 1 159 159 HIS N N 159 125.200 125.200 122.043 3.157 18989 5129 1 7 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.492 -0.052 18989 5130 1 7 . 1 1 159 159 HIS CA C 159 57.300 57.300 55.875 1.425 18989 5131 1 7 . 1 1 159 159 HIS CB C 159 28.800 28.800 29.174 -0.374 18989 5132 1 8 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.429 -0.029 18989 5133 1 8 . 1 1 2 2 PRO CA C 2 62.400 62.400 62.975 -0.575 18989 5134 1 8 . 1 1 2 2 PRO CB C 2 32.800 32.800 30.422 2.378 18989 5135 1 8 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.441 0.039 18989 5136 1 8 . 1 1 3 3 LYS C C 3 176.600 176.600 176.031 0.569 18989 5137 1 8 . 1 1 3 3 LYS CA C 3 55.900 55.900 55.394 0.506 18989 5138 1 8 . 1 1 3 3 LYS CB C 3 34.200 34.200 32.527 1.673 18989 5139 1 8 . 1 1 4 4 SER N N 4 117.800 117.800 119.418 -1.618 18989 5140 1 8 . 1 1 4 4 SER HA H 4 4.220 4.220 4.210 0.010 18989 5141 1 8 . 1 1 4 4 SER C C 4 174.100 174.100 174.288 -0.188 18989 5142 1 8 . 1 1 4 4 SER CA C 4 59.700 59.700 58.740 0.960 18989 5143 1 8 . 1 1 4 4 SER CB C 4 63.700 63.700 63.489 0.211 18989 5144 1 8 . 1 1 5 5 LEU N N 5 124.700 124.700 127.866 -3.166 18989 5145 1 8 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.553 0.247 18989 5146 1 8 . 1 1 5 5 LEU C C 5 175.500 175.500 175.288 0.212 18989 5147 1 8 . 1 1 5 5 LEU CA C 5 54.000 54.000 53.982 0.018 18989 5148 1 8 . 1 1 5 5 LEU CB C 5 43.200 43.200 40.129 3.071 18989 5149 1 8 . 1 1 6 6 THR N N 6 111.200 111.200 112.253 -1.053 18989 5150 1 8 . 1 1 6 6 THR HA H 6 5.620 5.620 5.426 0.194 18989 5151 1 8 . 1 1 6 6 THR C C 6 174.500 174.500 173.835 0.665 18989 5152 1 8 . 1 1 6 6 THR CA C 6 59.700 59.700 59.723 -0.023 18989 5153 1 8 . 1 1 6 6 THR CB C 6 73.000 73.000 71.585 1.415 18989 5154 1 8 . 1 1 7 7 PHE N N 7 120.700 120.700 125.282 -4.582 18989 5155 1 8 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.830 -0.080 18989 5156 1 8 . 1 1 7 7 PHE C C 7 172.100 172.100 173.131 -1.031 18989 5157 1 8 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.784 1.516 18989 5158 1 8 . 1 1 7 7 PHE CB C 7 43.500 43.500 42.681 0.819 18989 5159 1 8 . 1 1 8 8 GLU N N 8 122.100 122.100 121.844 0.256 18989 5160 1 8 . 1 1 8 8 GLU HA H 8 5.380 5.380 5.068 0.312 18989 5161 1 8 . 1 1 8 8 GLU C C 8 172.500 172.500 174.057 -1.557 18989 5162 1 8 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.218 0.282 18989 5163 1 8 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.419 0.081 18989 5164 1 8 . 1 1 9 9 ASP N N 9 117.400 117.400 118.312 -0.912 18989 5165 1 8 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.713 0.107 18989 5166 1 8 . 1 1 9 9 ASP C C 9 173.500 173.500 173.864 -0.364 18989 5167 1 8 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.490 -0.390 18989 5168 1 8 . 1 1 9 9 ASP CB C 9 45.100 45.100 43.426 1.674 18989 5169 1 8 . 1 1 10 10 SER N N 10 113.600 113.600 117.107 -3.507 18989 5170 1 8 . 1 1 10 10 SER HA H 10 5.990 5.990 5.714 0.276 18989 5171 1 8 . 1 1 10 10 SER C C 10 172.600 172.600 173.398 -0.798 18989 5172 1 8 . 1 1 10 10 SER CA C 10 57.300 57.300 55.912 1.388 18989 5173 1 8 . 1 1 10 10 SER CB C 10 68.100 68.100 66.263 1.837 18989 5174 1 8 . 1 1 11 11 ILE N N 11 122.700 122.700 120.964 1.736 18989 5175 1 8 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.364 0.156 18989 5176 1 8 . 1 1 11 11 ILE C C 11 171.300 171.300 173.765 -2.465 18989 5177 1 8 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.551 0.449 18989 5178 1 8 . 1 1 11 11 ILE CB C 11 43.400 43.400 41.884 1.516 18989 5179 1 8 . 1 1 12 12 ASN N N 12 124.600 124.600 126.102 -1.502 18989 5180 1 8 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.803 0.477 18989 5181 1 8 . 1 1 12 12 ASN C C 12 174.700 174.700 174.128 0.572 18989 5182 1 8 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.911 -0.611 18989 5183 1 8 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.242 0.357 18989 5184 1 8 . 1 1 13 13 ILE N N 13 122.900 122.900 124.648 -1.748 18989 5185 1 8 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.313 0.137 18989 5186 1 8 . 1 1 13 13 ILE C C 13 175.300 175.300 175.412 -0.112 18989 5187 1 8 . 1 1 13 13 ILE CA C 13 60.300 60.300 60.188 0.112 18989 5188 1 8 . 1 1 13 13 ILE CB C 13 41.600 41.600 40.241 1.359 18989 5189 1 8 . 1 1 14 14 ALA N N 14 136.600 136.600 130.498 6.102 18989 5190 1 8 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.377 0.323 18989 5191 1 8 . 1 1 14 14 ALA C C 14 175.100 175.100 176.323 -1.223 18989 5192 1 8 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.291 -0.291 18989 5193 1 8 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.688 -1.388 18989 5194 1 8 . 1 1 15 15 ALA N N 15 122.100 122.100 122.463 -0.363 18989 5195 1 8 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.715 0.045 18989 5196 1 8 . 1 1 15 15 ALA CA C 15 50.000 50.000 49.212 0.789 18989 5197 1 8 . 1 1 15 15 ALA CB C 15 21.100 21.100 20.036 1.064 18989 5198 1 8 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.445 0.165 18989 5199 1 8 . 1 1 16 16 PRO C C 16 179.200 179.200 177.305 1.895 18989 5200 1 8 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.798 -0.699 18989 5201 1 8 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.791 0.309 18989 5202 1 8 . 1 1 17 17 ILE N N 17 124.400 124.400 122.421 1.979 18989 5203 1 8 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.737 0.253 18989 5204 1 8 . 1 1 17 17 ILE C C 17 175.800 175.800 176.880 -1.080 18989 5205 1 8 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.204 1.496 18989 5206 1 8 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.188 0.512 18989 5207 1 8 . 1 1 18 18 ASN N N 18 117.200 117.200 117.734 -0.534 18989 5208 1 8 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.284 0.406 18989 5209 1 8 . 1 1 18 18 ASN C C 18 178.700 178.700 177.560 1.140 18989 5210 1 8 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.541 -0.742 18989 5211 1 8 . 1 1 18 18 ASN CB C 18 37.100 37.100 38.044 -0.945 18989 5212 1 8 . 1 1 19 19 GLN N N 19 120.300 120.300 119.078 1.222 18989 5213 1 8 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.104 0.016 18989 5214 1 8 . 1 1 19 19 GLN C C 19 178.500 178.500 178.439 0.061 18989 5215 1 8 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.597 -0.297 18989 5216 1 8 . 1 1 19 19 GLN CB C 19 28.300 28.300 29.012 -0.712 18989 5217 1 8 . 1 1 20 20 VAL N N 20 120.300 120.300 120.187 0.113 18989 5218 1 8 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.718 -0.268 18989 5219 1 8 . 1 1 20 20 VAL C C 20 177.500 177.500 178.141 -0.641 18989 5220 1 8 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.727 -0.527 18989 5221 1 8 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.648 -0.748 18989 5222 1 8 . 1 1 21 21 TYR N N 21 118.800 118.800 120.489 -1.689 18989 5223 1 8 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.084 -0.504 18989 5224 1 8 . 1 1 21 21 TYR C C 21 177.800 177.800 176.702 1.098 18989 5225 1 8 . 1 1 21 21 TYR CA C 21 62.900 62.900 62.006 0.894 18989 5226 1 8 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.236 0.164 18989 5227 1 8 . 1 1 22 22 ALA N N 22 120.400 120.400 121.131 -0.731 18989 5228 1 8 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.942 -0.182 18989 5229 1 8 . 1 1 22 22 ALA C C 22 178.000 178.000 178.589 -0.589 18989 5230 1 8 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.709 -0.009 18989 5231 1 8 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.423 0.077 18989 5232 1 8 . 1 1 23 23 LEU N N 23 116.400 116.400 117.291 -0.891 18989 5233 1 8 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.065 0.165 18989 5234 1 8 . 1 1 23 23 LEU C C 23 177.200 177.200 178.646 -1.446 18989 5235 1 8 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.940 1.060 18989 5236 1 8 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.837 0.562 18989 5237 1 8 . 1 1 24 24 VAL N N 24 128.600 128.600 116.225 12.375 18989 5238 1 8 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.558 -0.198 18989 5239 1 8 . 1 1 24 24 VAL C C 24 175.200 175.200 176.767 -1.567 18989 5240 1 8 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.679 -0.379 18989 5241 1 8 . 1 1 24 24 VAL CB C 24 30.800 30.800 31.749 -0.949 18989 5242 1 8 . 1 1 25 25 SER N N 25 108.500 108.500 116.196 -7.696 18989 5243 1 8 . 1 1 25 25 SER HA H 25 2.520 2.520 4.052 -1.532 18989 5244 1 8 . 1 1 25 25 SER CA C 25 58.200 58.200 58.634 -0.434 18989 5245 1 8 . 1 1 25 25 SER CB C 25 63.600 63.600 61.853 1.746 18989 5246 1 8 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.551 0.359 18989 5247 1 8 . 1 1 26 26 ASP C C 26 175.500 175.500 177.148 -1.648 18989 5248 1 8 . 1 1 26 26 ASP CA C 26 51.200 51.200 54.046 -2.846 18989 5249 1 8 . 1 1 26 26 ASP CB C 26 38.100 38.100 42.340 -4.240 18989 5250 1 8 . 1 1 27 27 ILE N N 27 123.500 123.500 113.405 10.095 18989 5251 1 8 . 1 1 27 27 ILE HA H 27 3.390 3.390 3.903 -0.513 18989 5252 1 8 . 1 1 27 27 ILE C C 27 178.900 178.900 174.329 4.571 18989 5253 1 8 . 1 1 27 27 ILE CA C 27 61.700 61.700 62.571 -0.871 18989 5254 1 8 . 1 1 27 27 ILE CB C 27 36.600 36.600 36.549 0.051 18989 5255 1 8 . 1 1 28 28 THR N N 28 112.500 112.500 111.924 0.576 18989 5256 1 8 . 1 1 28 28 THR HA H 28 4.350 4.350 3.631 0.719 18989 5257 1 8 . 1 1 28 28 THR C C 28 176.500 176.500 175.381 1.119 18989 5258 1 8 . 1 1 28 28 THR CA C 28 64.000 64.000 62.327 1.673 18989 5259 1 8 . 1 1 28 28 THR CB C 28 68.600 68.600 68.915 -0.315 18989 5260 1 8 . 1 1 29 29 ARG N N 29 121.100 121.100 119.681 1.419 18989 5261 1 8 . 1 1 29 29 ARG HA H 29 4.280 4.280 3.476 0.804 18989 5262 1 8 . 1 1 29 29 ARG CA C 29 56.200 56.200 59.177 -2.977 18989 5263 1 8 . 1 1 29 29 ARG CB C 29 30.600 30.600 28.191 2.409 18989 5264 1 8 . 1 1 30 30 THR HA H 30 5.870 5.870 4.277 1.593 18989 5265 1 8 . 1 1 30 30 THR C C 30 174.000 174.000 173.831 0.169 18989 5266 1 8 . 1 1 30 30 THR CA C 30 66.000 66.000 62.396 3.604 18989 5267 1 8 . 1 1 30 30 THR CB C 30 69.400 69.400 68.506 0.894 18989 5268 1 8 . 1 1 31 31 GLY N N 31 106.200 106.200 111.612 -5.412 18989 5269 1 8 . 1 1 31 31 GLY C C 31 175.200 175.200 172.541 2.659 18989 5270 1 8 . 1 1 31 31 GLY CA C 31 46.200 46.200 45.643 0.557 18989 5271 1 8 . 1 1 32 32 GLU N N 32 118.400 118.400 122.377 -3.977 18989 5272 1 8 . 1 1 32 32 GLU HA H 32 3.970 3.970 3.853 0.117 18989 5273 1 8 . 1 1 32 32 GLU C C 32 177.500 177.500 177.464 0.036 18989 5274 1 8 . 1 1 32 32 GLU CA C 32 58.800 58.800 56.993 1.807 18989 5275 1 8 . 1 1 32 32 GLU CB C 32 29.800 29.800 30.119 -0.319 18989 5276 1 8 . 1 1 33 33 TRP N N 33 113.200 113.200 121.630 -8.430 18989 5277 1 8 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.286 0.654 18989 5278 1 8 . 1 1 33 33 TRP C C 33 175.300 175.300 176.081 -0.781 18989 5279 1 8 . 1 1 33 33 TRP CA C 33 56.400 56.400 58.776 -2.376 18989 5280 1 8 . 1 1 33 33 TRP CB C 33 30.600 30.600 28.486 2.114 18989 5281 1 8 . 1 1 34 34 SER N N 34 118.600 118.600 117.255 1.345 18989 5282 1 8 . 1 1 34 34 SER HA H 34 4.930 4.930 4.849 0.081 18989 5283 1 8 . 1 1 34 34 SER CA C 34 54.700 54.700 56.822 -2.122 18989 5284 1 8 . 1 1 34 34 SER CB C 34 63.000 63.000 63.430 -0.430 18989 5285 1 8 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.541 -0.081 18989 5286 1 8 . 1 1 35 35 PRO C C 35 177.100 177.100 176.429 0.671 18989 5287 1 8 . 1 1 35 35 PRO CA C 35 64.500 64.500 62.731 1.769 18989 5288 1 8 . 1 1 35 35 PRO CB C 35 32.300 32.300 30.586 1.714 18989 5289 1 8 . 1 1 36 36 VAL N N 36 113.900 113.900 119.905 -6.005 18989 5290 1 8 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.073 0.027 18989 5291 1 8 . 1 1 36 36 VAL C C 36 174.200 174.200 174.934 -0.734 18989 5292 1 8 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.847 0.053 18989 5293 1 8 . 1 1 36 36 VAL CB C 36 32.500 32.500 33.427 -0.927 18989 5294 1 8 . 1 1 37 37 CYS N N 37 121.000 121.000 114.520 6.480 18989 5295 1 8 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.767 -0.307 18989 5296 1 8 . 1 1 37 37 CYS C C 37 173.600 173.600 174.538 -0.938 18989 5297 1 8 . 1 1 37 37 CYS CA C 37 58.500 58.500 56.599 1.901 18989 5298 1 8 . 1 1 37 37 CYS CB C 37 27.000 27.000 31.687 -4.687 18989 5299 1 8 . 1 1 38 38 GLU N N 38 129.300 129.300 123.368 5.932 18989 5300 1 8 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.090 0.050 18989 5301 1 8 . 1 1 38 38 GLU C C 38 176.500 176.500 176.251 0.249 18989 5302 1 8 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.493 -0.593 18989 5303 1 8 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.235 1.565 18989 5304 1 8 . 1 1 39 39 LYS N N 39 117.100 117.100 117.447 -0.347 18989 5305 1 8 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.348 0.122 18989 5306 1 8 . 1 1 39 39 LYS C C 39 173.600 173.600 174.331 -0.731 18989 5307 1 8 . 1 1 39 39 LYS CA C 39 55.800 55.800 54.767 1.033 18989 5308 1 8 . 1 1 39 39 LYS CB C 39 36.500 36.500 35.077 1.423 18989 5309 1 8 . 1 1 40 40 CYS N N 40 125.100 125.100 119.950 5.150 18989 5310 1 8 . 1 1 40 40 CYS HA H 40 5.410 5.410 4.573 0.837 18989 5311 1 8 . 1 1 40 40 CYS C C 40 173.000 173.000 173.006 -0.006 18989 5312 1 8 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.692 -0.592 18989 5313 1 8 . 1 1 40 40 CYS CB C 40 30.100 30.100 29.636 0.464 18989 5314 1 8 . 1 1 41 41 TRP N N 41 124.300 124.300 126.983 -2.683 18989 5315 1 8 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.430 0.400 18989 5316 1 8 . 1 1 41 41 TRP C C 41 174.100 174.100 175.080 -0.980 18989 5317 1 8 . 1 1 41 41 TRP CA C 41 56.300 56.300 55.941 0.359 18989 5318 1 8 . 1 1 41 41 TRP CB C 41 32.400 32.400 30.666 1.734 18989 5319 1 8 . 1 1 42 42 TRP N N 42 123.700 123.700 125.185 -1.485 18989 5320 1 8 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.887 -0.057 18989 5321 1 8 . 1 1 42 42 TRP C C 42 178.200 178.200 176.691 1.509 18989 5322 1 8 . 1 1 42 42 TRP CA C 42 57.000 57.000 55.978 1.022 18989 5323 1 8 . 1 1 42 42 TRP CB C 42 31.600 31.600 30.059 1.541 18989 5324 1 8 . 1 1 43 43 ASP N N 43 124.400 124.400 124.702 -0.302 18989 5325 1 8 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.363 0.317 18989 5326 1 8 . 1 1 43 43 ASP C C 43 176.300 176.300 177.890 -1.590 18989 5327 1 8 . 1 1 43 43 ASP CA C 43 56.300 56.300 57.949 -1.649 18989 5328 1 8 . 1 1 43 43 ASP CB C 43 40.300 40.300 41.305 -1.005 18989 5329 1 8 . 1 1 44 44 GLU N N 44 119.400 119.400 118.040 1.360 18989 5330 1 8 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.028 0.242 18989 5331 1 8 . 1 1 44 44 GLU C C 44 176.500 176.500 178.471 -1.971 18989 5332 1 8 . 1 1 44 44 GLU CA C 44 57.600 57.600 59.450 -1.850 18989 5333 1 8 . 1 1 44 44 GLU CB C 44 30.200 30.200 29.342 0.858 18989 5334 1 8 . 1 1 45 45 ASP N N 45 118.300 118.300 118.331 -0.031 18989 5335 1 8 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.548 -0.068 18989 5336 1 8 . 1 1 45 45 ASP C C 45 175.900 175.900 178.456 -2.556 18989 5337 1 8 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.380 -0.380 18989 5338 1 8 . 1 1 45 45 ASP CB C 45 40.200 40.200 41.276 -1.076 18989 5339 1 8 . 1 1 46 46 GLU N N 46 118.200 118.200 117.219 0.981 18989 5340 1 8 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.270 0.190 18989 5341 1 8 . 1 1 46 46 GLU C C 46 175.200 175.200 177.372 -2.172 18989 5342 1 8 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.902 -0.302 18989 5343 1 8 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.332 0.468 18989 5344 1 8 . 1 1 47 47 GLY N N 47 106.400 106.400 108.527 -2.127 18989 5345 1 8 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.375 -0.775 18989 5346 1 8 . 1 1 48 48 PRO HA H 48 4.590 4.590 5.082 -0.492 18989 5347 1 8 . 1 1 48 48 PRO C C 48 173.400 173.400 176.016 -2.616 18989 5348 1 8 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.710 0.390 18989 5349 1 8 . 1 1 48 48 PRO CB C 48 29.100 29.100 31.498 -2.398 18989 5350 1 8 . 1 1 49 49 VAL N N 49 121.900 121.900 117.980 3.920 18989 5351 1 8 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.630 -0.020 18989 5352 1 8 . 1 1 49 49 VAL C C 49 175.100 175.100 175.318 -0.218 18989 5353 1 8 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.293 1.007 18989 5354 1 8 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.444 1.056 18989 5355 1 8 . 1 1 50 50 VAL N N 50 121.700 121.700 122.376 -0.676 18989 5356 1 8 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.883 -0.583 18989 5357 1 8 . 1 1 50 50 VAL C C 50 177.400 177.400 176.993 0.407 18989 5358 1 8 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.791 2.409 18989 5359 1 8 . 1 1 50 50 VAL CB C 50 31.300 31.300 30.435 0.865 18989 5360 1 8 . 1 1 51 51 GLY N N 51 115.800 115.800 115.966 -0.166 18989 5361 1 8 . 1 1 51 51 GLY C C 51 174.200 174.200 173.778 0.422 18989 5362 1 8 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.881 -0.281 18989 5363 1 8 . 1 1 52 52 ALA N N 52 123.000 123.000 123.497 -0.497 18989 5364 1 8 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.532 0.018 18989 5365 1 8 . 1 1 52 52 ALA C C 52 177.300 177.300 175.181 2.119 18989 5366 1 8 . 1 1 52 52 ALA CA C 52 52.800 52.800 51.194 1.606 18989 5367 1 8 . 1 1 52 52 ALA CB C 52 23.100 23.100 20.256 2.844 18989 5368 1 8 . 1 1 53 53 HIS N N 53 115.900 115.900 114.579 1.321 18989 5369 1 8 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.221 0.799 18989 5370 1 8 . 1 1 53 53 HIS C C 53 174.200 174.200 173.873 0.327 18989 5371 1 8 . 1 1 53 53 HIS CA C 53 55.200 55.200 54.659 0.541 18989 5372 1 8 . 1 1 53 53 HIS CB C 53 32.100 32.100 31.532 0.568 18989 5373 1 8 . 1 1 54 54 PHE N N 54 115.800 115.800 121.517 -5.717 18989 5374 1 8 . 1 1 54 54 PHE HA H 54 5.150 5.150 5.131 0.019 18989 5375 1 8 . 1 1 54 54 PHE C C 54 172.600 172.600 174.313 -1.713 18989 5376 1 8 . 1 1 54 54 PHE CA C 54 55.500 55.500 55.847 -0.347 18989 5377 1 8 . 1 1 54 54 PHE CB C 54 41.700 41.700 39.607 2.093 18989 5378 1 8 . 1 1 55 55 THR N N 55 118.300 118.300 120.769 -2.469 18989 5379 1 8 . 1 1 55 55 THR HA H 55 4.770 4.770 4.749 0.021 18989 5380 1 8 . 1 1 55 55 THR C C 55 171.800 171.800 173.748 -1.948 18989 5381 1 8 . 1 1 55 55 THR CA C 55 61.000 61.000 61.693 -0.693 18989 5382 1 8 . 1 1 55 55 THR CB C 55 70.200 70.200 70.178 0.022 18989 5383 1 8 . 1 1 56 56 GLY N N 56 110.500 110.500 112.993 -2.493 18989 5384 1 8 . 1 1 56 56 GLY C C 56 171.100 171.100 172.091 -0.991 18989 5385 1 8 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.144 0.156 18989 5386 1 8 . 1 1 57 57 ARG N N 57 123.800 123.800 126.332 -2.532 18989 5387 1 8 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.314 0.346 18989 5388 1 8 . 1 1 57 57 ARG C C 57 172.900 172.900 174.913 -2.013 18989 5389 1 8 . 1 1 57 57 ARG CA C 57 55.300 55.300 55.596 -0.296 18989 5390 1 8 . 1 1 57 57 ARG CB C 57 32.500 32.500 30.785 1.716 18989 5391 1 8 . 1 1 58 58 ASN N N 58 127.200 127.200 124.011 3.189 18989 5392 1 8 . 1 1 58 58 ASN HA H 58 5.060 5.060 4.764 0.296 18989 5393 1 8 . 1 1 58 58 ASN C C 58 173.100 173.100 173.128 -0.028 18989 5394 1 8 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.190 -1.290 18989 5395 1 8 . 1 1 58 58 ASN CB C 58 38.800 38.800 40.706 -1.906 18989 5396 1 8 . 1 1 59 59 VAL N N 59 121.400 121.400 127.592 -6.192 18989 5397 1 8 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.746 -0.066 18989 5398 1 8 . 1 1 59 59 VAL C C 59 175.100 175.100 174.050 1.050 18989 5399 1 8 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.102 2.298 18989 5400 1 8 . 1 1 59 59 VAL CB C 59 35.800 35.800 33.525 2.276 18989 5401 1 8 . 1 1 60 60 THR N N 60 118.000 118.000 119.910 -1.910 18989 5402 1 8 . 1 1 60 60 THR HA H 60 5.000 5.000 4.996 0.004 18989 5403 1 8 . 1 1 60 60 THR CA C 60 58.900 58.900 58.719 0.181 18989 5404 1 8 . 1 1 60 60 THR CB C 60 70.200 70.200 69.469 0.731 18989 5405 1 8 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.482 -0.202 18989 5406 1 8 . 1 1 61 61 PRO C C 61 177.700 177.700 176.461 1.239 18989 5407 1 8 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.040 1.460 18989 5408 1 8 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.295 0.505 18989 5409 1 8 . 1 1 62 62 GLU N N 62 111.700 111.700 116.478 -4.778 18989 5410 1 8 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.410 -0.130 18989 5411 1 8 . 1 1 62 62 GLU C C 62 176.500 176.500 176.579 -0.079 18989 5412 1 8 . 1 1 62 62 GLU CA C 62 57.600 57.600 55.861 1.739 18989 5413 1 8 . 1 1 62 62 GLU CB C 62 31.000 31.000 31.180 -0.180 18989 5414 1 8 . 1 1 63 63 ARG N N 63 118.000 118.000 120.758 -2.758 18989 5415 1 8 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.760 -0.070 18989 5416 1 8 . 1 1 63 63 ARG C C 63 174.000 174.000 174.285 -0.285 18989 5417 1 8 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.040 1.660 18989 5418 1 8 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.953 -0.253 18989 5419 1 8 . 1 1 64 64 THR N N 64 120.700 120.700 116.630 4.070 18989 5420 1 8 . 1 1 64 64 THR HA H 64 5.780 5.780 5.033 0.747 18989 5421 1 8 . 1 1 64 64 THR C C 64 174.000 174.000 173.081 0.919 18989 5422 1 8 . 1 1 64 64 THR CA C 64 61.600 61.600 61.656 -0.056 18989 5423 1 8 . 1 1 64 64 THR CB C 64 71.700 71.700 70.525 1.175 18989 5424 1 8 . 1 1 65 65 TRP N N 65 128.000 128.000 129.283 -1.283 18989 5425 1 8 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.909 0.261 18989 5426 1 8 . 1 1 65 65 TRP C C 65 172.800 172.800 173.563 -0.763 18989 5427 1 8 . 1 1 65 65 TRP CA C 65 57.300 57.300 56.886 0.413 18989 5428 1 8 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.594 -0.694 18989 5429 1 8 . 1 1 66 66 GLU N N 66 120.800 120.800 120.262 0.538 18989 5430 1 8 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.658 0.932 18989 5431 1 8 . 1 1 66 66 GLU C C 66 177.300 177.300 175.057 2.243 18989 5432 1 8 . 1 1 66 66 GLU CA C 66 54.200 54.200 54.649 -0.449 18989 5433 1 8 . 1 1 66 66 GLU CB C 66 32.700 32.700 31.833 0.867 18989 5434 1 8 . 1 1 67 67 THR N N 67 113.700 113.700 115.324 -1.624 18989 5435 1 8 . 1 1 67 67 THR HA H 67 4.750 4.750 4.647 0.103 18989 5436 1 8 . 1 1 67 67 THR C C 67 173.300 173.300 174.372 -1.072 18989 5437 1 8 . 1 1 67 67 THR CA C 67 59.500 59.500 61.005 -1.505 18989 5438 1 8 . 1 1 67 67 THR CB C 67 71.500 71.500 70.793 0.707 18989 5439 1 8 . 1 1 68 68 ARG N N 68 125.300 125.300 128.336 -3.036 18989 5440 1 8 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.273 0.587 18989 5441 1 8 . 1 1 68 68 ARG C C 68 175.700 175.700 174.941 0.759 18989 5442 1 8 . 1 1 68 68 ARG CA C 68 55.000 55.000 56.116 -1.116 18989 5443 1 8 . 1 1 68 68 ARG CB C 68 31.700 31.700 30.444 1.256 18989 5444 1 8 . 1 1 69 69 SER N N 69 122.000 122.000 122.779 -0.779 18989 5445 1 8 . 1 1 69 69 SER HA H 69 5.570 5.570 4.746 0.824 18989 5446 1 8 . 1 1 69 69 SER C C 69 172.200 172.200 172.586 -0.386 18989 5447 1 8 . 1 1 69 69 SER CA C 69 58.000 58.000 57.205 0.795 18989 5448 1 8 . 1 1 69 69 SER CB C 69 66.700 66.700 63.515 3.185 18989 5449 1 8 . 1 1 70 70 GLU N N 70 121.900 121.900 129.568 -7.668 18989 5450 1 8 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.838 0.362 18989 5451 1 8 . 1 1 70 70 GLU C C 70 176.000 176.000 175.776 0.224 18989 5452 1 8 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.383 -0.783 18989 5453 1 8 . 1 1 70 70 GLU CB C 70 34.700 34.700 31.728 2.972 18989 5454 1 8 . 1 1 71 71 VAL N N 71 126.600 126.600 127.944 -1.344 18989 5455 1 8 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.128 0.122 18989 5456 1 8 . 1 1 71 71 VAL C C 71 177.600 177.600 176.442 1.158 18989 5457 1 8 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.718 1.081 18989 5458 1 8 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.480 0.720 18989 5459 1 8 . 1 1 72 72 ILE N N 72 123.200 123.200 125.990 -2.790 18989 5460 1 8 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.386 0.344 18989 5461 1 8 . 1 1 72 72 ILE C C 72 175.200 175.200 175.462 -0.262 18989 5462 1 8 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.007 -0.007 18989 5463 1 8 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.779 0.821 18989 5464 1 8 . 1 1 73 73 VAL N N 73 121.700 121.700 119.434 2.266 18989 5465 1 8 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.400 -0.200 18989 5466 1 8 . 1 1 73 73 VAL C C 73 172.000 172.000 173.541 -1.541 18989 5467 1 8 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.202 0.898 18989 5468 1 8 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.322 -0.622 18989 5469 1 8 . 1 1 74 74 ALA N N 74 131.100 131.100 130.354 0.746 18989 5470 1 8 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.052 0.268 18989 5471 1 8 . 1 1 74 74 ALA C C 74 174.900 174.900 176.117 -1.217 18989 5472 1 8 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.558 1.142 18989 5473 1 8 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.580 -2.280 18989 5474 1 8 . 1 1 75 75 GLU N N 75 126.100 126.100 124.615 1.485 18989 5475 1 8 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.931 0.039 18989 5476 1 8 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.784 -0.684 18989 5477 1 8 . 1 1 75 75 GLU CB C 75 31.300 31.300 30.926 0.374 18989 5478 1 8 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.296 -1.676 18989 5479 1 8 . 1 1 76 76 PRO CA C 76 63.900 63.900 63.625 0.275 18989 5480 1 8 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.485 0.415 18989 5481 1 8 . 1 1 77 77 ASN HA H 77 3.760 3.760 3.212 0.548 18989 5482 1 8 . 1 1 77 77 ASN C C 77 172.700 172.700 174.070 -1.370 18989 5483 1 8 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.823 1.277 18989 5484 1 8 . 1 1 77 77 ASN CB C 77 36.900 36.900 37.397 -0.497 18989 5485 1 8 . 1 1 78 78 ARG N N 78 115.300 115.300 115.099 0.201 18989 5486 1 8 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.614 0.286 18989 5487 1 8 . 1 1 78 78 ARG C C 78 176.000 176.000 174.804 1.196 18989 5488 1 8 . 1 1 78 78 ARG CA C 78 58.300 58.300 57.137 1.163 18989 5489 1 8 . 1 1 78 78 ARG CB C 78 34.000 34.000 33.487 0.513 18989 5490 1 8 . 1 1 79 79 CYS N N 79 117.700 117.700 117.484 0.216 18989 5491 1 8 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.294 0.376 18989 5492 1 8 . 1 1 79 79 CYS C C 79 172.200 172.200 172.936 -0.736 18989 5493 1 8 . 1 1 79 79 CYS CA C 79 58.200 58.200 59.208 -1.008 18989 5494 1 8 . 1 1 79 79 CYS CB C 79 29.500 29.500 32.047 -2.546 18989 5495 1 8 . 1 1 80 80 PHE N N 80 129.500 129.500 125.050 4.450 18989 5496 1 8 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.128 0.392 18989 5497 1 8 . 1 1 80 80 PHE C C 80 173.400 173.400 174.056 -0.656 18989 5498 1 8 . 1 1 80 80 PHE CA C 80 57.900 57.900 57.040 0.860 18989 5499 1 8 . 1 1 80 80 PHE CB C 80 43.800 43.800 42.868 0.932 18989 5500 1 8 . 1 1 81 81 GLY N N 81 114.500 114.500 114.175 0.325 18989 5501 1 8 . 1 1 81 81 GLY C C 81 171.900 171.900 171.974 -0.074 18989 5502 1 8 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.137 2.463 18989 5503 1 8 . 1 1 82 82 TRP N N 82 121.700 121.700 122.136 -0.436 18989 5504 1 8 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.562 0.228 18989 5505 1 8 . 1 1 82 82 TRP C C 82 171.500 171.500 173.938 -2.438 18989 5506 1 8 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.508 2.893 18989 5507 1 8 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.317 1.583 18989 5508 1 8 . 1 1 83 83 SER N N 83 113.600 113.600 115.383 -1.783 18989 5509 1 8 . 1 1 83 83 SER HA H 83 5.680 5.680 5.097 0.583 18989 5510 1 8 . 1 1 83 83 SER C C 83 174.500 174.500 173.895 0.605 18989 5511 1 8 . 1 1 83 83 SER CA C 83 54.800 54.800 57.394 -2.594 18989 5512 1 8 . 1 1 83 83 SER CB C 83 66.700 66.700 65.413 1.287 18989 5513 1 8 . 1 1 84 84 VAL N N 84 125.400 125.400 127.819 -2.419 18989 5514 1 8 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.326 0.524 18989 5515 1 8 . 1 1 84 84 VAL C C 84 176.500 176.500 176.471 0.029 18989 5516 1 8 . 1 1 84 84 VAL CA C 84 61.400 61.400 63.472 -2.072 18989 5517 1 8 . 1 1 84 84 VAL CB C 84 34.600 34.600 31.776 2.824 18989 5518 1 8 . 1 1 85 85 THR N N 85 120.300 120.300 120.576 -0.276 18989 5519 1 8 . 1 1 85 85 THR HA H 85 3.720 3.720 3.989 -0.269 18989 5520 1 8 . 1 1 85 85 THR C C 85 173.500 173.500 173.844 -0.344 18989 5521 1 8 . 1 1 85 85 THR CA C 85 62.900 62.900 63.836 -0.936 18989 5522 1 8 . 1 1 85 85 THR CB C 85 66.600 66.600 68.589 -1.989 18989 5523 1 8 . 1 1 86 86 ASP N N 86 119.000 119.000 123.506 -4.506 18989 5524 1 8 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.324 -0.104 18989 5525 1 8 . 1 1 86 86 ASP C C 86 177.100 177.100 176.505 0.595 18989 5526 1 8 . 1 1 86 86 ASP CA C 86 54.700 54.700 55.333 -0.633 18989 5527 1 8 . 1 1 86 86 ASP CB C 86 39.700 39.700 39.132 0.568 18989 5528 1 8 . 1 1 87 87 GLY N N 87 103.400 103.400 111.997 -8.597 18989 5529 1 8 . 1 1 87 87 GLY C C 87 175.000 175.000 174.277 0.723 18989 5530 1 8 . 1 1 87 87 GLY CA C 87 45.600 45.600 46.045 -0.445 18989 5531 1 8 . 1 1 88 88 ASN N N 88 122.300 122.300 117.880 4.420 18989 5532 1 8 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.349 -0.239 18989 5533 1 8 . 1 1 88 88 ASN C C 88 174.500 174.500 174.165 0.335 18989 5534 1 8 . 1 1 88 88 ASN CA C 88 55.600 55.600 55.049 0.551 18989 5535 1 8 . 1 1 88 88 ASN CB C 88 38.200 38.200 39.960 -1.760 18989 5536 1 8 . 1 1 89 89 VAL N N 89 115.700 115.700 118.936 -3.236 18989 5537 1 8 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.081 0.749 18989 5538 1 8 . 1 1 89 89 VAL C C 89 174.700 174.700 174.690 0.010 18989 5539 1 8 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.775 -2.175 18989 5540 1 8 . 1 1 89 89 VAL CB C 89 37.000 37.000 33.358 3.642 18989 5541 1 8 . 1 1 90 90 LYS N N 90 123.600 123.600 124.482 -0.882 18989 5542 1 8 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.883 0.127 18989 5543 1 8 . 1 1 90 90 LYS C C 90 174.100 174.100 174.984 -0.884 18989 5544 1 8 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.354 -0.454 18989 5545 1 8 . 1 1 90 90 LYS CB C 90 36.300 36.300 34.698 1.602 18989 5546 1 8 . 1 1 91 91 TRP N N 91 124.600 124.600 126.559 -1.959 18989 5547 1 8 . 1 1 91 91 TRP HA H 91 5.100 5.100 5.306 -0.206 18989 5548 1 8 . 1 1 91 91 TRP C C 91 174.600 174.600 175.826 -1.226 18989 5549 1 8 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.514 -0.614 18989 5550 1 8 . 1 1 91 91 TRP CB C 91 30.800 30.800 30.684 0.116 18989 5551 1 8 . 1 1 92 92 ILE N N 92 118.000 118.000 124.519 -6.519 18989 5552 1 8 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.217 0.343 18989 5553 1 8 . 1 1 92 92 ILE C C 92 176.300 176.300 174.558 1.742 18989 5554 1 8 . 1 1 92 92 ILE CA C 92 60.800 60.800 60.458 0.342 18989 5555 1 8 . 1 1 92 92 ILE CB C 92 42.100 42.100 39.068 3.032 18989 5556 1 8 . 1 1 93 93 TYR N N 93 127.700 127.700 128.931 -1.231 18989 5557 1 8 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.295 0.555 18989 5558 1 8 . 1 1 93 93 TYR C C 93 175.300 175.300 175.758 -0.458 18989 5559 1 8 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.566 0.534 18989 5560 1 8 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.737 2.063 18989 5561 1 8 . 1 1 94 94 SER N N 94 117.900 117.900 120.576 -2.676 18989 5562 1 8 . 1 1 94 94 SER HA H 94 5.510 5.510 4.811 0.699 18989 5563 1 8 . 1 1 94 94 SER C C 94 172.700 172.700 173.568 -0.868 18989 5564 1 8 . 1 1 94 94 SER CA C 94 57.300 57.300 58.145 -0.845 18989 5565 1 8 . 1 1 94 94 SER CB C 94 65.600 65.600 63.988 1.612 18989 5566 1 8 . 1 1 95 95 MET N N 95 119.600 119.600 124.108 -4.508 18989 5567 1 8 . 1 1 95 95 MET HA H 95 5.840 5.840 5.166 0.674 18989 5568 1 8 . 1 1 95 95 MET C C 95 173.800 173.800 176.193 -2.393 18989 5569 1 8 . 1 1 95 95 MET CA C 95 54.200 54.200 53.760 0.440 18989 5570 1 8 . 1 1 95 95 MET CB C 95 37.400 37.400 35.763 1.637 18989 5571 1 8 . 1 1 96 96 GLU N N 96 119.100 119.100 122.294 -3.194 18989 5572 1 8 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.894 0.076 18989 5573 1 8 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.113 -0.213 18989 5574 1 8 . 1 1 96 96 GLU CB C 96 33.000 33.000 30.514 2.486 18989 5575 1 8 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.386 0.434 18989 5576 1 8 . 1 1 97 97 PRO C C 97 176.300 176.300 176.367 -0.067 18989 5577 1 8 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.916 0.184 18989 5578 1 8 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.417 1.283 18989 5579 1 8 . 1 1 98 98 LEU N N 98 122.900 122.900 126.604 -3.704 18989 5580 1 8 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.454 0.077 18989 5581 1 8 . 1 1 98 98 LEU C C 98 176.200 176.200 177.303 -1.103 18989 5582 1 8 . 1 1 98 98 LEU CA C 98 54.200 54.200 53.894 0.306 18989 5583 1 8 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.798 1.302 18989 5584 1 8 . 1 1 99 99 GLU N N 99 124.700 124.700 119.362 5.338 18989 5585 1 8 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.255 -0.395 18989 5586 1 8 . 1 1 99 99 GLU C C 99 176.900 176.900 176.407 0.493 18989 5587 1 8 . 1 1 99 99 GLU CA C 99 59.500 59.500 57.693 1.807 18989 5588 1 8 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.708 -1.708 18989 5589 1 8 . 1 1 100 100 GLU N N 100 118.200 118.200 116.440 1.760 18989 5590 1 8 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.439 -0.009 18989 5591 1 8 . 1 1 100 100 GLU C C 100 176.200 176.200 175.950 0.250 18989 5592 1 8 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.309 0.091 18989 5593 1 8 . 1 1 100 100 GLU CB C 100 29.900 29.900 31.256 -1.356 18989 5594 1 8 . 1 1 101 101 GLY N N 101 110.100 110.100 107.671 2.429 18989 5595 1 8 . 1 1 101 101 GLY C C 101 174.100 174.100 172.673 1.427 18989 5596 1 8 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.508 -0.508 18989 5597 1 8 . 1 1 102 102 THR N N 102 120.200 120.200 116.618 3.582 18989 5598 1 8 . 1 1 102 102 THR HA H 102 4.850 4.850 5.152 -0.302 18989 5599 1 8 . 1 1 102 102 THR C C 102 172.700 172.700 173.836 -1.136 18989 5600 1 8 . 1 1 102 102 THR CA C 102 63.700 63.700 62.329 1.371 18989 5601 1 8 . 1 1 102 102 THR CB C 102 73.600 73.600 72.501 1.099 18989 5602 1 8 . 1 1 103 103 VAL N N 103 125.600 125.600 127.235 -1.635 18989 5603 1 8 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.763 0.147 18989 5604 1 8 . 1 1 103 103 VAL C C 103 175.000 175.000 175.084 -0.084 18989 5605 1 8 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.382 -0.082 18989 5606 1 8 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.469 1.231 18989 5607 1 8 . 1 1 104 104 LEU N N 104 133.900 133.900 130.984 2.916 18989 5608 1 8 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.699 0.441 18989 5609 1 8 . 1 1 104 104 LEU C C 104 173.800 173.800 175.393 -1.593 18989 5610 1 8 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.289 -0.989 18989 5611 1 8 . 1 1 104 104 LEU CB C 104 46.100 46.100 43.921 2.179 18989 5612 1 8 . 1 1 105 105 THR N N 105 124.400 124.400 122.414 1.986 18989 5613 1 8 . 1 1 105 105 THR HA H 105 5.210 5.210 4.944 0.266 18989 5614 1 8 . 1 1 105 105 THR C C 105 173.500 173.500 173.005 0.495 18989 5615 1 8 . 1 1 105 105 THR CA C 105 61.500 61.500 61.528 -0.028 18989 5616 1 8 . 1 1 105 105 THR CB C 105 71.100 71.100 69.807 1.293 18989 5617 1 8 . 1 1 106 106 GLU N N 106 126.900 126.900 128.375 -1.475 18989 5618 1 8 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.009 1.351 18989 5619 1 8 . 1 1 106 106 GLU C C 106 173.400 173.400 174.873 -1.473 18989 5620 1 8 . 1 1 106 106 GLU CA C 106 54.400 54.400 55.123 -0.723 18989 5621 1 8 . 1 1 106 106 GLU CB C 106 32.000 32.000 31.073 0.927 18989 5622 1 8 . 1 1 107 107 SER N N 107 120.800 120.800 122.466 -1.666 18989 5623 1 8 . 1 1 107 107 SER HA H 107 5.470 5.470 5.195 0.275 18989 5624 1 8 . 1 1 107 107 SER C C 107 171.600 171.600 172.680 -1.080 18989 5625 1 8 . 1 1 107 107 SER CA C 107 56.000 56.000 57.342 -1.341 18989 5626 1 8 . 1 1 107 107 SER CB C 107 66.700 66.700 66.464 0.236 18989 5627 1 8 . 1 1 108 108 TRP N N 108 124.600 124.600 124.427 0.173 18989 5628 1 8 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.894 -0.214 18989 5629 1 8 . 1 1 108 108 TRP C C 108 175.000 175.000 173.742 1.258 18989 5630 1 8 . 1 1 108 108 TRP CA C 108 55.900 55.900 56.213 -0.313 18989 5631 1 8 . 1 1 108 108 TRP CB C 108 33.600 33.600 32.359 1.241 18989 5632 1 8 . 1 1 109 109 GLU N N 109 127.200 127.200 128.255 -1.055 18989 5633 1 8 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.267 0.233 18989 5634 1 8 . 1 1 109 109 GLU C C 109 172.300 172.300 174.477 -2.177 18989 5635 1 8 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.700 -0.600 18989 5636 1 8 . 1 1 109 109 GLU CB C 109 32.900 32.900 30.785 2.115 18989 5637 1 8 . 1 1 110 110 PHE N N 110 129.400 129.400 127.852 1.548 18989 5638 1 8 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.757 -0.067 18989 5639 1 8 . 1 1 110 110 PHE C C 110 177.100 177.100 174.813 2.287 18989 5640 1 8 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.899 -2.899 18989 5641 1 8 . 1 1 110 110 PHE CB C 110 38.500 38.500 40.432 -1.933 18989 5642 1 8 . 1 1 111 111 THR N N 111 117.800 117.800 124.530 -6.730 18989 5643 1 8 . 1 1 111 111 THR HA H 111 4.510 4.510 4.446 0.064 18989 5644 1 8 . 1 1 111 111 THR CA C 111 61.800 61.800 60.934 0.865 18989 5645 1 8 . 1 1 111 111 THR CB C 111 66.100 66.100 69.066 -2.966 18989 5646 1 8 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.039 -0.049 18989 5647 1 8 . 1 1 113 113 LYS C C 113 179.200 179.200 178.709 0.491 18989 5648 1 8 . 1 1 114 114 GLY N N 114 110.100 110.100 106.511 3.589 18989 5649 1 8 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.814 0.286 18989 5650 1 8 . 1 1 115 115 GLN N N 115 121.100 121.100 121.653 -0.553 18989 5651 1 8 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.352 -0.342 18989 5652 1 8 . 1 1 115 115 GLN C C 115 178.000 178.000 178.532 -0.532 18989 5653 1 8 . 1 1 115 115 GLN CA C 115 59.900 59.900 59.134 0.766 18989 5654 1 8 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.547 0.853 18989 5655 1 8 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.162 -0.022 18989 5656 1 8 . 1 1 116 116 ARG C C 116 177.900 177.900 178.834 -0.934 18989 5657 1 8 . 1 1 116 116 ARG CA C 116 59.500 59.500 58.494 1.006 18989 5658 1 8 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.500 0.499 18989 5659 1 8 . 1 1 117 117 PHE N N 117 120.800 120.800 121.354 -0.554 18989 5660 1 8 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.120 0.350 18989 5661 1 8 . 1 1 117 117 PHE C C 117 178.100 178.100 177.414 0.686 18989 5662 1 8 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.854 -0.654 18989 5663 1 8 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.775 0.225 18989 5664 1 8 . 1 1 118 118 PHE N N 118 119.600 119.600 116.580 3.020 18989 5665 1 8 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.369 -0.139 18989 5666 1 8 . 1 1 118 118 PHE C C 118 178.500 178.500 178.049 0.451 18989 5667 1 8 . 1 1 118 118 PHE CA C 118 62.300 62.300 61.737 0.562 18989 5668 1 8 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.365 0.835 18989 5669 1 8 . 1 1 119 119 HIS N N 119 120.900 120.900 119.810 1.090 18989 5670 1 8 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.468 0.152 18989 5671 1 8 . 1 1 119 119 HIS C C 119 178.500 178.500 177.409 1.091 18989 5672 1 8 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.999 -0.099 18989 5673 1 8 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.345 -0.645 18989 5674 1 8 . 1 1 120 120 ASP N N 120 120.400 120.400 119.565 0.835 18989 5675 1 8 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.477 -0.147 18989 5676 1 8 . 1 1 120 120 ASP C C 120 177.500 177.500 177.768 -0.268 18989 5677 1 8 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.481 0.719 18989 5678 1 8 . 1 1 120 120 ASP CB C 120 40.500 40.500 41.401 -0.901 18989 5679 1 8 . 1 1 121 121 LYS N N 121 118.100 118.100 118.395 -0.295 18989 5680 1 8 . 1 1 121 121 LYS HA H 121 3.810 3.810 4.014 -0.204 18989 5681 1 8 . 1 1 121 121 LYS C C 121 178.200 178.200 178.829 -0.629 18989 5682 1 8 . 1 1 121 121 LYS CA C 121 58.100 58.100 58.355 -0.255 18989 5683 1 8 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.572 0.628 18989 5684 1 8 . 1 1 122 122 PHE N N 122 112.800 112.800 118.064 -5.264 18989 5685 1 8 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.432 0.248 18989 5686 1 8 . 1 1 122 122 PHE C C 122 177.600 177.600 176.736 0.864 18989 5687 1 8 . 1 1 122 122 PHE CA C 122 58.100 58.100 58.765 -0.665 18989 5688 1 8 . 1 1 122 122 PHE CB C 122 40.000 40.000 39.644 0.356 18989 5689 1 8 . 1 1 123 123 GLY N N 123 112.200 112.200 108.533 3.667 18989 5690 1 8 . 1 1 123 123 GLY CA C 123 47.300 47.300 47.036 0.264 18989 5691 1 8 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.414 0.166 18989 5692 1 8 . 1 1 124 124 ASP C C 124 177.700 177.700 177.990 -0.290 18989 5693 1 8 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.349 0.451 18989 5694 1 8 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.243 -0.144 18989 5695 1 8 . 1 1 125 125 LYS N N 125 118.400 118.400 119.110 -0.710 18989 5696 1 8 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.247 0.423 18989 5697 1 8 . 1 1 125 125 LYS C C 125 177.100 177.100 178.245 -1.145 18989 5698 1 8 . 1 1 125 125 LYS CA C 125 56.000 56.000 57.595 -1.595 18989 5699 1 8 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.132 0.168 18989 5700 1 8 . 1 1 126 126 SER N N 126 116.600 116.600 116.503 0.097 18989 5701 1 8 . 1 1 126 126 SER HA H 126 3.830 3.830 4.262 -0.432 18989 5702 1 8 . 1 1 126 126 SER C C 126 175.700 175.700 176.033 -0.333 18989 5703 1 8 . 1 1 126 126 SER CA C 126 62.700 62.700 61.120 1.581 18989 5704 1 8 . 1 1 126 126 SER CB C 126 63.000 63.000 62.698 0.302 18989 5705 1 8 . 1 1 127 127 ILE N N 127 122.300 122.300 119.417 2.883 18989 5706 1 8 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.820 -0.010 18989 5707 1 8 . 1 1 127 127 ILE C C 127 178.500 178.500 177.831 0.669 18989 5708 1 8 . 1 1 127 127 ILE CA C 127 65.000 65.000 63.819 1.181 18989 5709 1 8 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.065 -0.265 18989 5710 1 8 . 1 1 128 128 GLU N N 128 120.500 120.500 119.031 1.469 18989 5711 1 8 . 1 1 128 128 GLU HA H 128 4.100 4.100 4.034 0.066 18989 5712 1 8 . 1 1 128 128 GLU C C 128 179.400 179.400 178.653 0.747 18989 5713 1 8 . 1 1 128 128 GLU CA C 128 59.300 59.300 58.794 0.506 18989 5714 1 8 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.066 0.635 18989 5715 1 8 . 1 1 129 129 GLU N N 129 118.800 118.800 121.538 -2.738 18989 5716 1 8 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.925 -0.015 18989 5717 1 8 . 1 1 129 129 GLU C C 129 179.900 179.900 178.289 1.611 18989 5718 1 8 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.592 0.409 18989 5719 1 8 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.050 0.150 18989 5720 1 8 . 1 1 130 130 ILE N N 130 122.700 122.700 119.254 3.446 18989 5721 1 8 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.545 -0.065 18989 5722 1 8 . 1 1 130 130 ILE C C 130 177.600 177.600 177.412 0.188 18989 5723 1 8 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.193 2.207 18989 5724 1 8 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.960 0.340 18989 5725 1 8 . 1 1 131 131 GLU N N 131 120.100 120.100 120.022 0.078 18989 5726 1 8 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.958 0.432 18989 5727 1 8 . 1 1 131 131 GLU C C 131 178.800 178.800 178.188 0.612 18989 5728 1 8 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.202 -0.602 18989 5729 1 8 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.047 -0.148 18989 5730 1 8 . 1 1 132 132 LYS N N 132 118.300 118.300 119.459 -1.159 18989 5731 1 8 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.869 0.091 18989 5732 1 8 . 1 1 132 132 LYS C C 132 180.400 180.400 178.965 1.435 18989 5733 1 8 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.574 0.726 18989 5734 1 8 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.481 0.219 18989 5735 1 8 . 1 1 133 133 ARG N N 133 118.400 118.400 116.683 1.717 18989 5736 1 8 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.933 0.127 18989 5737 1 8 . 1 1 133 133 ARG C C 133 178.600 178.600 178.593 0.007 18989 5738 1 8 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.724 -0.724 18989 5739 1 8 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.470 -0.070 18989 5740 1 8 . 1 1 134 134 ARG N N 134 122.500 122.500 120.761 1.739 18989 5741 1 8 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.112 -0.502 18989 5742 1 8 . 1 1 134 134 ARG C C 134 177.600 177.600 178.460 -0.860 18989 5743 1 8 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.133 0.268 18989 5744 1 8 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.286 0.714 18989 5745 1 8 . 1 1 135 135 LEU N N 135 118.200 118.200 119.251 -1.051 18989 5746 1 8 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.860 -0.050 18989 5747 1 8 . 1 1 135 135 LEU C C 135 179.700 179.700 178.691 1.009 18989 5748 1 8 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.741 -0.041 18989 5749 1 8 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.570 -0.170 18989 5750 1 8 . 1 1 136 136 ALA N N 136 120.400 120.400 120.414 -0.014 18989 5751 1 8 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.961 0.069 18989 5752 1 8 . 1 1 136 136 ALA C C 136 180.500 180.500 179.356 1.144 18989 5753 1 8 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.724 -0.024 18989 5754 1 8 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.880 0.220 18989 5755 1 8 . 1 1 137 137 ALA N N 137 123.200 123.200 121.133 2.067 18989 5756 1 8 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.828 0.072 18989 5757 1 8 . 1 1 137 137 ALA C C 137 178.700 178.700 179.042 -0.342 18989 5758 1 8 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.472 0.828 18989 5759 1 8 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.933 -2.133 18989 5760 1 8 . 1 1 138 138 ILE N N 138 115.400 115.400 117.462 -2.062 18989 5761 1 8 . 1 1 138 138 ILE HA H 138 2.830 2.830 2.499 0.331 18989 5762 1 8 . 1 1 138 138 ILE C C 138 177.800 177.800 177.324 0.476 18989 5763 1 8 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.042 0.158 18989 5764 1 8 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.279 0.121 18989 5765 1 8 . 1 1 139 139 THR N N 139 109.500 109.500 114.758 -5.258 18989 5766 1 8 . 1 1 139 139 THR HA H 139 4.150 4.150 4.221 -0.071 18989 5767 1 8 . 1 1 139 139 THR C C 139 177.300 177.300 176.304 0.996 18989 5768 1 8 . 1 1 139 139 THR CA C 139 64.000 64.000 65.645 -1.645 18989 5769 1 8 . 1 1 139 139 THR CB C 139 69.600 69.600 69.166 0.434 18989 5770 1 8 . 1 1 140 140 GLY N N 140 110.800 110.800 110.315 0.485 18989 5771 1 8 . 1 1 140 140 GLY C C 140 176.700 176.700 175.820 0.880 18989 5772 1 8 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.663 0.137 18989 5773 1 8 . 1 1 141 141 ILE N N 141 122.700 122.700 123.014 -0.314 18989 5774 1 8 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.309 -0.149 18989 5775 1 8 . 1 1 141 141 ILE CA C 141 68.300 68.300 66.369 1.931 18989 5776 1 8 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.109 0.191 18989 5777 1 8 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.589 -0.239 18989 5778 1 8 . 1 1 142 142 PRO C C 142 179.300 179.300 179.367 -0.067 18989 5779 1 8 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.679 1.021 18989 5780 1 8 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.143 0.057 18989 5781 1 8 . 1 1 143 143 GLU N N 143 113.900 113.900 118.774 -4.874 18989 5782 1 8 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.159 0.011 18989 5783 1 8 . 1 1 143 143 GLU C C 143 179.600 179.600 179.169 0.431 18989 5784 1 8 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.209 0.090 18989 5785 1 8 . 1 1 143 143 GLU CB C 143 30.000 30.000 28.867 1.133 18989 5786 1 8 . 1 1 144 144 THR N N 144 119.900 119.900 117.834 2.066 18989 5787 1 8 . 1 1 144 144 THR HA H 144 4.290 4.290 4.106 0.184 18989 5788 1 8 . 1 1 144 144 THR C C 144 175.800 175.800 176.742 -0.942 18989 5789 1 8 . 1 1 144 144 THR CA C 144 67.000 67.000 66.644 0.356 18989 5790 1 8 . 1 1 144 144 THR CB C 144 69.500 69.500 68.573 0.927 18989 5791 1 8 . 1 1 145 145 LEU N N 145 120.300 120.300 121.381 -1.081 18989 5792 1 8 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.047 -0.137 18989 5793 1 8 . 1 1 145 145 LEU C C 145 178.700 178.700 178.748 -0.048 18989 5794 1 8 . 1 1 145 145 LEU CA C 145 58.600 58.600 58.268 0.332 18989 5795 1 8 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.684 -0.184 18989 5796 1 8 . 1 1 146 146 VAL N N 146 117.600 117.600 118.429 -0.829 18989 5797 1 8 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.717 -0.037 18989 5798 1 8 . 1 1 146 146 VAL C C 146 177.700 177.700 178.154 -0.454 18989 5799 1 8 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.379 -0.280 18989 5800 1 8 . 1 1 146 146 VAL CB C 146 32.000 32.000 30.981 1.019 18989 5801 1 8 . 1 1 147 147 ALA N N 147 123.600 123.600 122.927 0.673 18989 5802 1 8 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.069 0.161 18989 5803 1 8 . 1 1 147 147 ALA C C 147 180.400 180.400 179.730 0.670 18989 5804 1 8 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.278 0.322 18989 5805 1 8 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.103 0.697 18989 5806 1 8 . 1 1 148 148 ILE N N 148 119.600 119.600 119.398 0.202 18989 5807 1 8 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.596 -0.286 18989 5808 1 8 . 1 1 148 148 ILE C C 148 177.100 177.100 177.985 -0.885 18989 5809 1 8 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.389 0.911 18989 5810 1 8 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.808 0.392 18989 5811 1 8 . 1 1 149 149 GLN N N 149 119.200 119.200 119.372 -0.172 18989 5812 1 8 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.835 -0.165 18989 5813 1 8 . 1 1 149 149 GLN C C 149 178.000 178.000 178.047 -0.047 18989 5814 1 8 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.415 0.685 18989 5815 1 8 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.767 0.834 18989 5816 1 8 . 1 1 150 150 ARG N N 150 120.500 120.500 120.061 0.439 18989 5817 1 8 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.149 -0.099 18989 5818 1 8 . 1 1 150 150 ARG C C 150 179.000 179.000 178.817 0.183 18989 5819 1 8 . 1 1 150 150 ARG CA C 150 59.300 59.300 58.637 0.663 18989 5820 1 8 . 1 1 150 150 ARG CB C 150 30.000 30.000 29.496 0.504 18989 5821 1 8 . 1 1 151 151 ILE N N 151 119.100 119.100 120.217 -1.117 18989 5822 1 8 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.828 -0.178 18989 5823 1 8 . 1 1 151 151 ILE C C 151 178.500 178.500 177.344 1.156 18989 5824 1 8 . 1 1 151 151 ILE CA C 151 65.300 65.300 63.477 1.823 18989 5825 1 8 . 1 1 151 151 ILE CB C 151 39.000 39.000 37.812 1.188 18989 5826 1 8 . 1 1 152 152 LEU N N 152 117.100 117.100 120.077 -2.977 18989 5827 1 8 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.893 0.187 18989 5828 1 8 . 1 1 152 152 LEU C C 152 178.700 178.700 179.349 -0.649 18989 5829 1 8 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.973 -0.973 18989 5830 1 8 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.391 1.509 18989 5831 1 8 . 1 1 153 153 GLU N N 153 117.800 117.800 119.271 -1.471 18989 5832 1 8 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.945 0.225 18989 5833 1 8 . 1 1 153 153 GLU C C 153 178.300 178.300 179.176 -0.876 18989 5834 1 8 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.558 -0.858 18989 5835 1 8 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.574 -0.274 18989 5836 1 8 . 1 1 154 154 VAL N N 154 119.500 119.500 119.175 0.325 18989 5837 1 8 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.633 0.367 18989 5838 1 8 . 1 1 154 154 VAL C C 154 177.500 177.500 177.726 -0.226 18989 5839 1 8 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.956 -2.256 18989 5840 1 8 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.578 0.622 18989 5841 1 8 . 1 1 155 155 GLU N N 155 121.300 121.300 118.823 2.477 18989 5842 1 8 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.260 -0.080 18989 5843 1 8 . 1 1 155 155 GLU C C 155 177.600 177.600 179.044 -1.444 18989 5844 1 8 . 1 1 155 155 GLU CA C 155 58.000 58.000 57.196 0.804 18989 5845 1 8 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.254 0.446 18989 5846 1 8 . 1 1 156 156 LEU N N 156 120.800 120.800 119.741 1.059 18989 5847 1 8 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.093 0.137 18989 5848 1 8 . 1 1 156 156 LEU C C 156 178.000 178.000 178.610 -0.610 18989 5849 1 8 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.447 -1.247 18989 5850 1 8 . 1 1 156 156 LEU CB C 156 42.300 42.300 41.694 0.606 18989 5851 1 8 . 1 1 157 157 GLU N N 157 119.700 119.700 118.226 1.474 18989 5852 1 8 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.281 -0.151 18989 5853 1 8 . 1 1 157 157 GLU C C 157 177.000 177.000 176.677 0.323 18989 5854 1 8 . 1 1 157 157 GLU CA C 157 57.400 57.400 56.849 0.551 18989 5855 1 8 . 1 1 157 157 GLU CB C 157 29.800 29.800 30.244 -0.444 18989 5856 1 8 . 1 1 158 158 HIS N N 158 117.700 117.700 118.257 -0.557 18989 5857 1 8 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.271 0.359 18989 5858 1 8 . 1 1 158 158 HIS C C 158 173.900 173.900 173.978 -0.078 18989 5859 1 8 . 1 1 158 158 HIS CA C 158 56.000 56.000 56.526 -0.526 18989 5860 1 8 . 1 1 158 158 HIS CB C 158 30.000 30.000 29.210 0.790 18989 5861 1 8 . 1 1 159 159 HIS N N 159 125.200 125.200 124.186 1.014 18989 5862 1 8 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.403 0.037 18989 5863 1 8 . 1 1 159 159 HIS CA C 159 57.300 57.300 56.906 0.394 18989 5864 1 8 . 1 1 159 159 HIS CB C 159 28.800 28.800 29.262 -0.462 18989 5865 1 9 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.361 0.039 18989 5866 1 9 . 1 1 2 2 PRO CA C 2 62.400 62.400 63.496 -1.096 18989 5867 1 9 . 1 1 2 2 PRO CB C 2 32.800 32.800 30.417 2.383 18989 5868 1 9 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.441 0.039 18989 5869 1 9 . 1 1 3 3 LYS C C 3 176.600 176.600 176.382 0.218 18989 5870 1 9 . 1 1 3 3 LYS CA C 3 55.900 55.900 55.505 0.395 18989 5871 1 9 . 1 1 3 3 LYS CB C 3 34.200 34.200 33.270 0.930 18989 5872 1 9 . 1 1 4 4 SER N N 4 117.800 117.800 119.539 -1.739 18989 5873 1 9 . 1 1 4 4 SER HA H 4 4.220 4.220 4.028 0.192 18989 5874 1 9 . 1 1 4 4 SER C C 4 174.100 174.100 174.298 -0.198 18989 5875 1 9 . 1 1 4 4 SER CA C 4 59.700 59.700 60.908 -1.208 18989 5876 1 9 . 1 1 4 4 SER CB C 4 63.700 63.700 62.328 1.373 18989 5877 1 9 . 1 1 5 5 LEU N N 5 124.700 124.700 120.550 4.150 18989 5878 1 9 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.141 0.659 18989 5879 1 9 . 1 1 5 5 LEU C C 5 175.500 175.500 174.389 1.111 18989 5880 1 9 . 1 1 5 5 LEU CA C 5 54.000 54.000 55.263 -1.263 18989 5881 1 9 . 1 1 5 5 LEU CB C 5 43.200 43.200 40.330 2.870 18989 5882 1 9 . 1 1 6 6 THR N N 6 111.200 111.200 115.274 -4.074 18989 5883 1 9 . 1 1 6 6 THR HA H 6 5.620 5.620 4.761 0.859 18989 5884 1 9 . 1 1 6 6 THR C C 6 174.500 174.500 173.604 0.896 18989 5885 1 9 . 1 1 6 6 THR CA C 6 59.700 59.700 61.698 -1.998 18989 5886 1 9 . 1 1 6 6 THR CB C 6 73.000 73.000 71.860 1.140 18989 5887 1 9 . 1 1 7 7 PHE N N 7 120.700 120.700 127.168 -6.468 18989 5888 1 9 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.951 -0.201 18989 5889 1 9 . 1 1 7 7 PHE C C 7 172.100 172.100 173.062 -0.962 18989 5890 1 9 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.248 2.052 18989 5891 1 9 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.373 0.127 18989 5892 1 9 . 1 1 8 8 GLU N N 8 122.100 122.100 122.390 -0.290 18989 5893 1 9 . 1 1 8 8 GLU HA H 8 5.380 5.380 5.330 0.050 18989 5894 1 9 . 1 1 8 8 GLU C C 8 172.500 172.500 174.202 -1.702 18989 5895 1 9 . 1 1 8 8 GLU CA C 8 54.500 54.500 53.625 0.875 18989 5896 1 9 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.474 0.027 18989 5897 1 9 . 1 1 9 9 ASP N N 9 117.400 117.400 120.053 -2.653 18989 5898 1 9 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.736 0.084 18989 5899 1 9 . 1 1 9 9 ASP C C 9 173.500 173.500 173.944 -0.444 18989 5900 1 9 . 1 1 9 9 ASP CA C 9 53.100 53.100 52.591 0.509 18989 5901 1 9 . 1 1 9 9 ASP CB C 9 45.100 45.100 43.555 1.545 18989 5902 1 9 . 1 1 10 10 SER N N 10 113.600 113.600 116.698 -3.098 18989 5903 1 9 . 1 1 10 10 SER HA H 10 5.990 5.990 5.591 0.399 18989 5904 1 9 . 1 1 10 10 SER C C 10 172.600 172.600 173.220 -0.620 18989 5905 1 9 . 1 1 10 10 SER CA C 10 57.300 57.300 57.364 -0.064 18989 5906 1 9 . 1 1 10 10 SER CB C 10 68.100 68.100 65.823 2.277 18989 5907 1 9 . 1 1 11 11 ILE N N 11 122.700 122.700 122.645 0.055 18989 5908 1 9 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.354 0.166 18989 5909 1 9 . 1 1 11 11 ILE C C 11 171.300 171.300 173.251 -1.951 18989 5910 1 9 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.873 0.127 18989 5911 1 9 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.226 1.174 18989 5912 1 9 . 1 1 12 12 ASN N N 12 124.600 124.600 124.567 0.033 18989 5913 1 9 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.976 0.304 18989 5914 1 9 . 1 1 12 12 ASN C C 12 174.700 174.700 174.776 -0.076 18989 5915 1 9 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.497 -0.197 18989 5916 1 9 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.105 0.494 18989 5917 1 9 . 1 1 13 13 ILE N N 13 122.900 122.900 125.191 -2.291 18989 5918 1 9 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.105 0.345 18989 5919 1 9 . 1 1 13 13 ILE C C 13 175.300 175.300 174.855 0.445 18989 5920 1 9 . 1 1 13 13 ILE CA C 13 60.300 60.300 61.031 -0.731 18989 5921 1 9 . 1 1 13 13 ILE CB C 13 41.600 41.600 38.989 2.611 18989 5922 1 9 . 1 1 14 14 ALA N N 14 136.600 136.600 130.776 5.824 18989 5923 1 9 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.487 0.213 18989 5924 1 9 . 1 1 14 14 ALA C C 14 175.100 175.100 175.606 -0.506 18989 5925 1 9 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.295 -0.295 18989 5926 1 9 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.939 -1.639 18989 5927 1 9 . 1 1 15 15 ALA N N 15 122.100 122.100 125.725 -3.625 18989 5928 1 9 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.715 0.045 18989 5929 1 9 . 1 1 15 15 ALA CA C 15 50.000 50.000 50.171 -0.171 18989 5930 1 9 . 1 1 15 15 ALA CB C 15 21.100 21.100 19.970 1.130 18989 5931 1 9 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.560 0.050 18989 5932 1 9 . 1 1 16 16 PRO C C 16 179.200 179.200 177.520 1.680 18989 5933 1 9 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.964 -0.864 18989 5934 1 9 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.751 0.349 18989 5935 1 9 . 1 1 17 17 ILE N N 17 124.400 124.400 123.581 0.819 18989 5936 1 9 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.712 0.278 18989 5937 1 9 . 1 1 17 17 ILE C C 17 175.800 175.800 176.662 -0.862 18989 5938 1 9 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.721 0.979 18989 5939 1 9 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.303 0.397 18989 5940 1 9 . 1 1 18 18 ASN N N 18 117.200 117.200 117.159 0.041 18989 5941 1 9 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.329 0.361 18989 5942 1 9 . 1 1 18 18 ASN C C 18 178.700 178.700 177.325 1.375 18989 5943 1 9 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.492 -0.692 18989 5944 1 9 . 1 1 18 18 ASN CB C 18 37.100 37.100 37.901 -0.802 18989 5945 1 9 . 1 1 19 19 GLN N N 19 120.300 120.300 120.019 0.281 18989 5946 1 9 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.111 0.009 18989 5947 1 9 . 1 1 19 19 GLN C C 19 178.500 178.500 178.349 0.151 18989 5948 1 9 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.199 0.101 18989 5949 1 9 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.421 -0.121 18989 5950 1 9 . 1 1 20 20 VAL N N 20 120.300 120.300 120.567 -0.267 18989 5951 1 9 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.586 -0.136 18989 5952 1 9 . 1 1 20 20 VAL C C 20 177.500 177.500 177.769 -0.269 18989 5953 1 9 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.552 -0.352 18989 5954 1 9 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.671 -0.771 18989 5955 1 9 . 1 1 21 21 TYR N N 21 118.800 118.800 121.303 -2.503 18989 5956 1 9 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.197 -0.617 18989 5957 1 9 . 1 1 21 21 TYR C C 21 177.800 177.800 177.122 0.678 18989 5958 1 9 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.285 1.615 18989 5959 1 9 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.353 0.047 18989 5960 1 9 . 1 1 22 22 ALA N N 22 120.400 120.400 121.460 -1.060 18989 5961 1 9 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.922 -0.162 18989 5962 1 9 . 1 1 22 22 ALA C C 22 178.000 178.000 178.439 -0.439 18989 5963 1 9 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.803 -0.103 18989 5964 1 9 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.420 0.080 18989 5965 1 9 . 1 1 23 23 LEU N N 23 116.400 116.400 116.240 0.160 18989 5966 1 9 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.252 -0.022 18989 5967 1 9 . 1 1 23 23 LEU C C 23 177.200 177.200 179.113 -1.913 18989 5968 1 9 . 1 1 23 23 LEU CA C 23 58.000 58.000 55.596 2.404 18989 5969 1 9 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.103 1.297 18989 5970 1 9 . 1 1 24 24 VAL N N 24 128.600 128.600 121.157 7.443 18989 5971 1 9 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.604 -0.244 18989 5972 1 9 . 1 1 24 24 VAL C C 24 175.200 175.200 177.453 -2.253 18989 5973 1 9 . 1 1 24 24 VAL CA C 24 64.300 64.300 65.886 -1.586 18989 5974 1 9 . 1 1 24 24 VAL CB C 24 30.800 30.800 31.902 -1.102 18989 5975 1 9 . 1 1 25 25 SER N N 25 108.500 108.500 115.615 -7.115 18989 5976 1 9 . 1 1 25 25 SER HA H 25 2.520 2.520 4.049 -1.529 18989 5977 1 9 . 1 1 25 25 SER CA C 25 58.200 58.200 57.136 1.063 18989 5978 1 9 . 1 1 25 25 SER CB C 25 63.600 63.600 61.182 2.418 18989 5979 1 9 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.382 0.528 18989 5980 1 9 . 1 1 26 26 ASP C C 26 175.500 175.500 177.839 -2.339 18989 5981 1 9 . 1 1 26 26 ASP CA C 26 51.200 51.200 56.709 -5.509 18989 5982 1 9 . 1 1 26 26 ASP CB C 26 38.100 38.100 41.143 -3.043 18989 5983 1 9 . 1 1 27 27 ILE N N 27 123.500 123.500 117.593 5.907 18989 5984 1 9 . 1 1 27 27 ILE HA H 27 3.390 3.390 3.841 -0.451 18989 5985 1 9 . 1 1 27 27 ILE C C 27 178.900 178.900 176.260 2.640 18989 5986 1 9 . 1 1 27 27 ILE CA C 27 61.700 61.700 63.249 -1.550 18989 5987 1 9 . 1 1 27 27 ILE CB C 27 36.600 36.600 38.135 -1.535 18989 5988 1 9 . 1 1 28 28 THR N N 28 112.500 112.500 114.200 -1.700 18989 5989 1 9 . 1 1 28 28 THR HA H 28 4.350 4.350 4.273 0.077 18989 5990 1 9 . 1 1 28 28 THR C C 28 176.500 176.500 173.539 2.961 18989 5991 1 9 . 1 1 28 28 THR CA C 28 64.000 64.000 61.283 2.717 18989 5992 1 9 . 1 1 28 28 THR CB C 28 68.600 68.600 66.926 1.674 18989 5993 1 9 . 1 1 29 29 ARG N N 29 121.100 121.100 122.782 -1.682 18989 5994 1 9 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.665 -0.385 18989 5995 1 9 . 1 1 29 29 ARG CA C 29 56.200 56.200 54.591 1.609 18989 5996 1 9 . 1 1 29 29 ARG CB C 29 30.600 30.600 34.182 -3.582 18989 5997 1 9 . 1 1 30 30 THR HA H 30 5.870 5.870 4.194 1.676 18989 5998 1 9 . 1 1 30 30 THR C C 30 174.000 174.000 175.370 -1.370 18989 5999 1 9 . 1 1 30 30 THR CA C 30 66.000 66.000 62.866 3.134 18989 6000 1 9 . 1 1 30 30 THR CB C 30 69.400 69.400 68.495 0.905 18989 6001 1 9 . 1 1 31 31 GLY N N 31 106.200 106.200 114.220 -8.020 18989 6002 1 9 . 1 1 31 31 GLY C C 31 175.200 175.200 173.985 1.215 18989 6003 1 9 . 1 1 31 31 GLY CA C 31 46.200 46.200 45.315 0.885 18989 6004 1 9 . 1 1 32 32 GLU N N 32 118.400 118.400 118.726 -0.326 18989 6005 1 9 . 1 1 32 32 GLU HA H 32 3.970 3.970 3.976 -0.006 18989 6006 1 9 . 1 1 32 32 GLU C C 32 177.500 177.500 175.995 1.505 18989 6007 1 9 . 1 1 32 32 GLU CA C 32 58.800 58.800 57.117 1.683 18989 6008 1 9 . 1 1 32 32 GLU CB C 32 29.800 29.800 28.720 1.080 18989 6009 1 9 . 1 1 33 33 TRP N N 33 113.200 113.200 119.413 -6.213 18989 6010 1 9 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.316 0.624 18989 6011 1 9 . 1 1 33 33 TRP C C 33 175.300 175.300 175.629 -0.329 18989 6012 1 9 . 1 1 33 33 TRP CA C 33 56.400 56.400 57.412 -1.012 18989 6013 1 9 . 1 1 33 33 TRP CB C 33 30.600 30.600 27.267 3.333 18989 6014 1 9 . 1 1 34 34 SER N N 34 118.600 118.600 112.257 6.343 18989 6015 1 9 . 1 1 34 34 SER HA H 34 4.930 4.930 4.229 0.701 18989 6016 1 9 . 1 1 34 34 SER CA C 34 54.700 54.700 57.868 -3.168 18989 6017 1 9 . 1 1 34 34 SER CB C 34 63.000 63.000 63.106 -0.106 18989 6018 1 9 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.380 0.080 18989 6019 1 9 . 1 1 35 35 PRO C C 35 177.100 177.100 177.425 -0.325 18989 6020 1 9 . 1 1 35 35 PRO CA C 35 64.500 64.500 63.189 1.311 18989 6021 1 9 . 1 1 35 35 PRO CB C 35 32.300 32.300 31.674 0.626 18989 6022 1 9 . 1 1 36 36 VAL N N 36 113.900 113.900 119.714 -5.814 18989 6023 1 9 . 1 1 36 36 VAL HA H 36 4.100 4.100 3.967 0.133 18989 6024 1 9 . 1 1 36 36 VAL C C 36 174.200 174.200 176.101 -1.901 18989 6025 1 9 . 1 1 36 36 VAL CA C 36 62.900 62.900 63.751 -0.850 18989 6026 1 9 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.906 0.594 18989 6027 1 9 . 1 1 37 37 CYS N N 37 121.000 121.000 120.578 0.422 18989 6028 1 9 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.300 0.160 18989 6029 1 9 . 1 1 37 37 CYS C C 37 173.600 173.600 175.598 -1.998 18989 6030 1 9 . 1 1 37 37 CYS CA C 37 58.500 58.500 60.083 -1.583 18989 6031 1 9 . 1 1 37 37 CYS CB C 37 27.000 27.000 26.565 0.435 18989 6032 1 9 . 1 1 38 38 GLU N N 38 129.300 129.300 127.948 1.352 18989 6033 1 9 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.084 0.056 18989 6034 1 9 . 1 1 38 38 GLU C C 38 176.500 176.500 176.349 0.151 18989 6035 1 9 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.330 -0.430 18989 6036 1 9 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.091 1.708 18989 6037 1 9 . 1 1 39 39 LYS N N 39 117.100 117.100 116.452 0.648 18989 6038 1 9 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.303 0.167 18989 6039 1 9 . 1 1 39 39 LYS C C 39 173.600 173.600 173.690 -0.090 18989 6040 1 9 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.402 0.398 18989 6041 1 9 . 1 1 39 39 LYS CB C 39 36.500 36.500 35.347 1.153 18989 6042 1 9 . 1 1 40 40 CYS N N 40 125.100 125.100 121.629 3.471 18989 6043 1 9 . 1 1 40 40 CYS HA H 40 5.410 5.410 4.462 0.948 18989 6044 1 9 . 1 1 40 40 CYS C C 40 173.000 173.000 173.248 -0.248 18989 6045 1 9 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.913 -0.813 18989 6046 1 9 . 1 1 40 40 CYS CB C 40 30.100 30.100 28.765 1.335 18989 6047 1 9 . 1 1 41 41 TRP N N 41 124.300 124.300 129.207 -4.907 18989 6048 1 9 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.835 -0.005 18989 6049 1 9 . 1 1 41 41 TRP C C 41 174.100 174.100 174.690 -0.590 18989 6050 1 9 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.208 0.092 18989 6051 1 9 . 1 1 41 41 TRP CB C 41 32.400 32.400 30.501 1.899 18989 6052 1 9 . 1 1 42 42 TRP N N 42 123.700 123.700 121.868 1.832 18989 6053 1 9 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.893 -0.063 18989 6054 1 9 . 1 1 42 42 TRP C C 42 178.200 178.200 176.633 1.567 18989 6055 1 9 . 1 1 42 42 TRP CA C 42 57.000 57.000 55.986 1.014 18989 6056 1 9 . 1 1 42 42 TRP CB C 42 31.600 31.600 32.771 -1.171 18989 6057 1 9 . 1 1 43 43 ASP N N 43 124.400 124.400 122.162 2.238 18989 6058 1 9 . 1 1 43 43 ASP HA H 43 4.680 4.680 3.878 0.802 18989 6059 1 9 . 1 1 43 43 ASP C C 43 176.300 176.300 178.144 -1.844 18989 6060 1 9 . 1 1 43 43 ASP CA C 43 56.300 56.300 56.567 -0.267 18989 6061 1 9 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.688 -0.389 18989 6062 1 9 . 1 1 44 44 GLU N N 44 119.400 119.400 119.860 -0.460 18989 6063 1 9 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.033 0.237 18989 6064 1 9 . 1 1 44 44 GLU C C 44 176.500 176.500 177.191 -0.691 18989 6065 1 9 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.470 -0.870 18989 6066 1 9 . 1 1 44 44 GLU CB C 44 30.200 30.200 29.361 0.839 18989 6067 1 9 . 1 1 45 45 ASP N N 45 118.300 118.300 117.560 0.740 18989 6068 1 9 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.575 -0.095 18989 6069 1 9 . 1 1 45 45 ASP C C 45 175.900 175.900 176.247 -0.347 18989 6070 1 9 . 1 1 45 45 ASP CA C 45 56.000 56.000 55.175 0.825 18989 6071 1 9 . 1 1 45 45 ASP CB C 45 40.200 40.200 41.493 -1.293 18989 6072 1 9 . 1 1 46 46 GLU N N 46 118.200 118.200 118.305 -0.105 18989 6073 1 9 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.514 -0.054 18989 6074 1 9 . 1 1 46 46 GLU C C 46 175.200 175.200 176.610 -1.410 18989 6075 1 9 . 1 1 46 46 GLU CA C 46 56.600 56.600 54.901 1.698 18989 6076 1 9 . 1 1 46 46 GLU CB C 46 30.800 30.800 31.600 -0.800 18989 6077 1 9 . 1 1 47 47 GLY N N 47 106.400 106.400 109.712 -3.312 18989 6078 1 9 . 1 1 47 47 GLY CA C 47 43.600 43.600 43.702 -0.102 18989 6079 1 9 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.865 -0.275 18989 6080 1 9 . 1 1 48 48 PRO C C 48 173.400 173.400 175.917 -2.517 18989 6081 1 9 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.733 0.366 18989 6082 1 9 . 1 1 48 48 PRO CB C 48 29.100 29.100 31.771 -2.671 18989 6083 1 9 . 1 1 49 49 VAL N N 49 121.900 121.900 118.846 3.054 18989 6084 1 9 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.598 0.012 18989 6085 1 9 . 1 1 49 49 VAL C C 49 175.100 175.100 175.659 -0.559 18989 6086 1 9 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.527 0.773 18989 6087 1 9 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.269 1.231 18989 6088 1 9 . 1 1 50 50 VAL N N 50 121.700 121.700 123.154 -1.454 18989 6089 1 9 . 1 1 50 50 VAL HA H 50 3.300 3.300 4.053 -0.753 18989 6090 1 9 . 1 1 50 50 VAL C C 50 177.400 177.400 177.273 0.127 18989 6091 1 9 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.996 2.204 18989 6092 1 9 . 1 1 50 50 VAL CB C 50 31.300 31.300 30.644 0.656 18989 6093 1 9 . 1 1 51 51 GLY N N 51 115.800 115.800 116.910 -1.110 18989 6094 1 9 . 1 1 51 51 GLY C C 51 174.200 174.200 173.639 0.561 18989 6095 1 9 . 1 1 51 51 GLY CA C 51 44.600 44.600 45.031 -0.430 18989 6096 1 9 . 1 1 52 52 ALA N N 52 123.000 123.000 125.505 -2.505 18989 6097 1 9 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.559 -0.009 18989 6098 1 9 . 1 1 52 52 ALA C C 52 177.300 177.300 175.731 1.569 18989 6099 1 9 . 1 1 52 52 ALA CA C 52 52.800 52.800 53.160 -0.360 18989 6100 1 9 . 1 1 52 52 ALA CB C 52 23.100 23.100 19.538 3.562 18989 6101 1 9 . 1 1 53 53 HIS N N 53 115.900 115.900 118.254 -2.354 18989 6102 1 9 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.688 0.332 18989 6103 1 9 . 1 1 53 53 HIS C C 53 174.200 174.200 173.109 1.091 18989 6104 1 9 . 1 1 53 53 HIS CA C 53 55.200 55.200 53.055 2.145 18989 6105 1 9 . 1 1 53 53 HIS CB C 53 32.100 32.100 30.789 1.311 18989 6106 1 9 . 1 1 54 54 PHE N N 54 115.800 115.800 122.912 -7.112 18989 6107 1 9 . 1 1 54 54 PHE HA H 54 5.150 5.150 4.735 0.415 18989 6108 1 9 . 1 1 54 54 PHE C C 54 172.600 172.600 174.091 -1.491 18989 6109 1 9 . 1 1 54 54 PHE CA C 54 55.500 55.500 56.765 -1.265 18989 6110 1 9 . 1 1 54 54 PHE CB C 54 41.700 41.700 43.779 -2.079 18989 6111 1 9 . 1 1 55 55 THR N N 55 118.300 118.300 113.435 4.865 18989 6112 1 9 . 1 1 55 55 THR HA H 55 4.770 4.770 5.073 -0.303 18989 6113 1 9 . 1 1 55 55 THR C C 55 171.800 171.800 174.621 -2.821 18989 6114 1 9 . 1 1 55 55 THR CA C 55 61.000 61.000 60.233 0.768 18989 6115 1 9 . 1 1 55 55 THR CB C 55 70.200 70.200 70.403 -0.203 18989 6116 1 9 . 1 1 56 56 GLY N N 56 110.500 110.500 112.038 -1.538 18989 6117 1 9 . 1 1 56 56 GLY C C 56 171.100 171.100 172.507 -1.407 18989 6118 1 9 . 1 1 56 56 GLY CA C 56 44.300 44.300 43.992 0.308 18989 6119 1 9 . 1 1 57 57 ARG N N 57 123.800 123.800 126.827 -3.027 18989 6120 1 9 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.195 0.465 18989 6121 1 9 . 1 1 57 57 ARG C C 57 172.900 172.900 174.941 -2.041 18989 6122 1 9 . 1 1 57 57 ARG CA C 57 55.300 55.300 53.901 1.399 18989 6123 1 9 . 1 1 57 57 ARG CB C 57 32.500 32.500 30.218 2.282 18989 6124 1 9 . 1 1 58 58 ASN N N 58 127.200 127.200 124.549 2.651 18989 6125 1 9 . 1 1 58 58 ASN HA H 58 5.060 5.060 4.778 0.282 18989 6126 1 9 . 1 1 58 58 ASN C C 58 173.100 173.100 173.325 -0.225 18989 6127 1 9 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.187 -1.287 18989 6128 1 9 . 1 1 58 58 ASN CB C 58 38.800 38.800 40.538 -1.738 18989 6129 1 9 . 1 1 59 59 VAL N N 59 121.400 121.400 125.742 -4.342 18989 6130 1 9 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.421 0.259 18989 6131 1 9 . 1 1 59 59 VAL C C 59 175.100 175.100 174.131 0.969 18989 6132 1 9 . 1 1 59 59 VAL CA C 59 62.400 62.400 61.216 1.184 18989 6133 1 9 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.181 1.619 18989 6134 1 9 . 1 1 60 60 THR N N 60 118.000 118.000 119.479 -1.479 18989 6135 1 9 . 1 1 60 60 THR HA H 60 5.000 5.000 5.119 -0.119 18989 6136 1 9 . 1 1 60 60 THR CA C 60 58.900 58.900 58.344 0.556 18989 6137 1 9 . 1 1 60 60 THR CB C 60 70.200 70.200 70.424 -0.224 18989 6138 1 9 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.343 -0.063 18989 6139 1 9 . 1 1 61 61 PRO C C 61 177.700 177.700 177.494 0.206 18989 6140 1 9 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.744 0.756 18989 6141 1 9 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.837 -0.037 18989 6142 1 9 . 1 1 62 62 GLU N N 62 111.700 111.700 116.767 -5.067 18989 6143 1 9 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.248 0.032 18989 6144 1 9 . 1 1 62 62 GLU C C 62 176.500 176.500 176.865 -0.365 18989 6145 1 9 . 1 1 62 62 GLU CA C 62 57.600 57.600 56.442 1.158 18989 6146 1 9 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.276 0.724 18989 6147 1 9 . 1 1 63 63 ARG N N 63 118.000 118.000 119.755 -1.755 18989 6148 1 9 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.734 -0.044 18989 6149 1 9 . 1 1 63 63 ARG C C 63 174.000 174.000 174.392 -0.392 18989 6150 1 9 . 1 1 63 63 ARG CA C 63 56.700 56.700 54.995 1.705 18989 6151 1 9 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.761 -0.061 18989 6152 1 9 . 1 1 64 64 THR N N 64 120.700 120.700 119.757 0.943 18989 6153 1 9 . 1 1 64 64 THR HA H 64 5.780 5.780 4.949 0.831 18989 6154 1 9 . 1 1 64 64 THR C C 64 174.000 174.000 172.826 1.174 18989 6155 1 9 . 1 1 64 64 THR CA C 64 61.600 61.600 62.089 -0.489 18989 6156 1 9 . 1 1 64 64 THR CB C 64 71.700 71.700 69.731 1.969 18989 6157 1 9 . 1 1 65 65 TRP N N 65 128.000 128.000 128.268 -0.268 18989 6158 1 9 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.784 0.386 18989 6159 1 9 . 1 1 65 65 TRP C C 65 172.800 172.800 174.243 -1.443 18989 6160 1 9 . 1 1 65 65 TRP CA C 65 57.300 57.300 56.980 0.320 18989 6161 1 9 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.371 -0.471 18989 6162 1 9 . 1 1 66 66 GLU N N 66 120.800 120.800 123.654 -2.854 18989 6163 1 9 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.770 0.820 18989 6164 1 9 . 1 1 66 66 GLU C C 66 177.300 177.300 175.534 1.766 18989 6165 1 9 . 1 1 66 66 GLU CA C 66 54.200 54.200 55.002 -0.802 18989 6166 1 9 . 1 1 66 66 GLU CB C 66 32.700 32.700 30.967 1.733 18989 6167 1 9 . 1 1 67 67 THR N N 67 113.700 113.700 113.773 -0.073 18989 6168 1 9 . 1 1 67 67 THR HA H 67 4.750 4.750 4.779 -0.029 18989 6169 1 9 . 1 1 67 67 THR C C 67 173.300 173.300 174.376 -1.076 18989 6170 1 9 . 1 1 67 67 THR CA C 67 59.500 59.500 60.718 -1.218 18989 6171 1 9 . 1 1 67 67 THR CB C 67 71.500 71.500 70.358 1.142 18989 6172 1 9 . 1 1 68 68 ARG N N 68 125.300 125.300 129.388 -4.088 18989 6173 1 9 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.453 0.407 18989 6174 1 9 . 1 1 68 68 ARG C C 68 175.700 175.700 175.131 0.569 18989 6175 1 9 . 1 1 68 68 ARG CA C 68 55.000 55.000 55.219 -0.219 18989 6176 1 9 . 1 1 68 68 ARG CB C 68 31.700 31.700 30.040 1.661 18989 6177 1 9 . 1 1 69 69 SER N N 69 122.000 122.000 123.699 -1.699 18989 6178 1 9 . 1 1 69 69 SER HA H 69 5.570 5.570 4.789 0.781 18989 6179 1 9 . 1 1 69 69 SER C C 69 172.200 172.200 172.512 -0.312 18989 6180 1 9 . 1 1 69 69 SER CA C 69 58.000 58.000 58.203 -0.203 18989 6181 1 9 . 1 1 69 69 SER CB C 69 66.700 66.700 63.318 3.382 18989 6182 1 9 . 1 1 70 70 GLU N N 70 121.900 121.900 128.260 -6.360 18989 6183 1 9 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.723 0.477 18989 6184 1 9 . 1 1 70 70 GLU C C 70 176.000 176.000 176.017 -0.017 18989 6185 1 9 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.614 -1.014 18989 6186 1 9 . 1 1 70 70 GLU CB C 70 34.700 34.700 31.519 3.181 18989 6187 1 9 . 1 1 71 71 VAL N N 71 126.600 126.600 128.456 -1.856 18989 6188 1 9 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.201 0.049 18989 6189 1 9 . 1 1 71 71 VAL C C 71 177.600 177.600 176.212 1.388 18989 6190 1 9 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.458 1.342 18989 6191 1 9 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.109 1.091 18989 6192 1 9 . 1 1 72 72 ILE N N 72 123.200 123.200 125.707 -2.507 18989 6193 1 9 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.395 0.335 18989 6194 1 9 . 1 1 72 72 ILE C C 72 175.200 175.200 175.779 -0.579 18989 6195 1 9 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.504 -0.504 18989 6196 1 9 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.812 0.788 18989 6197 1 9 . 1 1 73 73 VAL N N 73 121.700 121.700 119.078 2.622 18989 6198 1 9 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.521 -0.321 18989 6199 1 9 . 1 1 73 73 VAL C C 73 172.000 172.000 173.236 -1.236 18989 6200 1 9 . 1 1 73 73 VAL CA C 73 62.100 62.100 60.883 1.217 18989 6201 1 9 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.145 -0.445 18989 6202 1 9 . 1 1 74 74 ALA N N 74 131.100 131.100 129.951 1.149 18989 6203 1 9 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.124 0.196 18989 6204 1 9 . 1 1 74 74 ALA C C 74 174.900 174.900 175.871 -0.971 18989 6205 1 9 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.504 1.196 18989 6206 1 9 . 1 1 74 74 ALA CB C 74 18.300 18.300 21.163 -2.863 18989 6207 1 9 . 1 1 75 75 GLU N N 75 126.100 126.100 123.871 2.229 18989 6208 1 9 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.981 -0.011 18989 6209 1 9 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.631 -0.531 18989 6210 1 9 . 1 1 75 75 GLU CB C 75 31.300 31.300 31.101 0.199 18989 6211 1 9 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.236 -1.616 18989 6212 1 9 . 1 1 76 76 PRO CA C 76 63.900 63.900 64.220 -0.320 18989 6213 1 9 . 1 1 76 76 PRO CB C 76 31.900 31.900 30.982 0.918 18989 6214 1 9 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.275 -0.515 18989 6215 1 9 . 1 1 77 77 ASN C C 77 172.700 172.700 176.179 -3.479 18989 6216 1 9 . 1 1 77 77 ASN CA C 77 55.100 55.100 55.628 -0.528 18989 6217 1 9 . 1 1 77 77 ASN CB C 77 36.900 36.900 37.054 -0.154 18989 6218 1 9 . 1 1 78 78 ARG N N 78 115.300 115.300 120.042 -4.742 18989 6219 1 9 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.592 0.308 18989 6220 1 9 . 1 1 78 78 ARG C C 78 176.000 176.000 175.322 0.678 18989 6221 1 9 . 1 1 78 78 ARG CA C 78 58.300 58.300 57.338 0.962 18989 6222 1 9 . 1 1 78 78 ARG CB C 78 34.000 34.000 31.480 2.520 18989 6223 1 9 . 1 1 79 79 CYS N N 79 117.700 117.700 116.175 1.525 18989 6224 1 9 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.003 0.667 18989 6225 1 9 . 1 1 79 79 CYS C C 79 172.200 172.200 172.682 -0.482 18989 6226 1 9 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.461 -0.261 18989 6227 1 9 . 1 1 79 79 CYS CB C 79 29.500 29.500 28.118 1.382 18989 6228 1 9 . 1 1 80 80 PHE N N 80 129.500 129.500 129.763 -0.263 18989 6229 1 9 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.183 0.337 18989 6230 1 9 . 1 1 80 80 PHE C C 80 173.400 173.400 174.036 -0.636 18989 6231 1 9 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.581 1.319 18989 6232 1 9 . 1 1 80 80 PHE CB C 80 43.800 43.800 41.513 2.287 18989 6233 1 9 . 1 1 81 81 GLY N N 81 114.500 114.500 115.580 -1.080 18989 6234 1 9 . 1 1 81 81 GLY C C 81 171.900 171.900 171.948 -0.048 18989 6235 1 9 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.910 1.690 18989 6236 1 9 . 1 1 82 82 TRP N N 82 121.700 121.700 123.590 -1.890 18989 6237 1 9 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.413 0.377 18989 6238 1 9 . 1 1 82 82 TRP C C 82 171.500 171.500 173.847 -2.347 18989 6239 1 9 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.045 3.354 18989 6240 1 9 . 1 1 82 82 TRP CB C 82 33.900 33.900 31.947 1.953 18989 6241 1 9 . 1 1 83 83 SER N N 83 113.600 113.600 115.331 -1.731 18989 6242 1 9 . 1 1 83 83 SER HA H 83 5.680 5.680 5.230 0.450 18989 6243 1 9 . 1 1 83 83 SER C C 83 174.500 174.500 174.204 0.296 18989 6244 1 9 . 1 1 83 83 SER CA C 83 54.800 54.800 56.269 -1.469 18989 6245 1 9 . 1 1 83 83 SER CB C 83 66.700 66.700 64.497 2.203 18989 6246 1 9 . 1 1 84 84 VAL N N 84 125.400 125.400 129.977 -4.577 18989 6247 1 9 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.933 -0.083 18989 6248 1 9 . 1 1 84 84 VAL C C 84 176.500 176.500 176.784 -0.284 18989 6249 1 9 . 1 1 84 84 VAL CA C 84 61.400 61.400 62.768 -1.368 18989 6250 1 9 . 1 1 84 84 VAL CB C 84 34.600 34.600 31.948 2.652 18989 6251 1 9 . 1 1 85 85 THR N N 85 120.300 120.300 117.135 3.165 18989 6252 1 9 . 1 1 85 85 THR HA H 85 3.720 3.720 4.071 -0.351 18989 6253 1 9 . 1 1 85 85 THR C C 85 173.500 173.500 173.948 -0.448 18989 6254 1 9 . 1 1 85 85 THR CA C 85 62.900 62.900 63.381 -0.481 18989 6255 1 9 . 1 1 85 85 THR CB C 85 66.600 66.600 68.038 -1.438 18989 6256 1 9 . 1 1 86 86 ASP N N 86 119.000 119.000 122.395 -3.395 18989 6257 1 9 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.405 -0.185 18989 6258 1 9 . 1 1 86 86 ASP C C 86 177.100 177.100 176.554 0.546 18989 6259 1 9 . 1 1 86 86 ASP CA C 86 54.700 54.700 53.998 0.702 18989 6260 1 9 . 1 1 86 86 ASP CB C 86 39.700 39.700 38.607 1.093 18989 6261 1 9 . 1 1 87 87 GLY N N 87 103.400 103.400 108.554 -5.154 18989 6262 1 9 . 1 1 87 87 GLY C C 87 175.000 175.000 174.332 0.668 18989 6263 1 9 . 1 1 87 87 GLY CA C 87 45.600 45.600 45.603 -0.003 18989 6264 1 9 . 1 1 88 88 ASN N N 88 122.300 122.300 118.346 3.954 18989 6265 1 9 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.893 -0.783 18989 6266 1 9 . 1 1 88 88 ASN C C 88 174.500 174.500 174.223 0.277 18989 6267 1 9 . 1 1 88 88 ASN CA C 88 55.600 55.600 53.858 1.742 18989 6268 1 9 . 1 1 88 88 ASN CB C 88 38.200 38.200 41.180 -2.980 18989 6269 1 9 . 1 1 89 89 VAL N N 89 115.700 115.700 119.450 -3.750 18989 6270 1 9 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.321 0.509 18989 6271 1 9 . 1 1 89 89 VAL C C 89 174.700 174.700 174.481 0.219 18989 6272 1 9 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.286 -1.686 18989 6273 1 9 . 1 1 89 89 VAL CB C 89 37.000 37.000 34.183 2.817 18989 6274 1 9 . 1 1 90 90 LYS N N 90 123.600 123.600 124.095 -0.495 18989 6275 1 9 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.802 0.208 18989 6276 1 9 . 1 1 90 90 LYS C C 90 174.100 174.100 174.933 -0.833 18989 6277 1 9 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.132 -0.232 18989 6278 1 9 . 1 1 90 90 LYS CB C 90 36.300 36.300 35.479 0.821 18989 6279 1 9 . 1 1 91 91 TRP N N 91 124.600 124.600 123.862 0.738 18989 6280 1 9 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.899 0.201 18989 6281 1 9 . 1 1 91 91 TRP C C 91 174.600 174.600 174.259 0.341 18989 6282 1 9 . 1 1 91 91 TRP CA C 91 54.900 54.900 56.098 -1.198 18989 6283 1 9 . 1 1 91 91 TRP CB C 91 30.800 30.800 30.920 -0.120 18989 6284 1 9 . 1 1 92 92 ILE N N 92 118.000 118.000 122.688 -4.688 18989 6285 1 9 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.350 0.210 18989 6286 1 9 . 1 1 92 92 ILE C C 92 176.300 176.300 174.412 1.888 18989 6287 1 9 . 1 1 92 92 ILE CA C 92 60.800 60.800 58.899 1.901 18989 6288 1 9 . 1 1 92 92 ILE CB C 92 42.100 42.100 37.846 4.254 18989 6289 1 9 . 1 1 93 93 TYR N N 93 127.700 127.700 128.542 -0.842 18989 6290 1 9 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.006 0.844 18989 6291 1 9 . 1 1 93 93 TYR C C 93 175.300 175.300 175.198 0.102 18989 6292 1 9 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.926 0.174 18989 6293 1 9 . 1 1 93 93 TYR CB C 93 40.800 40.800 39.360 1.440 18989 6294 1 9 . 1 1 94 94 SER N N 94 117.900 117.900 118.448 -0.548 18989 6295 1 9 . 1 1 94 94 SER HA H 94 5.510 5.510 5.076 0.434 18989 6296 1 9 . 1 1 94 94 SER C C 94 172.700 172.700 173.466 -0.766 18989 6297 1 9 . 1 1 94 94 SER CA C 94 57.300 57.300 56.901 0.399 18989 6298 1 9 . 1 1 94 94 SER CB C 94 65.600 65.600 64.048 1.552 18989 6299 1 9 . 1 1 95 95 MET N N 95 119.600 119.600 128.032 -8.432 18989 6300 1 9 . 1 1 95 95 MET HA H 95 5.840 5.840 5.340 0.500 18989 6301 1 9 . 1 1 95 95 MET C C 95 173.800 173.800 174.914 -1.114 18989 6302 1 9 . 1 1 95 95 MET CA C 95 54.200 54.200 54.942 -0.742 18989 6303 1 9 . 1 1 95 95 MET CB C 95 37.400 37.400 36.442 0.958 18989 6304 1 9 . 1 1 96 96 GLU N N 96 119.100 119.100 125.041 -5.941 18989 6305 1 9 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.867 0.103 18989 6306 1 9 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.193 -0.293 18989 6307 1 9 . 1 1 96 96 GLU CB C 96 33.000 33.000 30.751 2.249 18989 6308 1 9 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.649 0.171 18989 6309 1 9 . 1 1 97 97 PRO C C 97 176.300 176.300 176.165 0.135 18989 6310 1 9 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.626 0.474 18989 6311 1 9 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.286 1.414 18989 6312 1 9 . 1 1 98 98 LEU N N 98 122.900 122.900 125.257 -2.357 18989 6313 1 9 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.380 0.150 18989 6314 1 9 . 1 1 98 98 LEU C C 98 176.200 176.200 178.869 -2.669 18989 6315 1 9 . 1 1 98 98 LEU CA C 98 54.200 54.200 54.523 -0.323 18989 6316 1 9 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.406 1.694 18989 6317 1 9 . 1 1 99 99 GLU N N 99 124.700 124.700 120.377 4.323 18989 6318 1 9 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.129 -0.269 18989 6319 1 9 . 1 1 99 99 GLU C C 99 176.900 176.900 176.540 0.360 18989 6320 1 9 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.176 1.324 18989 6321 1 9 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.627 -1.627 18989 6322 1 9 . 1 1 100 100 GLU N N 100 118.200 118.200 116.274 1.926 18989 6323 1 9 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.456 -0.026 18989 6324 1 9 . 1 1 100 100 GLU C C 100 176.200 176.200 176.356 -0.156 18989 6325 1 9 . 1 1 100 100 GLU CA C 100 56.400 56.400 55.739 0.661 18989 6326 1 9 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.394 -0.494 18989 6327 1 9 . 1 1 101 101 GLY N N 101 110.100 110.100 108.567 1.533 18989 6328 1 9 . 1 1 101 101 GLY C C 101 174.100 174.100 172.980 1.120 18989 6329 1 9 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.419 -0.419 18989 6330 1 9 . 1 1 102 102 THR N N 102 120.200 120.200 116.490 3.710 18989 6331 1 9 . 1 1 102 102 THR HA H 102 4.850 4.850 4.942 -0.092 18989 6332 1 9 . 1 1 102 102 THR C C 102 172.700 172.700 173.110 -0.410 18989 6333 1 9 . 1 1 102 102 THR CA C 102 63.700 63.700 62.100 1.600 18989 6334 1 9 . 1 1 102 102 THR CB C 102 73.600 73.600 72.563 1.037 18989 6335 1 9 . 1 1 103 103 VAL N N 103 125.600 125.600 127.145 -1.545 18989 6336 1 9 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.383 0.527 18989 6337 1 9 . 1 1 103 103 VAL C C 103 175.000 175.000 175.198 -0.198 18989 6338 1 9 . 1 1 103 103 VAL CA C 103 61.300 61.300 62.359 -1.059 18989 6339 1 9 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.888 0.812 18989 6340 1 9 . 1 1 104 104 LEU N N 104 133.900 133.900 131.295 2.605 18989 6341 1 9 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.838 0.302 18989 6342 1 9 . 1 1 104 104 LEU C C 104 173.800 173.800 175.412 -1.612 18989 6343 1 9 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.570 -1.270 18989 6344 1 9 . 1 1 104 104 LEU CB C 104 46.100 46.100 42.661 3.439 18989 6345 1 9 . 1 1 105 105 THR N N 105 124.400 124.400 123.993 0.407 18989 6346 1 9 . 1 1 105 105 THR HA H 105 5.210 5.210 5.035 0.175 18989 6347 1 9 . 1 1 105 105 THR C C 105 173.500 173.500 173.444 0.056 18989 6348 1 9 . 1 1 105 105 THR CA C 105 61.500 61.500 61.198 0.302 18989 6349 1 9 . 1 1 105 105 THR CB C 105 71.100 71.100 69.910 1.190 18989 6350 1 9 . 1 1 106 106 GLU N N 106 126.900 126.900 127.539 -0.639 18989 6351 1 9 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.915 0.445 18989 6352 1 9 . 1 1 106 106 GLU C C 106 173.400 173.400 175.431 -2.031 18989 6353 1 9 . 1 1 106 106 GLU CA C 106 54.400 54.400 53.859 0.541 18989 6354 1 9 . 1 1 106 106 GLU CB C 106 32.000 32.000 31.198 0.802 18989 6355 1 9 . 1 1 107 107 SER N N 107 120.800 120.800 116.294 4.506 18989 6356 1 9 . 1 1 107 107 SER HA H 107 5.470 5.470 4.634 0.836 18989 6357 1 9 . 1 1 107 107 SER C C 107 171.600 171.600 172.975 -1.375 18989 6358 1 9 . 1 1 107 107 SER CA C 107 56.000 56.000 57.800 -1.800 18989 6359 1 9 . 1 1 107 107 SER CB C 107 66.700 66.700 64.428 2.272 18989 6360 1 9 . 1 1 108 108 TRP N N 108 124.600 124.600 130.896 -6.296 18989 6361 1 9 . 1 1 108 108 TRP HA H 108 4.680 4.680 5.031 -0.351 18989 6362 1 9 . 1 1 108 108 TRP C C 108 175.000 175.000 174.394 0.606 18989 6363 1 9 . 1 1 108 108 TRP CA C 108 55.900 55.900 55.426 0.474 18989 6364 1 9 . 1 1 108 108 TRP CB C 108 33.600 33.600 31.556 2.044 18989 6365 1 9 . 1 1 109 109 GLU N N 109 127.200 127.200 129.637 -2.437 18989 6366 1 9 . 1 1 109 109 GLU HA H 109 4.500 4.500 3.980 0.520 18989 6367 1 9 . 1 1 109 109 GLU C C 109 172.300 172.300 174.065 -1.765 18989 6368 1 9 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.764 -0.664 18989 6369 1 9 . 1 1 109 109 GLU CB C 109 32.900 32.900 32.976 -0.076 18989 6370 1 9 . 1 1 110 110 PHE N N 110 129.400 129.400 128.461 0.939 18989 6371 1 9 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.817 -0.127 18989 6372 1 9 . 1 1 110 110 PHE C C 110 177.100 177.100 175.011 2.089 18989 6373 1 9 . 1 1 110 110 PHE CA C 110 54.000 54.000 57.473 -3.473 18989 6374 1 9 . 1 1 110 110 PHE CB C 110 38.500 38.500 41.361 -2.861 18989 6375 1 9 . 1 1 111 111 THR N N 111 117.800 117.800 117.453 0.347 18989 6376 1 9 . 1 1 111 111 THR HA H 111 4.510 4.510 4.673 -0.163 18989 6377 1 9 . 1 1 111 111 THR CA C 111 61.800 61.800 58.350 3.450 18989 6378 1 9 . 1 1 111 111 THR CB C 111 66.100 66.100 69.361 -3.261 18989 6379 1 9 . 1 1 113 113 LYS HA H 113 3.990 3.990 3.952 0.038 18989 6380 1 9 . 1 1 113 113 LYS C C 113 179.200 179.200 178.424 0.776 18989 6381 1 9 . 1 1 114 114 GLY N N 114 110.100 110.100 106.638 3.462 18989 6382 1 9 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.992 0.108 18989 6383 1 9 . 1 1 115 115 GLN N N 115 121.100 121.100 121.059 0.041 18989 6384 1 9 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.411 -0.401 18989 6385 1 9 . 1 1 115 115 GLN C C 115 178.000 178.000 178.896 -0.896 18989 6386 1 9 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.517 1.383 18989 6387 1 9 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.478 0.922 18989 6388 1 9 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.161 -0.021 18989 6389 1 9 . 1 1 116 116 ARG C C 116 177.900 177.900 178.385 -0.485 18989 6390 1 9 . 1 1 116 116 ARG CA C 116 59.500 59.500 58.611 0.889 18989 6391 1 9 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.575 0.425 18989 6392 1 9 . 1 1 117 117 PHE N N 117 120.800 120.800 120.854 -0.054 18989 6393 1 9 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.300 0.170 18989 6394 1 9 . 1 1 117 117 PHE C C 117 178.100 178.100 177.623 0.477 18989 6395 1 9 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.062 0.138 18989 6396 1 9 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.844 0.156 18989 6397 1 9 . 1 1 118 118 PHE N N 118 119.600 119.600 114.862 4.738 18989 6398 1 9 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.295 -0.065 18989 6399 1 9 . 1 1 118 118 PHE C C 118 178.500 178.500 178.028 0.472 18989 6400 1 9 . 1 1 118 118 PHE CA C 118 62.300 62.300 59.984 2.316 18989 6401 1 9 . 1 1 118 118 PHE CB C 118 39.200 39.200 37.821 1.379 18989 6402 1 9 . 1 1 119 119 HIS N N 119 120.900 120.900 120.674 0.226 18989 6403 1 9 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.962 -0.342 18989 6404 1 9 . 1 1 119 119 HIS C C 119 178.500 178.500 177.408 1.092 18989 6405 1 9 . 1 1 119 119 HIS CA C 119 59.900 59.900 58.646 1.254 18989 6406 1 9 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.500 -0.800 18989 6407 1 9 . 1 1 120 120 ASP N N 120 120.400 120.400 120.094 0.306 18989 6408 1 9 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.250 0.080 18989 6409 1 9 . 1 1 120 120 ASP C C 120 177.500 177.500 177.788 -0.288 18989 6410 1 9 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.769 0.431 18989 6411 1 9 . 1 1 120 120 ASP CB C 120 40.500 40.500 40.720 -0.220 18989 6412 1 9 . 1 1 121 121 LYS N N 121 118.100 118.100 118.849 -0.749 18989 6413 1 9 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.807 0.003 18989 6414 1 9 . 1 1 121 121 LYS C C 121 178.200 178.200 177.093 1.107 18989 6415 1 9 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.594 0.506 18989 6416 1 9 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.779 0.421 18989 6417 1 9 . 1 1 122 122 PHE N N 122 112.800 112.800 117.798 -4.998 18989 6418 1 9 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.722 -0.042 18989 6419 1 9 . 1 1 122 122 PHE C C 122 177.600 177.600 175.999 1.601 18989 6420 1 9 . 1 1 122 122 PHE CA C 122 58.100 58.100 56.331 1.769 18989 6421 1 9 . 1 1 122 122 PHE CB C 122 40.000 40.000 39.130 0.870 18989 6422 1 9 . 1 1 123 123 GLY N N 123 112.200 112.200 110.521 1.679 18989 6423 1 9 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.621 0.679 18989 6424 1 9 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.565 0.015 18989 6425 1 9 . 1 1 124 124 ASP C C 124 177.700 177.700 177.837 -0.137 18989 6426 1 9 . 1 1 124 124 ASP CA C 124 56.800 56.800 57.351 -0.551 18989 6427 1 9 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.690 -0.590 18989 6428 1 9 . 1 1 125 125 LYS N N 125 118.400 118.400 118.750 -0.350 18989 6429 1 9 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.458 0.212 18989 6430 1 9 . 1 1 125 125 LYS C C 125 177.100 177.100 177.811 -0.711 18989 6431 1 9 . 1 1 125 125 LYS CA C 125 56.000 56.000 57.230 -1.230 18989 6432 1 9 . 1 1 125 125 LYS CB C 125 32.300 32.300 31.622 0.678 18989 6433 1 9 . 1 1 126 126 SER N N 126 116.600 116.600 117.405 -0.805 18989 6434 1 9 . 1 1 126 126 SER HA H 126 3.830 3.830 4.391 -0.561 18989 6435 1 9 . 1 1 126 126 SER C C 126 175.700 175.700 175.943 -0.243 18989 6436 1 9 . 1 1 126 126 SER CA C 126 62.700 62.700 61.812 0.888 18989 6437 1 9 . 1 1 126 126 SER CB C 126 63.000 63.000 62.668 0.332 18989 6438 1 9 . 1 1 127 127 ILE N N 127 122.300 122.300 120.417 1.883 18989 6439 1 9 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.714 0.096 18989 6440 1 9 . 1 1 127 127 ILE C C 127 178.500 178.500 177.586 0.914 18989 6441 1 9 . 1 1 127 127 ILE CA C 127 65.000 65.000 65.220 -0.220 18989 6442 1 9 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.529 -0.730 18989 6443 1 9 . 1 1 128 128 GLU N N 128 120.500 120.500 119.459 1.041 18989 6444 1 9 . 1 1 128 128 GLU HA H 128 4.100 4.100 4.018 0.082 18989 6445 1 9 . 1 1 128 128 GLU C C 128 179.400 179.400 179.324 0.076 18989 6446 1 9 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.245 0.055 18989 6447 1 9 . 1 1 128 128 GLU CB C 128 29.700 29.700 28.930 0.770 18989 6448 1 9 . 1 1 129 129 GLU N N 129 118.800 118.800 120.203 -1.403 18989 6449 1 9 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.975 -0.065 18989 6450 1 9 . 1 1 129 129 GLU C C 129 179.900 179.900 178.909 0.991 18989 6451 1 9 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.916 0.084 18989 6452 1 9 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.417 -0.217 18989 6453 1 9 . 1 1 130 130 ILE N N 130 122.700 122.700 120.364 2.336 18989 6454 1 9 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.818 -0.338 18989 6455 1 9 . 1 1 130 130 ILE C C 130 177.600 177.600 177.977 -0.377 18989 6456 1 9 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.217 2.183 18989 6457 1 9 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.833 0.467 18989 6458 1 9 . 1 1 131 131 GLU N N 131 120.100 120.100 120.035 0.065 18989 6459 1 9 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.915 0.475 18989 6460 1 9 . 1 1 131 131 GLU C C 131 178.800 178.800 178.780 0.020 18989 6461 1 9 . 1 1 131 131 GLU CA C 131 58.600 58.600 60.076 -1.476 18989 6462 1 9 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.478 -0.578 18989 6463 1 9 . 1 1 132 132 LYS N N 132 118.300 118.300 118.823 -0.523 18989 6464 1 9 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.979 -0.019 18989 6465 1 9 . 1 1 132 132 LYS C C 132 180.400 180.400 179.484 0.916 18989 6466 1 9 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.585 0.715 18989 6467 1 9 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.438 0.262 18989 6468 1 9 . 1 1 133 133 ARG N N 133 118.400 118.400 116.995 1.405 18989 6469 1 9 . 1 1 133 133 ARG HA H 133 4.060 4.060 4.039 0.021 18989 6470 1 9 . 1 1 133 133 ARG C C 133 178.600 178.600 178.439 0.161 18989 6471 1 9 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.699 -0.699 18989 6472 1 9 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.949 -0.549 18989 6473 1 9 . 1 1 134 134 ARG N N 134 122.500 122.500 120.585 1.915 18989 6474 1 9 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.262 -0.652 18989 6475 1 9 . 1 1 134 134 ARG C C 134 177.600 177.600 177.850 -0.250 18989 6476 1 9 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.075 0.326 18989 6477 1 9 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.635 0.365 18989 6478 1 9 . 1 1 135 135 LEU N N 135 118.200 118.200 119.617 -1.417 18989 6479 1 9 . 1 1 135 135 LEU HA H 135 3.810 3.810 4.068 -0.258 18989 6480 1 9 . 1 1 135 135 LEU C C 135 179.700 179.700 179.055 0.645 18989 6481 1 9 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.723 -0.023 18989 6482 1 9 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.788 -0.388 18989 6483 1 9 . 1 1 136 136 ALA N N 136 120.400 120.400 120.668 -0.268 18989 6484 1 9 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.961 0.069 18989 6485 1 9 . 1 1 136 136 ALA C C 136 180.500 180.500 178.383 2.117 18989 6486 1 9 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.971 -0.271 18989 6487 1 9 . 1 1 136 136 ALA CB C 136 18.100 18.100 18.092 0.008 18989 6488 1 9 . 1 1 137 137 ALA N N 137 123.200 123.200 121.372 1.828 18989 6489 1 9 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.903 -0.003 18989 6490 1 9 . 1 1 137 137 ALA C C 137 178.700 178.700 179.343 -0.643 18989 6491 1 9 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.079 1.221 18989 6492 1 9 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.883 -2.083 18989 6493 1 9 . 1 1 138 138 ILE N N 138 115.400 115.400 117.544 -2.144 18989 6494 1 9 . 1 1 138 138 ILE HA H 138 2.830 2.830 2.823 0.007 18989 6495 1 9 . 1 1 138 138 ILE C C 138 177.800 177.800 177.390 0.410 18989 6496 1 9 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.172 0.028 18989 6497 1 9 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.672 -0.272 18989 6498 1 9 . 1 1 139 139 THR N N 139 109.500 109.500 114.870 -5.370 18989 6499 1 9 . 1 1 139 139 THR HA H 139 4.150 4.150 4.102 0.048 18989 6500 1 9 . 1 1 139 139 THR C C 139 177.300 177.300 176.293 1.007 18989 6501 1 9 . 1 1 139 139 THR CA C 139 64.000 64.000 66.183 -2.183 18989 6502 1 9 . 1 1 139 139 THR CB C 139 69.600 69.600 68.706 0.894 18989 6503 1 9 . 1 1 140 140 GLY N N 140 110.800 110.800 110.194 0.606 18989 6504 1 9 . 1 1 140 140 GLY C C 140 176.700 176.700 175.937 0.763 18989 6505 1 9 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.495 0.305 18989 6506 1 9 . 1 1 141 141 ILE N N 141 122.700 122.700 122.226 0.474 18989 6507 1 9 . 1 1 141 141 ILE HA H 141 4.160 4.160 3.983 0.177 18989 6508 1 9 . 1 1 141 141 ILE CA C 141 68.300 68.300 67.137 1.163 18989 6509 1 9 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.140 0.160 18989 6510 1 9 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.367 -0.017 18989 6511 1 9 . 1 1 142 142 PRO C C 142 179.300 179.300 179.263 0.037 18989 6512 1 9 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.981 0.719 18989 6513 1 9 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.022 0.178 18989 6514 1 9 . 1 1 143 143 GLU N N 143 113.900 113.900 119.706 -5.806 18989 6515 1 9 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.091 0.079 18989 6516 1 9 . 1 1 143 143 GLU C C 143 179.600 179.600 179.263 0.337 18989 6517 1 9 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.388 -0.088 18989 6518 1 9 . 1 1 143 143 GLU CB C 143 30.000 30.000 28.844 1.156 18989 6519 1 9 . 1 1 144 144 THR N N 144 119.900 119.900 117.524 2.376 18989 6520 1 9 . 1 1 144 144 THR HA H 144 4.290 4.290 4.042 0.248 18989 6521 1 9 . 1 1 144 144 THR C C 144 175.800 175.800 176.940 -1.140 18989 6522 1 9 . 1 1 144 144 THR CA C 144 67.000 67.000 66.114 0.886 18989 6523 1 9 . 1 1 144 144 THR CB C 144 69.500 69.500 68.835 0.665 18989 6524 1 9 . 1 1 145 145 LEU N N 145 120.300 120.300 122.819 -2.519 18989 6525 1 9 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.211 -0.301 18989 6526 1 9 . 1 1 145 145 LEU C C 145 178.700 178.700 178.447 0.253 18989 6527 1 9 . 1 1 145 145 LEU CA C 145 58.600 58.600 58.021 0.579 18989 6528 1 9 . 1 1 145 145 LEU CB C 145 40.500 40.500 41.339 -0.839 18989 6529 1 9 . 1 1 146 146 VAL N N 146 117.600 117.600 118.643 -1.043 18989 6530 1 9 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.626 0.054 18989 6531 1 9 . 1 1 146 146 VAL C C 146 177.700 177.700 178.086 -0.386 18989 6532 1 9 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.459 -0.359 18989 6533 1 9 . 1 1 146 146 VAL CB C 146 32.000 32.000 31.432 0.568 18989 6534 1 9 . 1 1 147 147 ALA N N 147 123.600 123.600 122.771 0.829 18989 6535 1 9 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.034 0.196 18989 6536 1 9 . 1 1 147 147 ALA C C 147 180.400 180.400 179.591 0.809 18989 6537 1 9 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.267 0.332 18989 6538 1 9 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.079 0.721 18989 6539 1 9 . 1 1 148 148 ILE N N 148 119.600 119.600 119.683 -0.083 18989 6540 1 9 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.536 -0.226 18989 6541 1 9 . 1 1 148 148 ILE C C 148 177.100 177.100 177.813 -0.713 18989 6542 1 9 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.462 0.838 18989 6543 1 9 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.830 0.370 18989 6544 1 9 . 1 1 149 149 GLN N N 149 119.200 119.200 119.283 -0.083 18989 6545 1 9 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.919 -0.249 18989 6546 1 9 . 1 1 149 149 GLN C C 149 178.000 178.000 177.963 0.037 18989 6547 1 9 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.444 0.656 18989 6548 1 9 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.557 1.043 18989 6549 1 9 . 1 1 150 150 ARG N N 150 120.500 120.500 119.926 0.574 18989 6550 1 9 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.034 0.016 18989 6551 1 9 . 1 1 150 150 ARG C C 150 179.000 179.000 178.816 0.184 18989 6552 1 9 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.248 0.051 18989 6553 1 9 . 1 1 150 150 ARG CB C 150 30.000 30.000 30.090 -0.090 18989 6554 1 9 . 1 1 151 151 ILE N N 151 119.100 119.100 119.727 -0.627 18989 6555 1 9 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.788 -0.138 18989 6556 1 9 . 1 1 151 151 ILE C C 151 178.500 178.500 177.375 1.125 18989 6557 1 9 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.551 0.749 18989 6558 1 9 . 1 1 151 151 ILE CB C 151 39.000 39.000 38.196 0.804 18989 6559 1 9 . 1 1 152 152 LEU N N 152 117.100 117.100 118.740 -1.640 18989 6560 1 9 . 1 1 152 152 LEU HA H 152 4.080 4.080 4.121 -0.041 18989 6561 1 9 . 1 1 152 152 LEU C C 152 178.700 178.700 178.537 0.163 18989 6562 1 9 . 1 1 152 152 LEU CA C 152 57.000 57.000 58.004 -1.004 18989 6563 1 9 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.034 1.866 18989 6564 1 9 . 1 1 153 153 GLU N N 153 117.800 117.800 120.126 -2.326 18989 6565 1 9 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.992 0.178 18989 6566 1 9 . 1 1 153 153 GLU C C 153 178.300 178.300 179.201 -0.901 18989 6567 1 9 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.165 -0.465 18989 6568 1 9 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.625 -0.325 18989 6569 1 9 . 1 1 154 154 VAL N N 154 119.500 119.500 119.283 0.217 18989 6570 1 9 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.555 0.445 18989 6571 1 9 . 1 1 154 154 VAL C C 154 177.500 177.500 177.818 -0.318 18989 6572 1 9 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.802 -2.102 18989 6573 1 9 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.380 0.820 18989 6574 1 9 . 1 1 155 155 GLU N N 155 121.300 121.300 118.228 3.072 18989 6575 1 9 . 1 1 155 155 GLU HA H 155 4.180 4.180 3.996 0.184 18989 6576 1 9 . 1 1 155 155 GLU C C 155 177.600 177.600 177.617 -0.017 18989 6577 1 9 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.615 -0.615 18989 6578 1 9 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.585 0.115 18989 6579 1 9 . 1 1 156 156 LEU N N 156 120.800 120.800 117.770 3.030 18989 6580 1 9 . 1 1 156 156 LEU HA H 156 4.230 4.230 3.842 0.388 18989 6581 1 9 . 1 1 156 156 LEU C C 156 178.000 178.000 178.539 -0.539 18989 6582 1 9 . 1 1 156 156 LEU CA C 156 56.200 56.200 56.639 -0.439 18989 6583 1 9 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.085 0.215 18989 6584 1 9 . 1 1 157 157 GLU N N 157 119.700 119.700 116.318 3.382 18989 6585 1 9 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.196 -0.066 18989 6586 1 9 . 1 1 157 157 GLU C C 157 177.000 177.000 177.431 -0.431 18989 6587 1 9 . 1 1 157 157 GLU CA C 157 57.400 57.400 57.696 -0.296 18989 6588 1 9 . 1 1 157 157 GLU CB C 157 29.800 29.800 29.824 -0.024 18989 6589 1 9 . 1 1 158 158 HIS N N 158 117.700 117.700 117.526 0.174 18989 6590 1 9 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.748 -0.118 18989 6591 1 9 . 1 1 158 158 HIS C C 158 173.900 173.900 175.163 -1.263 18989 6592 1 9 . 1 1 158 158 HIS CA C 158 56.000 56.000 54.368 1.632 18989 6593 1 9 . 1 1 158 158 HIS CB C 158 30.000 30.000 31.213 -1.213 18989 6594 1 9 . 1 1 159 159 HIS N N 159 125.200 125.200 119.361 5.839 18989 6595 1 9 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.496 -0.056 18989 6596 1 9 . 1 1 159 159 HIS CA C 159 57.300 57.300 56.213 1.087 18989 6597 1 9 . 1 1 159 159 HIS CB C 159 28.800 28.800 28.062 0.738 18989 6598 1 10 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.501 -0.101 18989 6599 1 10 . 1 1 2 2 PRO CA C 2 62.400 62.400 62.819 -0.419 18989 6600 1 10 . 1 1 2 2 PRO CB C 2 32.800 32.800 29.932 2.868 18989 6601 1 10 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.400 0.080 18989 6602 1 10 . 1 1 3 3 LYS C C 3 176.600 176.600 176.205 0.395 18989 6603 1 10 . 1 1 3 3 LYS CA C 3 55.900 55.900 55.411 0.489 18989 6604 1 10 . 1 1 3 3 LYS CB C 3 34.200 34.200 33.004 1.196 18989 6605 1 10 . 1 1 4 4 SER N N 4 117.800 117.800 114.401 3.399 18989 6606 1 10 . 1 1 4 4 SER HA H 4 4.220 4.220 4.423 -0.203 18989 6607 1 10 . 1 1 4 4 SER C C 4 174.100 174.100 174.474 -0.374 18989 6608 1 10 . 1 1 4 4 SER CA C 4 59.700 59.700 57.397 2.304 18989 6609 1 10 . 1 1 4 4 SER CB C 4 63.700 63.700 63.944 -0.244 18989 6610 1 10 . 1 1 5 5 LEU N N 5 124.700 124.700 120.594 4.106 18989 6611 1 10 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.528 0.272 18989 6612 1 10 . 1 1 5 5 LEU C C 5 175.500 175.500 175.883 -0.383 18989 6613 1 10 . 1 1 5 5 LEU CA C 5 54.000 54.000 55.430 -1.430 18989 6614 1 10 . 1 1 5 5 LEU CB C 5 43.200 43.200 41.108 2.092 18989 6615 1 10 . 1 1 6 6 THR N N 6 111.200 111.200 113.016 -1.816 18989 6616 1 10 . 1 1 6 6 THR HA H 6 5.620 5.620 4.443 1.177 18989 6617 1 10 . 1 1 6 6 THR C C 6 174.500 174.500 172.611 1.889 18989 6618 1 10 . 1 1 6 6 THR CA C 6 59.700 59.700 60.371 -0.671 18989 6619 1 10 . 1 1 6 6 THR CB C 6 73.000 73.000 71.928 1.072 18989 6620 1 10 . 1 1 7 7 PHE N N 7 120.700 120.700 118.597 2.103 18989 6621 1 10 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.847 -0.097 18989 6622 1 10 . 1 1 7 7 PHE C C 7 172.100 172.100 173.027 -0.927 18989 6623 1 10 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.324 1.976 18989 6624 1 10 . 1 1 7 7 PHE CB C 7 43.500 43.500 42.993 0.507 18989 6625 1 10 . 1 1 8 8 GLU N N 8 122.100 122.100 122.086 0.014 18989 6626 1 10 . 1 1 8 8 GLU HA H 8 5.380 5.380 4.563 0.817 18989 6627 1 10 . 1 1 8 8 GLU C C 8 172.500 172.500 173.772 -1.272 18989 6628 1 10 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.860 -0.360 18989 6629 1 10 . 1 1 8 8 GLU CB C 8 33.500 33.500 32.920 0.580 18989 6630 1 10 . 1 1 9 9 ASP N N 9 117.400 117.400 118.832 -1.432 18989 6631 1 10 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.745 0.075 18989 6632 1 10 . 1 1 9 9 ASP C C 9 173.500 173.500 173.574 -0.074 18989 6633 1 10 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.683 -0.583 18989 6634 1 10 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.048 1.052 18989 6635 1 10 . 1 1 10 10 SER N N 10 113.600 113.600 116.533 -2.933 18989 6636 1 10 . 1 1 10 10 SER HA H 10 5.990 5.990 5.726 0.264 18989 6637 1 10 . 1 1 10 10 SER C C 10 172.600 172.600 172.683 -0.083 18989 6638 1 10 . 1 1 10 10 SER CA C 10 57.300 57.300 57.005 0.295 18989 6639 1 10 . 1 1 10 10 SER CB C 10 68.100 68.100 65.790 2.310 18989 6640 1 10 . 1 1 11 11 ILE N N 11 122.700 122.700 123.893 -1.193 18989 6641 1 10 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.408 0.112 18989 6642 1 10 . 1 1 11 11 ILE C C 11 171.300 171.300 173.255 -1.955 18989 6643 1 10 . 1 1 11 11 ILE CA C 11 61.000 61.000 61.053 -0.053 18989 6644 1 10 . 1 1 11 11 ILE CB C 11 43.400 43.400 41.921 1.479 18989 6645 1 10 . 1 1 12 12 ASN N N 12 124.600 124.600 126.744 -2.144 18989 6646 1 10 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.963 0.317 18989 6647 1 10 . 1 1 12 12 ASN C C 12 174.700 174.700 174.969 -0.269 18989 6648 1 10 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.591 -0.291 18989 6649 1 10 . 1 1 12 12 ASN CB C 12 38.600 38.600 37.863 0.737 18989 6650 1 10 . 1 1 13 13 ILE N N 13 122.900 122.900 125.882 -2.982 18989 6651 1 10 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.195 0.255 18989 6652 1 10 . 1 1 13 13 ILE C C 13 175.300 175.300 175.228 0.072 18989 6653 1 10 . 1 1 13 13 ILE CA C 13 60.300 60.300 60.751 -0.451 18989 6654 1 10 . 1 1 13 13 ILE CB C 13 41.600 41.600 38.834 2.766 18989 6655 1 10 . 1 1 14 14 ALA N N 14 136.600 136.600 132.269 4.331 18989 6656 1 10 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.369 0.331 18989 6657 1 10 . 1 1 14 14 ALA C C 14 175.100 175.100 175.936 -0.836 18989 6658 1 10 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.968 -0.968 18989 6659 1 10 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.528 -1.228 18989 6660 1 10 . 1 1 15 15 ALA N N 15 122.100 122.100 125.333 -3.233 18989 6661 1 10 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.766 -0.006 18989 6662 1 10 . 1 1 15 15 ALA CA C 15 50.000 50.000 50.261 -0.261 18989 6663 1 10 . 1 1 15 15 ALA CB C 15 21.100 21.100 21.248 -0.148 18989 6664 1 10 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.634 -0.024 18989 6665 1 10 . 1 1 16 16 PRO C C 16 179.200 179.200 177.458 1.742 18989 6666 1 10 . 1 1 16 16 PRO CA C 16 62.100 62.100 63.011 -0.911 18989 6667 1 10 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.845 0.255 18989 6668 1 10 . 1 1 17 17 ILE N N 17 124.400 124.400 124.301 0.099 18989 6669 1 10 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.731 0.259 18989 6670 1 10 . 1 1 17 17 ILE C C 17 175.800 175.800 176.772 -0.972 18989 6671 1 10 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.632 1.068 18989 6672 1 10 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.258 0.442 18989 6673 1 10 . 1 1 18 18 ASN N N 18 117.200 117.200 117.922 -0.722 18989 6674 1 10 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.380 0.310 18989 6675 1 10 . 1 1 18 18 ASN C C 18 178.700 178.700 177.706 0.994 18989 6676 1 10 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.411 -0.611 18989 6677 1 10 . 1 1 18 18 ASN CB C 18 37.100 37.100 38.017 -0.918 18989 6678 1 10 . 1 1 19 19 GLN N N 19 120.300 120.300 118.152 2.148 18989 6679 1 10 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.416 -0.296 18989 6680 1 10 . 1 1 19 19 GLN C C 19 178.500 178.500 178.013 0.487 18989 6681 1 10 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.118 0.182 18989 6682 1 10 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.466 -0.166 18989 6683 1 10 . 1 1 20 20 VAL N N 20 120.300 120.300 122.176 -1.876 18989 6684 1 10 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.572 -0.122 18989 6685 1 10 . 1 1 20 20 VAL C C 20 177.500 177.500 177.859 -0.359 18989 6686 1 10 . 1 1 20 20 VAL CA C 20 66.200 66.200 67.117 -0.917 18989 6687 1 10 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.770 -0.870 18989 6688 1 10 . 1 1 21 21 TYR N N 21 118.800 118.800 119.623 -0.823 18989 6689 1 10 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.028 -0.448 18989 6690 1 10 . 1 1 21 21 TYR C C 21 177.800 177.800 176.704 1.096 18989 6691 1 10 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.551 1.349 18989 6692 1 10 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.448 -0.048 18989 6693 1 10 . 1 1 22 22 ALA N N 22 120.400 120.400 120.568 -0.168 18989 6694 1 10 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.954 -0.195 18989 6695 1 10 . 1 1 22 22 ALA C C 22 178.000 178.000 178.160 -0.160 18989 6696 1 10 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.134 0.566 18989 6697 1 10 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.258 0.242 18989 6698 1 10 . 1 1 23 23 LEU N N 23 116.400 116.400 117.753 -1.353 18989 6699 1 10 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.250 -0.020 18989 6700 1 10 . 1 1 23 23 LEU C C 23 177.200 177.200 177.843 -0.643 18989 6701 1 10 . 1 1 23 23 LEU CA C 23 58.000 58.000 55.541 2.458 18989 6702 1 10 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.357 1.043 18989 6703 1 10 . 1 1 24 24 VAL N N 24 128.600 128.600 117.244 11.356 18989 6704 1 10 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.741 -0.381 18989 6705 1 10 . 1 1 24 24 VAL C C 24 175.200 175.200 176.179 -0.979 18989 6706 1 10 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.585 -0.285 18989 6707 1 10 . 1 1 24 24 VAL CB C 24 30.800 30.800 32.283 -1.484 18989 6708 1 10 . 1 1 25 25 SER N N 25 108.500 108.500 112.865 -4.365 18989 6709 1 10 . 1 1 25 25 SER HA H 25 2.520 2.520 4.141 -1.621 18989 6710 1 10 . 1 1 25 25 SER CA C 25 58.200 58.200 57.623 0.577 18989 6711 1 10 . 1 1 25 25 SER CB C 25 63.600 63.600 64.504 -0.904 18989 6712 1 10 . 1 1 26 26 ASP HA H 26 4.910 4.910 3.752 1.158 18989 6713 1 10 . 1 1 26 26 ASP C C 26 175.500 175.500 175.852 -0.352 18989 6714 1 10 . 1 1 26 26 ASP CA C 26 51.200 51.200 54.462 -3.262 18989 6715 1 10 . 1 1 26 26 ASP CB C 26 38.100 38.100 40.375 -2.275 18989 6716 1 10 . 1 1 27 27 ILE N N 27 123.500 123.500 115.514 7.986 18989 6717 1 10 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.102 -0.712 18989 6718 1 10 . 1 1 27 27 ILE C C 27 178.900 178.900 175.689 3.211 18989 6719 1 10 . 1 1 27 27 ILE CA C 27 61.700 61.700 61.048 0.652 18989 6720 1 10 . 1 1 27 27 ILE CB C 27 36.600 36.600 38.429 -1.829 18989 6721 1 10 . 1 1 28 28 THR N N 28 112.500 112.500 113.143 -0.643 18989 6722 1 10 . 1 1 28 28 THR HA H 28 4.350 4.350 4.335 0.015 18989 6723 1 10 . 1 1 28 28 THR C C 28 176.500 176.500 174.797 1.703 18989 6724 1 10 . 1 1 28 28 THR CA C 28 64.000 64.000 61.806 2.194 18989 6725 1 10 . 1 1 28 28 THR CB C 28 68.600 68.600 68.121 0.479 18989 6726 1 10 . 1 1 29 29 ARG N N 29 121.100 121.100 123.416 -2.316 18989 6727 1 10 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.543 -0.263 18989 6728 1 10 . 1 1 29 29 ARG CA C 29 56.200 56.200 55.520 0.680 18989 6729 1 10 . 1 1 29 29 ARG CB C 29 30.600 30.600 32.148 -1.548 18989 6730 1 10 . 1 1 30 30 THR HA H 30 5.870 5.870 4.933 0.937 18989 6731 1 10 . 1 1 30 30 THR C C 30 174.000 174.000 173.826 0.174 18989 6732 1 10 . 1 1 30 30 THR CA C 30 66.000 66.000 62.118 3.882 18989 6733 1 10 . 1 1 30 30 THR CB C 30 69.400 69.400 71.362 -1.962 18989 6734 1 10 . 1 1 31 31 GLY N N 31 106.200 106.200 112.174 -5.974 18989 6735 1 10 . 1 1 31 31 GLY C C 31 175.200 175.200 173.830 1.370 18989 6736 1 10 . 1 1 31 31 GLY CA C 31 46.200 46.200 45.737 0.463 18989 6737 1 10 . 1 1 32 32 GLU N N 32 118.400 118.400 122.371 -3.971 18989 6738 1 10 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.356 -0.386 18989 6739 1 10 . 1 1 32 32 GLU C C 32 177.500 177.500 177.013 0.487 18989 6740 1 10 . 1 1 32 32 GLU CA C 32 58.800 58.800 54.217 4.583 18989 6741 1 10 . 1 1 32 32 GLU CB C 32 29.800 29.800 28.414 1.386 18989 6742 1 10 . 1 1 33 33 TRP N N 33 113.200 113.200 121.566 -8.366 18989 6743 1 10 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.424 0.516 18989 6744 1 10 . 1 1 33 33 TRP C C 33 175.300 175.300 175.732 -0.432 18989 6745 1 10 . 1 1 33 33 TRP CA C 33 56.400 56.400 57.986 -1.586 18989 6746 1 10 . 1 1 33 33 TRP CB C 33 30.600 30.600 26.633 3.967 18989 6747 1 10 . 1 1 34 34 SER N N 34 118.600 118.600 114.185 4.415 18989 6748 1 10 . 1 1 34 34 SER HA H 34 4.930 4.930 4.647 0.283 18989 6749 1 10 . 1 1 34 34 SER CA C 34 54.700 54.700 57.291 -2.591 18989 6750 1 10 . 1 1 34 34 SER CB C 34 63.000 63.000 62.994 0.006 18989 6751 1 10 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.253 0.207 18989 6752 1 10 . 1 1 35 35 PRO C C 35 177.100 177.100 177.193 -0.093 18989 6753 1 10 . 1 1 35 35 PRO CA C 35 64.500 64.500 65.585 -1.085 18989 6754 1 10 . 1 1 35 35 PRO CB C 35 32.300 32.300 31.812 0.488 18989 6755 1 10 . 1 1 36 36 VAL N N 36 113.900 113.900 107.114 6.786 18989 6756 1 10 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.715 -0.615 18989 6757 1 10 . 1 1 36 36 VAL C C 36 174.200 174.200 175.172 -0.972 18989 6758 1 10 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.534 0.366 18989 6759 1 10 . 1 1 36 36 VAL CB C 36 32.500 32.500 32.438 0.062 18989 6760 1 10 . 1 1 37 37 CYS N N 37 121.000 121.000 120.708 0.292 18989 6761 1 10 . 1 1 37 37 CYS HA H 37 4.460 4.460 5.083 -0.623 18989 6762 1 10 . 1 1 37 37 CYS C C 37 173.600 173.600 174.441 -0.841 18989 6763 1 10 . 1 1 37 37 CYS CA C 37 58.500 58.500 57.447 1.053 18989 6764 1 10 . 1 1 37 37 CYS CB C 37 27.000 27.000 28.696 -1.696 18989 6765 1 10 . 1 1 38 38 GLU N N 38 129.300 129.300 126.595 2.705 18989 6766 1 10 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.066 0.074 18989 6767 1 10 . 1 1 38 38 GLU C C 38 176.500 176.500 175.582 0.918 18989 6768 1 10 . 1 1 38 38 GLU CA C 38 57.900 57.900 59.146 -1.246 18989 6769 1 10 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.353 1.447 18989 6770 1 10 . 1 1 39 39 LYS N N 39 117.100 117.100 115.278 1.822 18989 6771 1 10 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.770 -0.300 18989 6772 1 10 . 1 1 39 39 LYS C C 39 173.600 173.600 174.454 -0.854 18989 6773 1 10 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.063 0.737 18989 6774 1 10 . 1 1 39 39 LYS CB C 39 36.500 36.500 36.885 -0.385 18989 6775 1 10 . 1 1 40 40 CYS N N 40 125.100 125.100 120.187 4.913 18989 6776 1 10 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.234 0.176 18989 6777 1 10 . 1 1 40 40 CYS C C 40 173.000 173.000 174.004 -1.004 18989 6778 1 10 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.757 -0.657 18989 6779 1 10 . 1 1 40 40 CYS CB C 40 30.100 30.100 28.737 1.363 18989 6780 1 10 . 1 1 41 41 TRP N N 41 124.300 124.300 127.532 -3.232 18989 6781 1 10 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.961 -0.131 18989 6782 1 10 . 1 1 41 41 TRP C C 41 174.100 174.100 173.837 0.263 18989 6783 1 10 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.179 0.121 18989 6784 1 10 . 1 1 41 41 TRP CB C 41 32.400 32.400 32.518 -0.118 18989 6785 1 10 . 1 1 42 42 TRP N N 42 123.700 123.700 127.454 -3.754 18989 6786 1 10 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.831 -0.001 18989 6787 1 10 . 1 1 42 42 TRP C C 42 178.200 178.200 176.835 1.365 18989 6788 1 10 . 1 1 42 42 TRP CA C 42 57.000 57.000 56.613 0.387 18989 6789 1 10 . 1 1 42 42 TRP CB C 42 31.600 31.600 32.248 -0.648 18989 6790 1 10 . 1 1 43 43 ASP N N 43 124.400 124.400 121.225 3.175 18989 6791 1 10 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.663 0.017 18989 6792 1 10 . 1 1 43 43 ASP C C 43 176.300 176.300 177.711 -1.411 18989 6793 1 10 . 1 1 43 43 ASP CA C 43 56.300 56.300 57.075 -0.775 18989 6794 1 10 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.610 -0.310 18989 6795 1 10 . 1 1 44 44 GLU N N 44 119.400 119.400 120.030 -0.630 18989 6796 1 10 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.125 0.145 18989 6797 1 10 . 1 1 44 44 GLU C C 44 176.500 176.500 178.388 -1.888 18989 6798 1 10 . 1 1 44 44 GLU CA C 44 57.600 57.600 59.483 -1.883 18989 6799 1 10 . 1 1 44 44 GLU CB C 44 30.200 30.200 29.186 1.014 18989 6800 1 10 . 1 1 45 45 ASP N N 45 118.300 118.300 118.085 0.215 18989 6801 1 10 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.456 0.024 18989 6802 1 10 . 1 1 45 45 ASP C C 45 175.900 175.900 178.016 -2.116 18989 6803 1 10 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.467 -0.467 18989 6804 1 10 . 1 1 45 45 ASP CB C 45 40.200 40.200 41.040 -0.840 18989 6805 1 10 . 1 1 46 46 GLU N N 46 118.200 118.200 117.492 0.708 18989 6806 1 10 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.396 0.064 18989 6807 1 10 . 1 1 46 46 GLU C C 46 175.200 175.200 176.960 -1.760 18989 6808 1 10 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.944 -0.344 18989 6809 1 10 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.753 0.047 18989 6810 1 10 . 1 1 47 47 GLY N N 47 106.400 106.400 108.426 -2.026 18989 6811 1 10 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.295 -0.695 18989 6812 1 10 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.832 -0.242 18989 6813 1 10 . 1 1 48 48 PRO C C 48 173.400 173.400 176.137 -2.737 18989 6814 1 10 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.826 0.274 18989 6815 1 10 . 1 1 48 48 PRO CB C 48 29.100 29.100 30.962 -1.862 18989 6816 1 10 . 1 1 49 49 VAL N N 49 121.900 121.900 118.337 3.563 18989 6817 1 10 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.622 -0.012 18989 6818 1 10 . 1 1 49 49 VAL C C 49 175.100 175.100 175.318 -0.218 18989 6819 1 10 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.947 0.353 18989 6820 1 10 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.279 1.221 18989 6821 1 10 . 1 1 50 50 VAL N N 50 121.700 121.700 123.954 -2.254 18989 6822 1 10 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.839 -0.539 18989 6823 1 10 . 1 1 50 50 VAL C C 50 177.400 177.400 176.650 0.750 18989 6824 1 10 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.385 2.815 18989 6825 1 10 . 1 1 50 50 VAL CB C 50 31.300 31.300 31.864 -0.564 18989 6826 1 10 . 1 1 51 51 GLY N N 51 115.800 115.800 116.954 -1.154 18989 6827 1 10 . 1 1 51 51 GLY C C 51 174.200 174.200 173.966 0.234 18989 6828 1 10 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.582 0.018 18989 6829 1 10 . 1 1 52 52 ALA N N 52 123.000 123.000 125.863 -2.863 18989 6830 1 10 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.205 0.345 18989 6831 1 10 . 1 1 52 52 ALA C C 52 177.300 177.300 175.467 1.833 18989 6832 1 10 . 1 1 52 52 ALA CA C 52 52.800 52.800 52.482 0.318 18989 6833 1 10 . 1 1 52 52 ALA CB C 52 23.100 23.100 20.257 2.843 18989 6834 1 10 . 1 1 53 53 HIS N N 53 115.900 115.900 113.892 2.008 18989 6835 1 10 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.484 0.536 18989 6836 1 10 . 1 1 53 53 HIS C C 53 174.200 174.200 173.166 1.034 18989 6837 1 10 . 1 1 53 53 HIS CA C 53 55.200 55.200 53.297 1.903 18989 6838 1 10 . 1 1 53 53 HIS CB C 53 32.100 32.100 31.802 0.298 18989 6839 1 10 . 1 1 54 54 PHE N N 54 115.800 115.800 114.864 0.936 18989 6840 1 10 . 1 1 54 54 PHE HA H 54 5.150 5.150 5.090 0.060 18989 6841 1 10 . 1 1 54 54 PHE C C 54 172.600 172.600 173.052 -0.452 18989 6842 1 10 . 1 1 54 54 PHE CA C 54 55.500 55.500 56.203 -0.703 18989 6843 1 10 . 1 1 54 54 PHE CB C 54 41.700 41.700 41.569 0.131 18989 6844 1 10 . 1 1 55 55 THR N N 55 118.300 118.300 114.750 3.550 18989 6845 1 10 . 1 1 55 55 THR HA H 55 4.770 4.770 5.385 -0.615 18989 6846 1 10 . 1 1 55 55 THR C C 55 171.800 171.800 173.228 -1.428 18989 6847 1 10 . 1 1 55 55 THR CA C 55 61.000 61.000 60.048 0.952 18989 6848 1 10 . 1 1 55 55 THR CB C 55 70.200 70.200 71.655 -1.455 18989 6849 1 10 . 1 1 56 56 GLY N N 56 110.500 110.500 110.772 -0.272 18989 6850 1 10 . 1 1 56 56 GLY C C 56 171.100 171.100 171.954 -0.854 18989 6851 1 10 . 1 1 56 56 GLY CA C 56 44.300 44.300 45.223 -0.923 18989 6852 1 10 . 1 1 57 57 ARG N N 57 123.800 123.800 126.544 -2.744 18989 6853 1 10 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.499 0.161 18989 6854 1 10 . 1 1 57 57 ARG C C 57 172.900 172.900 174.927 -2.027 18989 6855 1 10 . 1 1 57 57 ARG CA C 57 55.300 55.300 55.032 0.268 18989 6856 1 10 . 1 1 57 57 ARG CB C 57 32.500 32.500 31.276 1.224 18989 6857 1 10 . 1 1 58 58 ASN N N 58 127.200 127.200 125.237 1.963 18989 6858 1 10 . 1 1 58 58 ASN HA H 58 5.060 5.060 4.859 0.201 18989 6859 1 10 . 1 1 58 58 ASN C C 58 173.100 173.100 173.329 -0.229 18989 6860 1 10 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.480 -1.580 18989 6861 1 10 . 1 1 58 58 ASN CB C 58 38.800 38.800 40.957 -2.157 18989 6862 1 10 . 1 1 59 59 VAL N N 59 121.400 121.400 125.752 -4.352 18989 6863 1 10 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.550 0.130 18989 6864 1 10 . 1 1 59 59 VAL C C 59 175.100 175.100 173.725 1.375 18989 6865 1 10 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.027 2.373 18989 6866 1 10 . 1 1 59 59 VAL CB C 59 35.800 35.800 33.652 2.148 18989 6867 1 10 . 1 1 60 60 THR N N 60 118.000 118.000 120.132 -2.132 18989 6868 1 10 . 1 1 60 60 THR HA H 60 5.000 5.000 5.079 -0.079 18989 6869 1 10 . 1 1 60 60 THR CA C 60 58.900 58.900 58.198 0.702 18989 6870 1 10 . 1 1 60 60 THR CB C 60 70.200 70.200 70.686 -0.487 18989 6871 1 10 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.363 -0.083 18989 6872 1 10 . 1 1 61 61 PRO C C 61 177.700 177.700 177.120 0.580 18989 6873 1 10 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.677 0.823 18989 6874 1 10 . 1 1 61 61 PRO CB C 61 31.800 31.800 32.127 -0.327 18989 6875 1 10 . 1 1 62 62 GLU N N 62 111.700 111.700 118.642 -6.942 18989 6876 1 10 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.240 0.040 18989 6877 1 10 . 1 1 62 62 GLU C C 62 176.500 176.500 177.114 -0.614 18989 6878 1 10 . 1 1 62 62 GLU CA C 62 57.600 57.600 57.534 0.066 18989 6879 1 10 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.058 0.942 18989 6880 1 10 . 1 1 63 63 ARG N N 63 118.000 118.000 117.965 0.035 18989 6881 1 10 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.609 0.081 18989 6882 1 10 . 1 1 63 63 ARG C C 63 174.000 174.000 173.833 0.167 18989 6883 1 10 . 1 1 63 63 ARG CA C 63 56.700 56.700 56.126 0.574 18989 6884 1 10 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.008 0.692 18989 6885 1 10 . 1 1 64 64 THR N N 64 120.700 120.700 123.210 -2.510 18989 6886 1 10 . 1 1 64 64 THR HA H 64 5.780 5.780 5.307 0.473 18989 6887 1 10 . 1 1 64 64 THR C C 64 174.000 174.000 173.082 0.918 18989 6888 1 10 . 1 1 64 64 THR CA C 64 61.600 61.600 61.522 0.078 18989 6889 1 10 . 1 1 64 64 THR CB C 64 71.700 71.700 70.559 1.141 18989 6890 1 10 . 1 1 65 65 TRP N N 65 128.000 128.000 128.988 -0.988 18989 6891 1 10 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.886 0.284 18989 6892 1 10 . 1 1 65 65 TRP C C 65 172.800 172.800 173.861 -1.061 18989 6893 1 10 . 1 1 65 65 TRP CA C 65 57.300 57.300 56.876 0.424 18989 6894 1 10 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.675 -0.775 18989 6895 1 10 . 1 1 66 66 GLU N N 66 120.800 120.800 122.470 -1.670 18989 6896 1 10 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.515 1.075 18989 6897 1 10 . 1 1 66 66 GLU C C 66 177.300 177.300 175.294 2.006 18989 6898 1 10 . 1 1 66 66 GLU CA C 66 54.200 54.200 54.807 -0.607 18989 6899 1 10 . 1 1 66 66 GLU CB C 66 32.700 32.700 31.197 1.503 18989 6900 1 10 . 1 1 67 67 THR N N 67 113.700 113.700 116.385 -2.685 18989 6901 1 10 . 1 1 67 67 THR HA H 67 4.750 4.750 4.571 0.179 18989 6902 1 10 . 1 1 67 67 THR C C 67 173.300 173.300 174.363 -1.063 18989 6903 1 10 . 1 1 67 67 THR CA C 67 59.500 59.500 61.356 -1.856 18989 6904 1 10 . 1 1 67 67 THR CB C 67 71.500 71.500 70.303 1.197 18989 6905 1 10 . 1 1 68 68 ARG N N 68 125.300 125.300 126.969 -1.669 18989 6906 1 10 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.591 0.269 18989 6907 1 10 . 1 1 68 68 ARG C C 68 175.700 175.700 175.555 0.145 18989 6908 1 10 . 1 1 68 68 ARG CA C 68 55.000 55.000 54.533 0.467 18989 6909 1 10 . 1 1 68 68 ARG CB C 68 31.700 31.700 31.338 0.362 18989 6910 1 10 . 1 1 69 69 SER N N 69 122.000 122.000 119.637 2.363 18989 6911 1 10 . 1 1 69 69 SER HA H 69 5.570 5.570 5.013 0.557 18989 6912 1 10 . 1 1 69 69 SER C C 69 172.200 172.200 172.604 -0.404 18989 6913 1 10 . 1 1 69 69 SER CA C 69 58.000 58.000 57.662 0.338 18989 6914 1 10 . 1 1 69 69 SER CB C 69 66.700 66.700 65.069 1.631 18989 6915 1 10 . 1 1 70 70 GLU N N 70 121.900 121.900 126.713 -4.813 18989 6916 1 10 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.654 0.546 18989 6917 1 10 . 1 1 70 70 GLU C C 70 176.000 176.000 175.901 0.099 18989 6918 1 10 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.996 -1.396 18989 6919 1 10 . 1 1 70 70 GLU CB C 70 34.700 34.700 31.073 3.627 18989 6920 1 10 . 1 1 71 71 VAL N N 71 126.600 126.600 125.570 1.030 18989 6921 1 10 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.165 0.085 18989 6922 1 10 . 1 1 71 71 VAL C C 71 177.600 177.600 176.902 0.698 18989 6923 1 10 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.331 1.469 18989 6924 1 10 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.384 1.817 18989 6925 1 10 . 1 1 72 72 ILE N N 72 123.200 123.200 126.033 -2.833 18989 6926 1 10 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.291 0.439 18989 6927 1 10 . 1 1 72 72 ILE C C 72 175.200 175.200 175.421 -0.221 18989 6928 1 10 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.306 -0.306 18989 6929 1 10 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.740 0.860 18989 6930 1 10 . 1 1 73 73 VAL N N 73 121.700 121.700 120.577 1.123 18989 6931 1 10 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.427 -0.227 18989 6932 1 10 . 1 1 73 73 VAL C C 73 172.000 172.000 173.512 -1.512 18989 6933 1 10 . 1 1 73 73 VAL CA C 73 62.100 62.100 60.952 1.148 18989 6934 1 10 . 1 1 73 73 VAL CB C 73 34.700 34.700 36.037 -1.337 18989 6935 1 10 . 1 1 74 74 ALA N N 74 131.100 131.100 130.869 0.231 18989 6936 1 10 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.196 0.124 18989 6937 1 10 . 1 1 74 74 ALA C C 74 174.900 174.900 176.116 -1.216 18989 6938 1 10 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.311 1.389 18989 6939 1 10 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.596 -2.296 18989 6940 1 10 . 1 1 75 75 GLU N N 75 126.100 126.100 125.225 0.875 18989 6941 1 10 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.715 0.255 18989 6942 1 10 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.533 -0.433 18989 6943 1 10 . 1 1 75 75 GLU CB C 75 31.300 31.300 30.243 1.057 18989 6944 1 10 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.284 -1.664 18989 6945 1 10 . 1 1 76 76 PRO CA C 76 63.900 63.900 63.860 0.040 18989 6946 1 10 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.474 0.426 18989 6947 1 10 . 1 1 77 77 ASN HA H 77 3.760 3.760 2.991 0.769 18989 6948 1 10 . 1 1 77 77 ASN C C 77 172.700 172.700 174.146 -1.446 18989 6949 1 10 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.985 1.115 18989 6950 1 10 . 1 1 77 77 ASN CB C 77 36.900 36.900 37.099 -0.199 18989 6951 1 10 . 1 1 78 78 ARG N N 78 115.300 115.300 116.582 -1.282 18989 6952 1 10 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.586 0.314 18989 6953 1 10 . 1 1 78 78 ARG C C 78 176.000 176.000 174.024 1.976 18989 6954 1 10 . 1 1 78 78 ARG CA C 78 58.300 58.300 57.243 1.057 18989 6955 1 10 . 1 1 78 78 ARG CB C 78 34.000 34.000 33.438 0.562 18989 6956 1 10 . 1 1 79 79 CYS N N 79 117.700 117.700 116.372 1.328 18989 6957 1 10 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.266 0.404 18989 6958 1 10 . 1 1 79 79 CYS C C 79 172.200 172.200 173.165 -0.965 18989 6959 1 10 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.319 -0.119 18989 6960 1 10 . 1 1 79 79 CYS CB C 79 29.500 29.500 32.462 -2.962 18989 6961 1 10 . 1 1 80 80 PHE N N 80 129.500 129.500 123.840 5.660 18989 6962 1 10 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.082 0.438 18989 6963 1 10 . 1 1 80 80 PHE C C 80 173.400 173.400 173.721 -0.321 18989 6964 1 10 . 1 1 80 80 PHE CA C 80 57.900 57.900 57.189 0.711 18989 6965 1 10 . 1 1 80 80 PHE CB C 80 43.800 43.800 42.536 1.264 18989 6966 1 10 . 1 1 81 81 GLY N N 81 114.500 114.500 114.904 -0.404 18989 6967 1 10 . 1 1 81 81 GLY C C 81 171.900 171.900 172.078 -0.178 18989 6968 1 10 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.453 2.147 18989 6969 1 10 . 1 1 82 82 TRP N N 82 121.700 121.700 120.996 0.704 18989 6970 1 10 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.588 0.202 18989 6971 1 10 . 1 1 82 82 TRP C C 82 171.500 171.500 173.596 -2.096 18989 6972 1 10 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.585 2.815 18989 6973 1 10 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.145 1.754 18989 6974 1 10 . 1 1 83 83 SER N N 83 113.600 113.600 116.850 -3.250 18989 6975 1 10 . 1 1 83 83 SER HA H 83 5.680 5.680 4.879 0.801 18989 6976 1 10 . 1 1 83 83 SER C C 83 174.500 174.500 174.357 0.143 18989 6977 1 10 . 1 1 83 83 SER CA C 83 54.800 54.800 56.081 -1.281 18989 6978 1 10 . 1 1 83 83 SER CB C 83 66.700 66.700 64.065 2.635 18989 6979 1 10 . 1 1 84 84 VAL N N 84 125.400 125.400 127.243 -1.843 18989 6980 1 10 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.448 0.402 18989 6981 1 10 . 1 1 84 84 VAL C C 84 176.500 176.500 176.140 0.360 18989 6982 1 10 . 1 1 84 84 VAL CA C 84 61.400 61.400 62.961 -1.561 18989 6983 1 10 . 1 1 84 84 VAL CB C 84 34.600 34.600 31.328 3.272 18989 6984 1 10 . 1 1 85 85 THR N N 85 120.300 120.300 122.562 -2.262 18989 6985 1 10 . 1 1 85 85 THR HA H 85 3.720 3.720 3.918 -0.198 18989 6986 1 10 . 1 1 85 85 THR C C 85 173.500 173.500 174.155 -0.655 18989 6987 1 10 . 1 1 85 85 THR CA C 85 62.900 62.900 64.248 -1.348 18989 6988 1 10 . 1 1 85 85 THR CB C 85 66.600 66.600 67.960 -1.360 18989 6989 1 10 . 1 1 86 86 ASP N N 86 119.000 119.000 125.686 -6.686 18989 6990 1 10 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.186 0.034 18989 6991 1 10 . 1 1 86 86 ASP C C 86 177.100 177.100 175.355 1.745 18989 6992 1 10 . 1 1 86 86 ASP CA C 86 54.700 54.700 56.987 -2.287 18989 6993 1 10 . 1 1 86 86 ASP CB C 86 39.700 39.700 40.427 -0.727 18989 6994 1 10 . 1 1 87 87 GLY N N 87 103.400 103.400 106.570 -3.170 18989 6995 1 10 . 1 1 87 87 GLY C C 87 175.000 175.000 173.685 1.315 18989 6996 1 10 . 1 1 87 87 GLY CA C 87 45.600 45.600 44.882 0.718 18989 6997 1 10 . 1 1 88 88 ASN N N 88 122.300 122.300 120.402 1.898 18989 6998 1 10 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.579 -0.469 18989 6999 1 10 . 1 1 88 88 ASN C C 88 174.500 174.500 174.554 -0.054 18989 7000 1 10 . 1 1 88 88 ASN CA C 88 55.600 55.600 55.207 0.393 18989 7001 1 10 . 1 1 88 88 ASN CB C 88 38.200 38.200 39.743 -1.543 18989 7002 1 10 . 1 1 89 89 VAL N N 89 115.700 115.700 116.692 -0.992 18989 7003 1 10 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.334 0.496 18989 7004 1 10 . 1 1 89 89 VAL C C 89 174.700 174.700 174.955 -0.255 18989 7005 1 10 . 1 1 89 89 VAL CA C 89 59.600 59.600 60.999 -1.399 18989 7006 1 10 . 1 1 89 89 VAL CB C 89 37.000 37.000 34.760 2.240 18989 7007 1 10 . 1 1 90 90 LYS N N 90 123.600 123.600 121.778 1.822 18989 7008 1 10 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.773 0.237 18989 7009 1 10 . 1 1 90 90 LYS C C 90 174.100 174.100 174.106 -0.006 18989 7010 1 10 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.831 -0.931 18989 7011 1 10 . 1 1 90 90 LYS CB C 90 36.300 36.300 35.795 0.505 18989 7012 1 10 . 1 1 91 91 TRP N N 91 124.600 124.600 126.623 -2.023 18989 7013 1 10 . 1 1 91 91 TRP HA H 91 5.100 5.100 5.070 0.030 18989 7014 1 10 . 1 1 91 91 TRP C C 91 174.600 174.600 174.970 -0.370 18989 7015 1 10 . 1 1 91 91 TRP CA C 91 54.900 54.900 54.782 0.118 18989 7016 1 10 . 1 1 91 91 TRP CB C 91 30.800 30.800 31.018 -0.218 18989 7017 1 10 . 1 1 92 92 ILE N N 92 118.000 118.000 122.191 -4.191 18989 7018 1 10 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.355 0.205 18989 7019 1 10 . 1 1 92 92 ILE C C 92 176.300 176.300 174.474 1.826 18989 7020 1 10 . 1 1 92 92 ILE CA C 92 60.800 60.800 58.938 1.862 18989 7021 1 10 . 1 1 92 92 ILE CB C 92 42.100 42.100 39.037 3.063 18989 7022 1 10 . 1 1 93 93 TYR N N 93 127.700 127.700 127.710 -0.010 18989 7023 1 10 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.208 0.642 18989 7024 1 10 . 1 1 93 93 TYR C C 93 175.300 175.300 176.015 -0.715 18989 7025 1 10 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.875 0.225 18989 7026 1 10 . 1 1 93 93 TYR CB C 93 40.800 40.800 40.564 0.236 18989 7027 1 10 . 1 1 94 94 SER N N 94 117.900 117.900 118.097 -0.197 18989 7028 1 10 . 1 1 94 94 SER HA H 94 5.510 5.510 4.902 0.608 18989 7029 1 10 . 1 1 94 94 SER C C 94 172.700 172.700 173.059 -0.359 18989 7030 1 10 . 1 1 94 94 SER CA C 94 57.300 57.300 58.116 -0.816 18989 7031 1 10 . 1 1 94 94 SER CB C 94 65.600 65.600 65.431 0.169 18989 7032 1 10 . 1 1 95 95 MET N N 95 119.600 119.600 125.361 -5.761 18989 7033 1 10 . 1 1 95 95 MET HA H 95 5.840 5.840 4.998 0.842 18989 7034 1 10 . 1 1 95 95 MET C C 95 173.800 173.800 175.625 -1.825 18989 7035 1 10 . 1 1 95 95 MET CA C 95 54.200 54.200 53.886 0.313 18989 7036 1 10 . 1 1 95 95 MET CB C 95 37.400 37.400 33.907 3.493 18989 7037 1 10 . 1 1 96 96 GLU N N 96 119.100 119.100 124.300 -5.200 18989 7038 1 10 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.813 0.157 18989 7039 1 10 . 1 1 96 96 GLU CA C 96 52.900 52.900 52.612 0.288 18989 7040 1 10 . 1 1 96 96 GLU CB C 96 33.000 33.000 29.821 3.179 18989 7041 1 10 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.464 0.356 18989 7042 1 10 . 1 1 97 97 PRO C C 97 176.300 176.300 176.472 -0.172 18989 7043 1 10 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.671 0.429 18989 7044 1 10 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.347 1.353 18989 7045 1 10 . 1 1 98 98 LEU N N 98 122.900 122.900 126.726 -3.826 18989 7046 1 10 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.494 0.036 18989 7047 1 10 . 1 1 98 98 LEU C C 98 176.200 176.200 177.423 -1.223 18989 7048 1 10 . 1 1 98 98 LEU CA C 98 54.200 54.200 53.923 0.277 18989 7049 1 10 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.520 1.580 18989 7050 1 10 . 1 1 99 99 GLU N N 99 124.700 124.700 119.300 5.400 18989 7051 1 10 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.227 -0.367 18989 7052 1 10 . 1 1 99 99 GLU C C 99 176.900 176.900 177.988 -1.088 18989 7053 1 10 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.383 1.117 18989 7054 1 10 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.913 -1.913 18989 7055 1 10 . 1 1 100 100 GLU N N 100 118.200 118.200 119.038 -0.838 18989 7056 1 10 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.277 0.153 18989 7057 1 10 . 1 1 100 100 GLU C C 100 176.200 176.200 176.828 -0.628 18989 7058 1 10 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.724 -0.324 18989 7059 1 10 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.147 -0.247 18989 7060 1 10 . 1 1 101 101 GLY N N 101 110.100 110.100 105.971 4.129 18989 7061 1 10 . 1 1 101 101 GLY C C 101 174.100 174.100 172.809 1.291 18989 7062 1 10 . 1 1 101 101 GLY CA C 101 45.000 45.000 44.878 0.122 18989 7063 1 10 . 1 1 102 102 THR N N 102 120.200 120.200 115.805 4.395 18989 7064 1 10 . 1 1 102 102 THR HA H 102 4.850 4.850 5.078 -0.228 18989 7065 1 10 . 1 1 102 102 THR C C 102 172.700 172.700 173.723 -1.023 18989 7066 1 10 . 1 1 102 102 THR CA C 102 63.700 63.700 62.034 1.666 18989 7067 1 10 . 1 1 102 102 THR CB C 102 73.600 73.600 72.047 1.553 18989 7068 1 10 . 1 1 103 103 VAL N N 103 125.600 125.600 127.758 -2.158 18989 7069 1 10 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.493 0.417 18989 7070 1 10 . 1 1 103 103 VAL C C 103 175.000 175.000 175.277 -0.277 18989 7071 1 10 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.915 -0.615 18989 7072 1 10 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.636 1.064 18989 7073 1 10 . 1 1 104 104 LEU N N 104 133.900 133.900 131.055 2.845 18989 7074 1 10 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.914 0.226 18989 7075 1 10 . 1 1 104 104 LEU C C 104 173.800 173.800 175.517 -1.717 18989 7076 1 10 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.108 -0.808 18989 7077 1 10 . 1 1 104 104 LEU CB C 104 46.100 46.100 43.087 3.013 18989 7078 1 10 . 1 1 105 105 THR N N 105 124.400 124.400 123.910 0.490 18989 7079 1 10 . 1 1 105 105 THR HA H 105 5.210 5.210 4.974 0.236 18989 7080 1 10 . 1 1 105 105 THR C C 105 173.500 173.500 173.029 0.471 18989 7081 1 10 . 1 1 105 105 THR CA C 105 61.500 61.500 61.863 -0.363 18989 7082 1 10 . 1 1 105 105 THR CB C 105 71.100 71.100 70.606 0.494 18989 7083 1 10 . 1 1 106 106 GLU N N 106 126.900 126.900 127.760 -0.860 18989 7084 1 10 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.995 0.365 18989 7085 1 10 . 1 1 106 106 GLU C C 106 173.400 173.400 175.087 -1.687 18989 7086 1 10 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.034 0.366 18989 7087 1 10 . 1 1 106 106 GLU CB C 106 32.000 32.000 32.801 -0.801 18989 7088 1 10 . 1 1 107 107 SER N N 107 120.800 120.800 120.744 0.056 18989 7089 1 10 . 1 1 107 107 SER HA H 107 5.470 5.470 4.809 0.661 18989 7090 1 10 . 1 1 107 107 SER C C 107 171.600 171.600 173.011 -1.411 18989 7091 1 10 . 1 1 107 107 SER CA C 107 56.000 56.000 57.380 -1.380 18989 7092 1 10 . 1 1 107 107 SER CB C 107 66.700 66.700 64.220 2.480 18989 7093 1 10 . 1 1 108 108 TRP N N 108 124.600 124.600 129.252 -4.652 18989 7094 1 10 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.280 0.400 18989 7095 1 10 . 1 1 108 108 TRP C C 108 175.000 175.000 174.291 0.709 18989 7096 1 10 . 1 1 108 108 TRP CA C 108 55.900 55.900 56.541 -0.641 18989 7097 1 10 . 1 1 108 108 TRP CB C 108 33.600 33.600 30.536 3.064 18989 7098 1 10 . 1 1 109 109 GLU N N 109 127.200 127.200 127.050 0.150 18989 7099 1 10 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.055 0.445 18989 7100 1 10 . 1 1 109 109 GLU C C 109 172.300 172.300 173.779 -1.479 18989 7101 1 10 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.740 -0.640 18989 7102 1 10 . 1 1 109 109 GLU CB C 109 32.900 32.900 33.067 -0.167 18989 7103 1 10 . 1 1 110 110 PHE N N 110 129.400 129.400 126.301 3.099 18989 7104 1 10 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.571 0.119 18989 7105 1 10 . 1 1 110 110 PHE C C 110 177.100 177.100 174.758 2.342 18989 7106 1 10 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.496 -2.496 18989 7107 1 10 . 1 1 110 110 PHE CB C 110 38.500 38.500 41.822 -3.322 18989 7108 1 10 . 1 1 111 111 THR N N 111 117.800 117.800 117.960 -0.160 18989 7109 1 10 . 1 1 111 111 THR HA H 111 4.510 4.510 4.654 -0.144 18989 7110 1 10 . 1 1 111 111 THR CA C 111 61.800 61.800 58.367 3.433 18989 7111 1 10 . 1 1 111 111 THR CB C 111 66.100 66.100 68.908 -2.808 18989 7112 1 10 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.052 -0.062 18989 7113 1 10 . 1 1 113 113 LYS C C 113 179.200 179.200 178.451 0.749 18989 7114 1 10 . 1 1 114 114 GLY N N 114 110.100 110.100 105.994 4.106 18989 7115 1 10 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.636 0.464 18989 7116 1 10 . 1 1 115 115 GLN N N 115 121.100 121.100 121.851 -0.751 18989 7117 1 10 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.263 -0.253 18989 7118 1 10 . 1 1 115 115 GLN C C 115 178.000 178.000 178.266 -0.266 18989 7119 1 10 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.825 1.075 18989 7120 1 10 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.870 0.530 18989 7121 1 10 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.168 -0.028 18989 7122 1 10 . 1 1 116 116 ARG C C 116 177.900 177.900 178.437 -0.537 18989 7123 1 10 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.112 0.388 18989 7124 1 10 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.610 0.390 18989 7125 1 10 . 1 1 117 117 PHE N N 117 120.800 120.800 118.626 2.174 18989 7126 1 10 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.186 0.284 18989 7127 1 10 . 1 1 117 117 PHE C C 117 178.100 178.100 177.341 0.759 18989 7128 1 10 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.956 -0.756 18989 7129 1 10 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.574 0.426 18989 7130 1 10 . 1 1 118 118 PHE N N 118 119.600 119.600 116.107 3.493 18989 7131 1 10 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.303 -0.073 18989 7132 1 10 . 1 1 118 118 PHE C C 118 178.500 178.500 177.787 0.713 18989 7133 1 10 . 1 1 118 118 PHE CA C 118 62.300 62.300 61.559 0.741 18989 7134 1 10 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.831 0.369 18989 7135 1 10 . 1 1 119 119 HIS N N 119 120.900 120.900 119.585 1.315 18989 7136 1 10 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.501 0.119 18989 7137 1 10 . 1 1 119 119 HIS C C 119 178.500 178.500 177.547 0.953 18989 7138 1 10 . 1 1 119 119 HIS CA C 119 59.900 59.900 58.965 0.935 18989 7139 1 10 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.489 -0.789 18989 7140 1 10 . 1 1 120 120 ASP N N 120 120.400 120.400 120.246 0.154 18989 7141 1 10 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.406 -0.076 18989 7142 1 10 . 1 1 120 120 ASP C C 120 177.500 177.500 177.541 -0.041 18989 7143 1 10 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.471 0.729 18989 7144 1 10 . 1 1 120 120 ASP CB C 120 40.500 40.500 40.956 -0.456 18989 7145 1 10 . 1 1 121 121 LYS N N 121 118.100 118.100 118.205 -0.105 18989 7146 1 10 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.914 -0.104 18989 7147 1 10 . 1 1 121 121 LYS C C 121 178.200 178.200 178.181 0.019 18989 7148 1 10 . 1 1 121 121 LYS CA C 121 58.100 58.100 58.434 -0.334 18989 7149 1 10 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.666 0.534 18989 7150 1 10 . 1 1 122 122 PHE N N 122 112.800 112.800 116.313 -3.513 18989 7151 1 10 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.560 0.120 18989 7152 1 10 . 1 1 122 122 PHE C C 122 177.600 177.600 177.127 0.473 18989 7153 1 10 . 1 1 122 122 PHE CA C 122 58.100 58.100 58.711 -0.611 18989 7154 1 10 . 1 1 122 122 PHE CB C 122 40.000 40.000 40.112 -0.112 18989 7155 1 10 . 1 1 123 123 GLY N N 123 112.200 112.200 108.750 3.450 18989 7156 1 10 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.862 0.438 18989 7157 1 10 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.398 0.182 18989 7158 1 10 . 1 1 124 124 ASP C C 124 177.700 177.700 178.001 -0.301 18989 7159 1 10 . 1 1 124 124 ASP CA C 124 56.800 56.800 57.599 -0.799 18989 7160 1 10 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.758 -0.659 18989 7161 1 10 . 1 1 125 125 LYS N N 125 118.400 118.400 119.675 -1.275 18989 7162 1 10 . 1 1 125 125 LYS HA H 125 4.670 4.670 3.875 0.795 18989 7163 1 10 . 1 1 125 125 LYS C C 125 177.100 177.100 178.238 -1.138 18989 7164 1 10 . 1 1 125 125 LYS CA C 125 56.000 56.000 59.920 -3.920 18989 7165 1 10 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.400 -0.100 18989 7166 1 10 . 1 1 126 126 SER N N 126 116.600 116.600 114.743 1.857 18989 7167 1 10 . 1 1 126 126 SER HA H 126 3.830 3.830 4.263 -0.433 18989 7168 1 10 . 1 1 126 126 SER C C 126 175.700 175.700 177.019 -1.319 18989 7169 1 10 . 1 1 126 126 SER CA C 126 62.700 62.700 61.502 1.198 18989 7170 1 10 . 1 1 126 126 SER CB C 126 63.000 63.000 62.615 0.385 18989 7171 1 10 . 1 1 127 127 ILE N N 127 122.300 122.300 121.747 0.553 18989 7172 1 10 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.656 0.154 18989 7173 1 10 . 1 1 127 127 ILE C C 127 178.500 178.500 178.360 0.140 18989 7174 1 10 . 1 1 127 127 ILE CA C 127 65.000 65.000 65.492 -0.492 18989 7175 1 10 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.921 -1.121 18989 7176 1 10 . 1 1 128 128 GLU N N 128 120.500 120.500 118.633 1.867 18989 7177 1 10 . 1 1 128 128 GLU HA H 128 4.100 4.100 4.025 0.075 18989 7178 1 10 . 1 1 128 128 GLU C C 128 179.400 179.400 178.749 0.651 18989 7179 1 10 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.522 -0.222 18989 7180 1 10 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.214 0.486 18989 7181 1 10 . 1 1 129 129 GLU N N 129 118.800 118.800 120.408 -1.608 18989 7182 1 10 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.983 -0.073 18989 7183 1 10 . 1 1 129 129 GLU C C 129 179.900 179.900 178.916 0.984 18989 7184 1 10 . 1 1 129 129 GLU CA C 129 59.000 59.000 59.083 -0.083 18989 7185 1 10 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.708 -0.508 18989 7186 1 10 . 1 1 130 130 ILE N N 130 122.700 122.700 119.456 3.244 18989 7187 1 10 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.601 -0.121 18989 7188 1 10 . 1 1 130 130 ILE C C 130 177.600 177.600 177.229 0.371 18989 7189 1 10 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.600 1.800 18989 7190 1 10 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.910 0.390 18989 7191 1 10 . 1 1 131 131 GLU N N 131 120.100 120.100 120.079 0.021 18989 7192 1 10 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.965 0.425 18989 7193 1 10 . 1 1 131 131 GLU C C 131 178.800 178.800 178.577 0.223 18989 7194 1 10 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.810 -1.210 18989 7195 1 10 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.284 -0.384 18989 7196 1 10 . 1 1 132 132 LYS N N 132 118.300 118.300 118.743 -0.443 18989 7197 1 10 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.997 -0.037 18989 7198 1 10 . 1 1 132 132 LYS C C 132 180.400 180.400 179.305 1.095 18989 7199 1 10 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.123 1.177 18989 7200 1 10 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.236 0.465 18989 7201 1 10 . 1 1 133 133 ARG N N 133 118.400 118.400 119.374 -0.974 18989 7202 1 10 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.911 0.149 18989 7203 1 10 . 1 1 133 133 ARG C C 133 178.600 178.600 178.324 0.276 18989 7204 1 10 . 1 1 133 133 ARG CA C 133 58.000 58.000 59.328 -1.328 18989 7205 1 10 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.948 -0.548 18989 7206 1 10 . 1 1 134 134 ARG N N 134 122.500 122.500 120.405 2.095 18989 7207 1 10 . 1 1 134 134 ARG HA H 134 3.610 3.610 3.462 0.148 18989 7208 1 10 . 1 1 134 134 ARG C C 134 177.600 177.600 178.134 -0.534 18989 7209 1 10 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.256 0.144 18989 7210 1 10 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.076 0.924 18989 7211 1 10 . 1 1 135 135 LEU N N 135 118.200 118.200 119.007 -0.807 18989 7212 1 10 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.876 -0.066 18989 7213 1 10 . 1 1 135 135 LEU C C 135 179.700 179.700 178.386 1.314 18989 7214 1 10 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.272 0.428 18989 7215 1 10 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.580 -0.179 18989 7216 1 10 . 1 1 136 136 ALA N N 136 120.400 120.400 120.773 -0.373 18989 7217 1 10 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.914 0.116 18989 7218 1 10 . 1 1 136 136 ALA C C 136 180.500 180.500 179.263 1.237 18989 7219 1 10 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.552 0.148 18989 7220 1 10 . 1 1 136 136 ALA CB C 136 18.100 18.100 18.022 0.078 18989 7221 1 10 . 1 1 137 137 ALA N N 137 123.200 123.200 121.570 1.630 18989 7222 1 10 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.828 0.072 18989 7223 1 10 . 1 1 137 137 ALA C C 137 178.700 178.700 179.232 -0.532 18989 7224 1 10 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.424 0.876 18989 7225 1 10 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.546 -1.746 18989 7226 1 10 . 1 1 138 138 ILE N N 138 115.400 115.400 117.085 -1.685 18989 7227 1 10 . 1 1 138 138 ILE HA H 138 2.830 2.830 2.968 -0.138 18989 7228 1 10 . 1 1 138 138 ILE C C 138 177.800 177.800 177.399 0.401 18989 7229 1 10 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.580 -0.380 18989 7230 1 10 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.211 0.189 18989 7231 1 10 . 1 1 139 139 THR N N 139 109.500 109.500 113.071 -3.571 18989 7232 1 10 . 1 1 139 139 THR HA H 139 4.150 4.150 4.023 0.127 18989 7233 1 10 . 1 1 139 139 THR C C 139 177.300 177.300 175.817 1.483 18989 7234 1 10 . 1 1 139 139 THR CA C 139 64.000 64.000 65.298 -1.298 18989 7235 1 10 . 1 1 139 139 THR CB C 139 69.600 69.600 68.896 0.704 18989 7236 1 10 . 1 1 140 140 GLY N N 140 110.800 110.800 109.066 1.734 18989 7237 1 10 . 1 1 140 140 GLY C C 140 176.700 176.700 175.602 1.098 18989 7238 1 10 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.219 0.581 18989 7239 1 10 . 1 1 141 141 ILE N N 141 122.700 122.700 122.250 0.450 18989 7240 1 10 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.120 0.040 18989 7241 1 10 . 1 1 141 141 ILE CA C 141 68.300 68.300 65.032 3.268 18989 7242 1 10 . 1 1 141 141 ILE CB C 141 36.300 36.300 35.247 1.053 18989 7243 1 10 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.365 -0.015 18989 7244 1 10 . 1 1 142 142 PRO C C 142 179.300 179.300 178.916 0.384 18989 7245 1 10 . 1 1 142 142 PRO CA C 142 66.700 66.700 66.151 0.549 18989 7246 1 10 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.015 0.185 18989 7247 1 10 . 1 1 143 143 GLU N N 143 113.900 113.900 119.735 -5.835 18989 7248 1 10 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.122 0.048 18989 7249 1 10 . 1 1 143 143 GLU C C 143 179.600 179.600 178.736 0.864 18989 7250 1 10 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.544 -0.244 18989 7251 1 10 . 1 1 143 143 GLU CB C 143 30.000 30.000 28.940 1.060 18989 7252 1 10 . 1 1 144 144 THR N N 144 119.900 119.900 117.449 2.451 18989 7253 1 10 . 1 1 144 144 THR HA H 144 4.290 4.290 4.077 0.213 18989 7254 1 10 . 1 1 144 144 THR C C 144 175.800 175.800 177.033 -1.233 18989 7255 1 10 . 1 1 144 144 THR CA C 144 67.000 67.000 66.594 0.407 18989 7256 1 10 . 1 1 144 144 THR CB C 144 69.500 69.500 68.842 0.658 18989 7257 1 10 . 1 1 145 145 LEU N N 145 120.300 120.300 121.261 -0.961 18989 7258 1 10 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.125 -0.215 18989 7259 1 10 . 1 1 145 145 LEU C C 145 178.700 178.700 178.840 -0.140 18989 7260 1 10 . 1 1 145 145 LEU CA C 145 58.600 58.600 58.039 0.561 18989 7261 1 10 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.548 -0.048 18989 7262 1 10 . 1 1 146 146 VAL N N 146 117.600 117.600 118.410 -0.810 18989 7263 1 10 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.804 -0.124 18989 7264 1 10 . 1 1 146 146 VAL C C 146 177.700 177.700 178.286 -0.586 18989 7265 1 10 . 1 1 146 146 VAL CA C 146 66.100 66.100 65.676 0.424 18989 7266 1 10 . 1 1 146 146 VAL CB C 146 32.000 32.000 30.551 1.449 18989 7267 1 10 . 1 1 147 147 ALA N N 147 123.600 123.600 123.051 0.549 18989 7268 1 10 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.140 0.090 18989 7269 1 10 . 1 1 147 147 ALA C C 147 180.400 180.400 180.170 0.230 18989 7270 1 10 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.166 0.434 18989 7271 1 10 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.236 0.564 18989 7272 1 10 . 1 1 148 148 ILE N N 148 119.600 119.600 119.200 0.400 18989 7273 1 10 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.639 -0.329 18989 7274 1 10 . 1 1 148 148 ILE C C 148 177.100 177.100 177.618 -0.518 18989 7275 1 10 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.041 1.259 18989 7276 1 10 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.905 0.295 18989 7277 1 10 . 1 1 149 149 GLN N N 149 119.200 119.200 120.090 -0.890 18989 7278 1 10 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.884 -0.214 18989 7279 1 10 . 1 1 149 149 GLN C C 149 178.000 178.000 178.175 -0.175 18989 7280 1 10 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.562 0.538 18989 7281 1 10 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.924 0.676 18989 7282 1 10 . 1 1 150 150 ARG N N 150 120.500 120.500 118.398 2.102 18989 7283 1 10 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.266 -0.216 18989 7284 1 10 . 1 1 150 150 ARG C C 150 179.000 179.000 178.647 0.353 18989 7285 1 10 . 1 1 150 150 ARG CA C 150 59.300 59.300 58.754 0.546 18989 7286 1 10 . 1 1 150 150 ARG CB C 150 30.000 30.000 29.109 0.891 18989 7287 1 10 . 1 1 151 151 ILE N N 151 119.100 119.100 118.960 0.140 18989 7288 1 10 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.918 -0.268 18989 7289 1 10 . 1 1 151 151 ILE C C 151 178.500 178.500 177.128 1.372 18989 7290 1 10 . 1 1 151 151 ILE CA C 151 65.300 65.300 63.575 1.725 18989 7291 1 10 . 1 1 151 151 ILE CB C 151 39.000 39.000 38.194 0.806 18989 7292 1 10 . 1 1 152 152 LEU N N 152 117.100 117.100 119.574 -2.474 18989 7293 1 10 . 1 1 152 152 LEU HA H 152 4.080 4.080 4.061 0.019 18989 7294 1 10 . 1 1 152 152 LEU C C 152 178.700 178.700 178.931 -0.231 18989 7295 1 10 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.164 -0.164 18989 7296 1 10 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.650 1.250 18989 7297 1 10 . 1 1 153 153 GLU N N 153 117.800 117.800 119.193 -1.393 18989 7298 1 10 . 1 1 153 153 GLU HA H 153 4.170 4.170 4.112 0.058 18989 7299 1 10 . 1 1 153 153 GLU C C 153 178.300 178.300 178.380 -0.080 18989 7300 1 10 . 1 1 153 153 GLU CA C 153 58.700 58.700 58.989 -0.289 18989 7301 1 10 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.781 -0.481 18989 7302 1 10 . 1 1 154 154 VAL N N 154 119.500 119.500 118.123 1.377 18989 7303 1 10 . 1 1 154 154 VAL HA H 154 4.000 4.000 4.032 -0.032 18989 7304 1 10 . 1 1 154 154 VAL C C 154 177.500 177.500 178.338 -0.838 18989 7305 1 10 . 1 1 154 154 VAL CA C 154 64.700 64.700 65.496 -0.796 18989 7306 1 10 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.785 0.416 18989 7307 1 10 . 1 1 155 155 GLU N N 155 121.300 121.300 120.044 1.256 18989 7308 1 10 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.314 -0.134 18989 7309 1 10 . 1 1 155 155 GLU C C 155 177.600 177.600 178.934 -1.334 18989 7310 1 10 . 1 1 155 155 GLU CA C 155 58.000 58.000 57.678 0.322 18989 7311 1 10 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.220 0.480 18989 7312 1 10 . 1 1 156 156 LEU N N 156 120.800 120.800 118.228 2.572 18989 7313 1 10 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.085 0.145 18989 7314 1 10 . 1 1 156 156 LEU C C 156 178.000 178.000 177.722 0.278 18989 7315 1 10 . 1 1 156 156 LEU CA C 156 56.200 56.200 56.726 -0.526 18989 7316 1 10 . 1 1 156 156 LEU CB C 156 42.300 42.300 41.534 0.766 18989 7317 1 10 . 1 1 157 157 GLU N N 157 119.700 119.700 117.843 1.857 18989 7318 1 10 . 1 1 157 157 GLU HA H 157 4.130 4.130 3.992 0.138 18989 7319 1 10 . 1 1 157 157 GLU C C 157 177.000 177.000 178.282 -1.282 18989 7320 1 10 . 1 1 157 157 GLU CA C 157 57.400 57.400 57.840 -0.440 18989 7321 1 10 . 1 1 157 157 GLU CB C 157 29.800 29.800 29.861 -0.062 18989 7322 1 10 . 1 1 158 158 HIS N N 158 117.700 117.700 118.944 -1.244 18989 7323 1 10 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.282 0.348 18989 7324 1 10 . 1 1 158 158 HIS C C 158 173.900 173.900 175.755 -1.855 18989 7325 1 10 . 1 1 158 158 HIS CA C 158 56.000 56.000 58.059 -2.059 18989 7326 1 10 . 1 1 158 158 HIS CB C 158 30.000 30.000 30.784 -0.784 18989 7327 1 10 . 1 1 159 159 HIS N N 159 125.200 125.200 116.340 8.860 18989 7328 1 10 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.299 0.141 18989 7329 1 10 . 1 1 159 159 HIS CA C 159 57.300 57.300 56.457 0.843 18989 7330 1 10 . 1 1 159 159 HIS CB C 159 28.800 28.800 26.624 2.176 18989 7331 1 11 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.657 -0.258 18989 7332 1 11 . 1 1 2 2 PRO CA C 2 62.400 62.400 62.596 -0.196 18989 7333 1 11 . 1 1 2 2 PRO CB C 2 32.800 32.800 30.351 2.449 18989 7334 1 11 . 1 1 3 3 LYS HA H 3 4.480 4.480 3.948 0.532 18989 7335 1 11 . 1 1 3 3 LYS C C 3 176.600 176.600 175.950 0.650 18989 7336 1 11 . 1 1 3 3 LYS CA C 3 55.900 55.900 58.766 -2.865 18989 7337 1 11 . 1 1 3 3 LYS CB C 3 34.200 34.200 32.831 1.369 18989 7338 1 11 . 1 1 4 4 SER N N 4 117.800 117.800 111.481 6.319 18989 7339 1 11 . 1 1 4 4 SER HA H 4 4.220 4.220 4.771 -0.551 18989 7340 1 11 . 1 1 4 4 SER C C 4 174.100 174.100 173.784 0.316 18989 7341 1 11 . 1 1 4 4 SER CA C 4 59.700 59.700 56.577 3.123 18989 7342 1 11 . 1 1 4 4 SER CB C 4 63.700 63.700 64.031 -0.331 18989 7343 1 11 . 1 1 5 5 LEU N N 5 124.700 124.700 129.716 -5.016 18989 7344 1 11 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.394 0.406 18989 7345 1 11 . 1 1 5 5 LEU C C 5 175.500 175.500 175.583 -0.083 18989 7346 1 11 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.402 -0.402 18989 7347 1 11 . 1 1 5 5 LEU CB C 5 43.200 43.200 40.498 2.702 18989 7348 1 11 . 1 1 6 6 THR N N 6 111.200 111.200 114.097 -2.897 18989 7349 1 11 . 1 1 6 6 THR HA H 6 5.620 5.620 5.107 0.513 18989 7350 1 11 . 1 1 6 6 THR C C 6 174.500 174.500 173.985 0.515 18989 7351 1 11 . 1 1 6 6 THR CA C 6 59.700 59.700 59.614 0.086 18989 7352 1 11 . 1 1 6 6 THR CB C 6 73.000 73.000 70.629 2.372 18989 7353 1 11 . 1 1 7 7 PHE N N 7 120.700 120.700 126.191 -5.491 18989 7354 1 11 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.936 -0.186 18989 7355 1 11 . 1 1 7 7 PHE C C 7 172.100 172.100 173.231 -1.131 18989 7356 1 11 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.039 2.261 18989 7357 1 11 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.600 -0.100 18989 7358 1 11 . 1 1 8 8 GLU N N 8 122.100 122.100 121.680 0.420 18989 7359 1 11 . 1 1 8 8 GLU HA H 8 5.380 5.380 5.256 0.124 18989 7360 1 11 . 1 1 8 8 GLU C C 8 172.500 172.500 173.969 -1.469 18989 7361 1 11 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.379 0.121 18989 7362 1 11 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.655 -0.155 18989 7363 1 11 . 1 1 9 9 ASP N N 9 117.400 117.400 120.348 -2.948 18989 7364 1 11 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.825 -0.005 18989 7365 1 11 . 1 1 9 9 ASP C C 9 173.500 173.500 173.763 -0.263 18989 7366 1 11 . 1 1 9 9 ASP CA C 9 53.100 53.100 52.816 0.283 18989 7367 1 11 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.449 0.651 18989 7368 1 11 . 1 1 10 10 SER N N 10 113.600 113.600 116.478 -2.878 18989 7369 1 11 . 1 1 10 10 SER HA H 10 5.990 5.990 5.783 0.207 18989 7370 1 11 . 1 1 10 10 SER C C 10 172.600 172.600 173.178 -0.578 18989 7371 1 11 . 1 1 10 10 SER CA C 10 57.300 57.300 57.208 0.092 18989 7372 1 11 . 1 1 10 10 SER CB C 10 68.100 68.100 66.142 1.958 18989 7373 1 11 . 1 1 11 11 ILE N N 11 122.700 122.700 122.534 0.166 18989 7374 1 11 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.521 -0.001 18989 7375 1 11 . 1 1 11 11 ILE C C 11 171.300 171.300 173.455 -2.155 18989 7376 1 11 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.238 0.762 18989 7377 1 11 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.054 1.346 18989 7378 1 11 . 1 1 12 12 ASN N N 12 124.600 124.600 125.747 -1.147 18989 7379 1 11 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.959 0.321 18989 7380 1 11 . 1 1 12 12 ASN C C 12 174.700 174.700 174.786 -0.086 18989 7381 1 11 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.745 -0.445 18989 7382 1 11 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.692 -0.092 18989 7383 1 11 . 1 1 13 13 ILE N N 13 122.900 122.900 125.086 -2.186 18989 7384 1 11 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.322 0.128 18989 7385 1 11 . 1 1 13 13 ILE C C 13 175.300 175.300 175.168 0.132 18989 7386 1 11 . 1 1 13 13 ILE CA C 13 60.300 60.300 60.142 0.158 18989 7387 1 11 . 1 1 13 13 ILE CB C 13 41.600 41.600 40.496 1.104 18989 7388 1 11 . 1 1 14 14 ALA N N 14 136.600 136.600 131.320 5.280 18989 7389 1 11 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.634 0.066 18989 7390 1 11 . 1 1 14 14 ALA C C 14 175.100 175.100 176.208 -1.108 18989 7391 1 11 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.542 -0.542 18989 7392 1 11 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.571 -1.271 18989 7393 1 11 . 1 1 15 15 ALA N N 15 122.100 122.100 124.297 -2.197 18989 7394 1 11 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.706 0.054 18989 7395 1 11 . 1 1 15 15 ALA CA C 15 50.000 50.000 50.575 -0.575 18989 7396 1 11 . 1 1 15 15 ALA CB C 15 21.100 21.100 20.942 0.158 18989 7397 1 11 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.585 0.025 18989 7398 1 11 . 1 1 16 16 PRO C C 16 179.200 179.200 177.348 1.852 18989 7399 1 11 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.800 -0.700 18989 7400 1 11 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.827 0.273 18989 7401 1 11 . 1 1 17 17 ILE N N 17 124.400 124.400 122.368 2.032 18989 7402 1 11 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.751 0.239 18989 7403 1 11 . 1 1 17 17 ILE C C 17 175.800 175.800 176.669 -0.869 18989 7404 1 11 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.627 1.073 18989 7405 1 11 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.300 0.400 18989 7406 1 11 . 1 1 18 18 ASN N N 18 117.200 117.200 117.226 -0.026 18989 7407 1 11 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.578 0.112 18989 7408 1 11 . 1 1 18 18 ASN C C 18 178.700 178.700 177.786 0.914 18989 7409 1 11 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.439 -0.639 18989 7410 1 11 . 1 1 18 18 ASN CB C 18 37.100 37.100 37.472 -0.372 18989 7411 1 11 . 1 1 19 19 GLN N N 19 120.300 120.300 119.369 0.931 18989 7412 1 11 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.224 -0.104 18989 7413 1 11 . 1 1 19 19 GLN C C 19 178.500 178.500 178.078 0.422 18989 7414 1 11 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.272 0.028 18989 7415 1 11 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.569 -0.269 18989 7416 1 11 . 1 1 20 20 VAL N N 20 120.300 120.300 121.912 -1.612 18989 7417 1 11 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.676 -0.226 18989 7418 1 11 . 1 1 20 20 VAL C C 20 177.500 177.500 177.759 -0.259 18989 7419 1 11 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.731 -0.532 18989 7420 1 11 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.872 -0.972 18989 7421 1 11 . 1 1 21 21 TYR N N 21 118.800 118.800 121.398 -2.598 18989 7422 1 11 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.233 -0.653 18989 7423 1 11 . 1 1 21 21 TYR C C 21 177.800 177.800 176.993 0.807 18989 7424 1 11 . 1 1 21 21 TYR CA C 21 62.900 62.900 60.809 2.091 18989 7425 1 11 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.395 0.005 18989 7426 1 11 . 1 1 22 22 ALA N N 22 120.400 120.400 121.145 -0.745 18989 7427 1 11 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.942 -0.182 18989 7428 1 11 . 1 1 22 22 ALA C C 22 178.000 178.000 178.711 -0.711 18989 7429 1 11 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.294 0.406 18989 7430 1 11 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.502 -0.002 18989 7431 1 11 . 1 1 23 23 LEU N N 23 116.400 116.400 119.187 -2.787 18989 7432 1 11 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.255 -0.024 18989 7433 1 11 . 1 1 23 23 LEU C C 23 177.200 177.200 179.154 -1.954 18989 7434 1 11 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.304 0.696 18989 7435 1 11 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.945 0.455 18989 7436 1 11 . 1 1 24 24 VAL N N 24 128.600 128.600 119.831 8.769 18989 7437 1 11 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.873 -0.513 18989 7438 1 11 . 1 1 24 24 VAL C C 24 175.200 175.200 177.600 -2.400 18989 7439 1 11 . 1 1 24 24 VAL CA C 24 64.300 64.300 65.089 -0.789 18989 7440 1 11 . 1 1 24 24 VAL CB C 24 30.800 30.800 31.622 -0.822 18989 7441 1 11 . 1 1 25 25 SER N N 25 108.500 108.500 114.524 -6.024 18989 7442 1 11 . 1 1 25 25 SER HA H 25 2.520 2.520 4.110 -1.590 18989 7443 1 11 . 1 1 25 25 SER CA C 25 58.200 58.200 59.524 -1.324 18989 7444 1 11 . 1 1 25 25 SER CB C 25 63.600 63.600 62.140 1.460 18989 7445 1 11 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.327 0.583 18989 7446 1 11 . 1 1 26 26 ASP C C 26 175.500 175.500 177.348 -1.848 18989 7447 1 11 . 1 1 26 26 ASP CA C 26 51.200 51.200 54.499 -3.299 18989 7448 1 11 . 1 1 26 26 ASP CB C 26 38.100 38.100 40.609 -2.510 18989 7449 1 11 . 1 1 27 27 ILE N N 27 123.500 123.500 114.573 8.927 18989 7450 1 11 . 1 1 27 27 ILE HA H 27 3.390 3.390 3.805 -0.415 18989 7451 1 11 . 1 1 27 27 ILE C C 27 178.900 178.900 176.396 2.504 18989 7452 1 11 . 1 1 27 27 ILE CA C 27 61.700 61.700 63.253 -1.553 18989 7453 1 11 . 1 1 27 27 ILE CB C 27 36.600 36.600 37.432 -0.833 18989 7454 1 11 . 1 1 28 28 THR N N 28 112.500 112.500 110.636 1.864 18989 7455 1 11 . 1 1 28 28 THR HA H 28 4.350 4.350 4.227 0.123 18989 7456 1 11 . 1 1 28 28 THR C C 28 176.500 176.500 175.518 0.982 18989 7457 1 11 . 1 1 28 28 THR CA C 28 64.000 64.000 61.524 2.476 18989 7458 1 11 . 1 1 28 28 THR CB C 28 68.600 68.600 70.744 -2.144 18989 7459 1 11 . 1 1 29 29 ARG N N 29 121.100 121.100 119.593 1.507 18989 7460 1 11 . 1 1 29 29 ARG HA H 29 4.280 4.280 3.698 0.582 18989 7461 1 11 . 1 1 29 29 ARG CA C 29 56.200 56.200 58.808 -2.608 18989 7462 1 11 . 1 1 29 29 ARG CB C 29 30.600 30.600 28.699 1.901 18989 7463 1 11 . 1 1 30 30 THR HA H 30 5.870 5.870 4.425 1.445 18989 7464 1 11 . 1 1 30 30 THR C C 30 174.000 174.000 173.857 0.143 18989 7465 1 11 . 1 1 30 30 THR CA C 30 66.000 66.000 62.043 3.957 18989 7466 1 11 . 1 1 30 30 THR CB C 30 69.400 69.400 72.242 -2.842 18989 7467 1 11 . 1 1 31 31 GLY N N 31 106.200 106.200 111.377 -5.177 18989 7468 1 11 . 1 1 31 31 GLY C C 31 175.200 175.200 175.094 0.106 18989 7469 1 11 . 1 1 31 31 GLY CA C 31 46.200 46.200 45.286 0.914 18989 7470 1 11 . 1 1 32 32 GLU N N 32 118.400 118.400 123.946 -5.546 18989 7471 1 11 . 1 1 32 32 GLU HA H 32 3.970 3.970 3.960 0.010 18989 7472 1 11 . 1 1 32 32 GLU C C 32 177.500 177.500 177.996 -0.496 18989 7473 1 11 . 1 1 32 32 GLU CA C 32 58.800 58.800 58.207 0.593 18989 7474 1 11 . 1 1 32 32 GLU CB C 32 29.800 29.800 29.773 0.027 18989 7475 1 11 . 1 1 33 33 TRP N N 33 113.200 113.200 118.501 -5.301 18989 7476 1 11 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.496 0.444 18989 7477 1 11 . 1 1 33 33 TRP C C 33 175.300 175.300 176.045 -0.745 18989 7478 1 11 . 1 1 33 33 TRP CA C 33 56.400 56.400 57.957 -1.557 18989 7479 1 11 . 1 1 33 33 TRP CB C 33 30.600 30.600 29.707 0.893 18989 7480 1 11 . 1 1 34 34 SER N N 34 118.600 118.600 109.559 9.041 18989 7481 1 11 . 1 1 34 34 SER HA H 34 4.930 4.930 4.676 0.254 18989 7482 1 11 . 1 1 34 34 SER CA C 34 54.700 54.700 56.430 -1.730 18989 7483 1 11 . 1 1 34 34 SER CB C 34 63.000 63.000 63.770 -0.770 18989 7484 1 11 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.997 -0.537 18989 7485 1 11 . 1 1 35 35 PRO C C 35 177.100 177.100 176.838 0.262 18989 7486 1 11 . 1 1 35 35 PRO CA C 35 64.500 64.500 62.512 1.988 18989 7487 1 11 . 1 1 35 35 PRO CB C 35 32.300 32.300 30.945 1.355 18989 7488 1 11 . 1 1 36 36 VAL N N 36 113.900 113.900 111.144 2.756 18989 7489 1 11 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.107 -0.007 18989 7490 1 11 . 1 1 36 36 VAL C C 36 174.200 174.200 175.770 -1.570 18989 7491 1 11 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.656 0.244 18989 7492 1 11 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.553 0.947 18989 7493 1 11 . 1 1 37 37 CYS N N 37 121.000 121.000 120.066 0.934 18989 7494 1 11 . 1 1 37 37 CYS HA H 37 4.460 4.460 5.090 -0.630 18989 7495 1 11 . 1 1 37 37 CYS C C 37 173.600 173.600 174.965 -1.365 18989 7496 1 11 . 1 1 37 37 CYS CA C 37 58.500 58.500 57.726 0.774 18989 7497 1 11 . 1 1 37 37 CYS CB C 37 27.000 27.000 28.710 -1.710 18989 7498 1 11 . 1 1 38 38 GLU N N 38 129.300 129.300 129.487 -0.187 18989 7499 1 11 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.092 0.048 18989 7500 1 11 . 1 1 38 38 GLU C C 38 176.500 176.500 176.195 0.305 18989 7501 1 11 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.968 -1.068 18989 7502 1 11 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.246 1.554 18989 7503 1 11 . 1 1 39 39 LYS N N 39 117.100 117.100 117.882 -0.782 18989 7504 1 11 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.333 0.137 18989 7505 1 11 . 1 1 39 39 LYS C C 39 173.600 173.600 173.987 -0.387 18989 7506 1 11 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.339 0.461 18989 7507 1 11 . 1 1 39 39 LYS CB C 39 36.500 36.500 34.329 2.171 18989 7508 1 11 . 1 1 40 40 CYS N N 40 125.100 125.100 121.329 3.771 18989 7509 1 11 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.405 0.005 18989 7510 1 11 . 1 1 40 40 CYS C C 40 173.000 173.000 173.487 -0.487 18989 7511 1 11 . 1 1 40 40 CYS CA C 40 57.100 57.100 56.819 0.281 18989 7512 1 11 . 1 1 40 40 CYS CB C 40 30.100 30.100 30.343 -0.243 18989 7513 1 11 . 1 1 41 41 TRP N N 41 124.300 124.300 125.559 -1.259 18989 7514 1 11 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.981 -0.151 18989 7515 1 11 . 1 1 41 41 TRP C C 41 174.100 174.100 175.163 -1.063 18989 7516 1 11 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.308 -0.008 18989 7517 1 11 . 1 1 41 41 TRP CB C 41 32.400 32.400 31.782 0.618 18989 7518 1 11 . 1 1 42 42 TRP N N 42 123.700 123.700 126.452 -2.752 18989 7519 1 11 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.819 0.011 18989 7520 1 11 . 1 1 42 42 TRP C C 42 178.200 178.200 176.158 2.042 18989 7521 1 11 . 1 1 42 42 TRP CA C 42 57.000 57.000 55.145 1.855 18989 7522 1 11 . 1 1 42 42 TRP CB C 42 31.600 31.600 31.343 0.257 18989 7523 1 11 . 1 1 43 43 ASP N N 43 124.400 124.400 126.736 -2.336 18989 7524 1 11 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.349 0.331 18989 7525 1 11 . 1 1 43 43 ASP C C 43 176.300 176.300 176.923 -0.623 18989 7526 1 11 . 1 1 43 43 ASP CA C 43 56.300 56.300 57.258 -0.958 18989 7527 1 11 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.656 -0.356 18989 7528 1 11 . 1 1 44 44 GLU N N 44 119.400 119.400 119.252 0.148 18989 7529 1 11 . 1 1 44 44 GLU HA H 44 4.270 4.270 3.686 0.584 18989 7530 1 11 . 1 1 44 44 GLU C C 44 176.500 176.500 177.459 -0.959 18989 7531 1 11 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.251 -0.651 18989 7532 1 11 . 1 1 44 44 GLU CB C 44 30.200 30.200 28.529 1.671 18989 7533 1 11 . 1 1 45 45 ASP N N 45 118.300 118.300 118.170 0.130 18989 7534 1 11 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.180 0.300 18989 7535 1 11 . 1 1 45 45 ASP C C 45 175.900 175.900 177.398 -1.498 18989 7536 1 11 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.067 -0.067 18989 7537 1 11 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.732 -0.532 18989 7538 1 11 . 1 1 46 46 GLU N N 46 118.200 118.200 117.610 0.590 18989 7539 1 11 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.263 0.197 18989 7540 1 11 . 1 1 46 46 GLU C C 46 175.200 175.200 176.988 -1.788 18989 7541 1 11 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.935 -0.336 18989 7542 1 11 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.549 0.251 18989 7543 1 11 . 1 1 47 47 GLY N N 47 106.400 106.400 108.425 -2.025 18989 7544 1 11 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.296 -0.696 18989 7545 1 11 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.647 -0.057 18989 7546 1 11 . 1 1 48 48 PRO C C 48 173.400 173.400 175.564 -2.164 18989 7547 1 11 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.644 0.456 18989 7548 1 11 . 1 1 48 48 PRO CB C 48 29.100 29.100 30.378 -1.278 18989 7549 1 11 . 1 1 49 49 VAL N N 49 121.900 121.900 115.705 6.195 18989 7550 1 11 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.570 0.040 18989 7551 1 11 . 1 1 49 49 VAL C C 49 175.100 175.100 175.663 -0.563 18989 7552 1 11 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.240 1.060 18989 7553 1 11 . 1 1 49 49 VAL CB C 49 35.500 35.500 33.779 1.721 18989 7554 1 11 . 1 1 50 50 VAL N N 50 121.700 121.700 121.134 0.566 18989 7555 1 11 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.825 -0.525 18989 7556 1 11 . 1 1 50 50 VAL C C 50 177.400 177.400 177.510 -0.110 18989 7557 1 11 . 1 1 50 50 VAL CA C 50 66.200 66.200 64.062 2.138 18989 7558 1 11 . 1 1 50 50 VAL CB C 50 31.300 31.300 31.464 -0.164 18989 7559 1 11 . 1 1 51 51 GLY N N 51 115.800 115.800 116.662 -0.862 18989 7560 1 11 . 1 1 51 51 GLY C C 51 174.200 174.200 174.249 -0.049 18989 7561 1 11 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.813 -0.213 18989 7562 1 11 . 1 1 52 52 ALA N N 52 123.000 123.000 124.111 -1.111 18989 7563 1 11 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.274 0.276 18989 7564 1 11 . 1 1 52 52 ALA C C 52 177.300 177.300 175.255 2.045 18989 7565 1 11 . 1 1 52 52 ALA CA C 52 52.800 52.800 52.020 0.780 18989 7566 1 11 . 1 1 52 52 ALA CB C 52 23.100 23.100 20.097 3.003 18989 7567 1 11 . 1 1 53 53 HIS N N 53 115.900 115.900 115.400 0.500 18989 7568 1 11 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.577 0.443 18989 7569 1 11 . 1 1 53 53 HIS C C 53 174.200 174.200 174.245 -0.045 18989 7570 1 11 . 1 1 53 53 HIS CA C 53 55.200 55.200 54.352 0.848 18989 7571 1 11 . 1 1 53 53 HIS CB C 53 32.100 32.100 32.380 -0.280 18989 7572 1 11 . 1 1 54 54 PHE N N 54 115.800 115.800 119.318 -3.518 18989 7573 1 11 . 1 1 54 54 PHE HA H 54 5.150 5.150 5.042 0.108 18989 7574 1 11 . 1 1 54 54 PHE C C 54 172.600 172.600 173.303 -0.703 18989 7575 1 11 . 1 1 54 54 PHE CA C 54 55.500 55.500 56.077 -0.577 18989 7576 1 11 . 1 1 54 54 PHE CB C 54 41.700 41.700 41.003 0.697 18989 7577 1 11 . 1 1 55 55 THR N N 55 118.300 118.300 114.705 3.595 18989 7578 1 11 . 1 1 55 55 THR HA H 55 4.770 4.770 5.092 -0.322 18989 7579 1 11 . 1 1 55 55 THR C C 55 171.800 171.800 173.658 -1.858 18989 7580 1 11 . 1 1 55 55 THR CA C 55 61.000 61.000 61.617 -0.617 18989 7581 1 11 . 1 1 55 55 THR CB C 55 70.200 70.200 72.915 -2.715 18989 7582 1 11 . 1 1 56 56 GLY N N 56 110.500 110.500 109.394 1.106 18989 7583 1 11 . 1 1 56 56 GLY C C 56 171.100 171.100 172.572 -1.472 18989 7584 1 11 . 1 1 56 56 GLY CA C 56 44.300 44.300 45.553 -1.253 18989 7585 1 11 . 1 1 57 57 ARG N N 57 123.800 123.800 125.032 -1.232 18989 7586 1 11 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.845 -0.185 18989 7587 1 11 . 1 1 57 57 ARG C C 57 172.900 172.900 175.859 -2.959 18989 7588 1 11 . 1 1 57 57 ARG CA C 57 55.300 55.300 54.599 0.701 18989 7589 1 11 . 1 1 57 57 ARG CB C 57 32.500 32.500 30.874 1.626 18989 7590 1 11 . 1 1 58 58 ASN N N 58 127.200 127.200 124.392 2.808 18989 7591 1 11 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.085 -0.025 18989 7592 1 11 . 1 1 58 58 ASN C C 58 173.100 173.100 173.659 -0.559 18989 7593 1 11 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.139 -1.239 18989 7594 1 11 . 1 1 58 58 ASN CB C 58 38.800 38.800 40.649 -1.849 18989 7595 1 11 . 1 1 59 59 VAL N N 59 121.400 121.400 128.530 -7.130 18989 7596 1 11 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.484 0.196 18989 7597 1 11 . 1 1 59 59 VAL C C 59 175.100 175.100 173.930 1.170 18989 7598 1 11 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.604 1.796 18989 7599 1 11 . 1 1 59 59 VAL CB C 59 35.800 35.800 33.819 1.981 18989 7600 1 11 . 1 1 60 60 THR N N 60 118.000 118.000 121.302 -3.302 18989 7601 1 11 . 1 1 60 60 THR HA H 60 5.000 5.000 4.958 0.042 18989 7602 1 11 . 1 1 60 60 THR CA C 60 58.900 58.900 58.725 0.175 18989 7603 1 11 . 1 1 60 60 THR CB C 60 70.200 70.200 70.604 -0.404 18989 7604 1 11 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.337 -0.057 18989 7605 1 11 . 1 1 61 61 PRO C C 61 177.700 177.700 177.163 0.537 18989 7606 1 11 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.317 1.183 18989 7607 1 11 . 1 1 61 61 PRO CB C 61 31.800 31.800 32.056 -0.257 18989 7608 1 11 . 1 1 62 62 GLU N N 62 111.700 111.700 117.673 -5.973 18989 7609 1 11 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.290 -0.010 18989 7610 1 11 . 1 1 62 62 GLU C C 62 176.500 176.500 177.051 -0.551 18989 7611 1 11 . 1 1 62 62 GLU CA C 62 57.600 57.600 57.481 0.119 18989 7612 1 11 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.189 0.811 18989 7613 1 11 . 1 1 63 63 ARG N N 63 118.000 118.000 119.162 -1.162 18989 7614 1 11 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.768 -0.078 18989 7615 1 11 . 1 1 63 63 ARG C C 63 174.000 174.000 174.366 -0.366 18989 7616 1 11 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.526 1.174 18989 7617 1 11 . 1 1 63 63 ARG CB C 63 33.700 33.700 34.041 -0.341 18989 7618 1 11 . 1 1 64 64 THR N N 64 120.700 120.700 117.179 3.521 18989 7619 1 11 . 1 1 64 64 THR HA H 64 5.780 5.780 5.649 0.131 18989 7620 1 11 . 1 1 64 64 THR C C 64 174.000 174.000 173.597 0.403 18989 7621 1 11 . 1 1 64 64 THR CA C 64 61.600 61.600 61.724 -0.124 18989 7622 1 11 . 1 1 64 64 THR CB C 64 71.700 71.700 70.779 0.921 18989 7623 1 11 . 1 1 65 65 TRP N N 65 128.000 128.000 129.064 -1.064 18989 7624 1 11 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.915 0.255 18989 7625 1 11 . 1 1 65 65 TRP C C 65 172.800 172.800 174.071 -1.271 18989 7626 1 11 . 1 1 65 65 TRP CA C 65 57.300 57.300 57.005 0.295 18989 7627 1 11 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.257 -0.357 18989 7628 1 11 . 1 1 66 66 GLU N N 66 120.800 120.800 124.542 -3.742 18989 7629 1 11 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.536 1.054 18989 7630 1 11 . 1 1 66 66 GLU C C 66 177.300 177.300 175.520 1.780 18989 7631 1 11 . 1 1 66 66 GLU CA C 66 54.200 54.200 55.014 -0.814 18989 7632 1 11 . 1 1 66 66 GLU CB C 66 32.700 32.700 30.108 2.592 18989 7633 1 11 . 1 1 67 67 THR N N 67 113.700 113.700 117.212 -3.512 18989 7634 1 11 . 1 1 67 67 THR HA H 67 4.750 4.750 4.810 -0.060 18989 7635 1 11 . 1 1 67 67 THR C C 67 173.300 173.300 174.570 -1.270 18989 7636 1 11 . 1 1 67 67 THR CA C 67 59.500 59.500 61.518 -2.018 18989 7637 1 11 . 1 1 67 67 THR CB C 67 71.500 71.500 70.529 0.971 18989 7638 1 11 . 1 1 68 68 ARG N N 68 125.300 125.300 128.518 -3.218 18989 7639 1 11 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.589 0.271 18989 7640 1 11 . 1 1 68 68 ARG C C 68 175.700 175.700 175.305 0.395 18989 7641 1 11 . 1 1 68 68 ARG CA C 68 55.000 55.000 55.904 -0.904 18989 7642 1 11 . 1 1 68 68 ARG CB C 68 31.700 31.700 31.081 0.619 18989 7643 1 11 . 1 1 69 69 SER N N 69 122.000 122.000 120.941 1.059 18989 7644 1 11 . 1 1 69 69 SER HA H 69 5.570 5.570 5.245 0.325 18989 7645 1 11 . 1 1 69 69 SER C C 69 172.200 172.200 172.829 -0.629 18989 7646 1 11 . 1 1 69 69 SER CA C 69 58.000 58.000 57.232 0.768 18989 7647 1 11 . 1 1 69 69 SER CB C 69 66.700 66.700 64.230 2.470 18989 7648 1 11 . 1 1 70 70 GLU N N 70 121.900 121.900 127.029 -5.129 18989 7649 1 11 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.937 0.263 18989 7650 1 11 . 1 1 70 70 GLU C C 70 176.000 176.000 176.164 -0.164 18989 7651 1 11 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.404 -0.804 18989 7652 1 11 . 1 1 70 70 GLU CB C 70 34.700 34.700 32.198 2.502 18989 7653 1 11 . 1 1 71 71 VAL N N 71 126.600 126.600 128.380 -1.780 18989 7654 1 11 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.228 0.022 18989 7655 1 11 . 1 1 71 71 VAL C C 71 177.600 177.600 176.732 0.868 18989 7656 1 11 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.605 1.195 18989 7657 1 11 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.931 1.269 18989 7658 1 11 . 1 1 72 72 ILE N N 72 123.200 123.200 126.594 -3.394 18989 7659 1 11 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.276 0.454 18989 7660 1 11 . 1 1 72 72 ILE C C 72 175.200 175.200 175.434 -0.234 18989 7661 1 11 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.902 -0.902 18989 7662 1 11 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.574 1.026 18989 7663 1 11 . 1 1 73 73 VAL N N 73 121.700 121.700 120.031 1.669 18989 7664 1 11 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.422 -0.222 18989 7665 1 11 . 1 1 73 73 VAL C C 73 172.000 172.000 173.534 -1.534 18989 7666 1 11 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.013 1.087 18989 7667 1 11 . 1 1 73 73 VAL CB C 73 34.700 34.700 36.139 -1.439 18989 7668 1 11 . 1 1 74 74 ALA N N 74 131.100 131.100 130.341 0.759 18989 7669 1 11 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.196 0.124 18989 7670 1 11 . 1 1 74 74 ALA C C 74 174.900 174.900 176.098 -1.198 18989 7671 1 11 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.618 1.082 18989 7672 1 11 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.687 -2.387 18989 7673 1 11 . 1 1 75 75 GLU N N 75 126.100 126.100 125.270 0.830 18989 7674 1 11 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.674 0.296 18989 7675 1 11 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.401 -0.301 18989 7676 1 11 . 1 1 75 75 GLU CB C 75 31.300 31.300 29.768 1.532 18989 7677 1 11 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.182 -1.562 18989 7678 1 11 . 1 1 76 76 PRO CA C 76 63.900 63.900 64.025 -0.124 18989 7679 1 11 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.403 0.497 18989 7680 1 11 . 1 1 77 77 ASN HA H 77 3.760 3.760 3.913 -0.153 18989 7681 1 11 . 1 1 77 77 ASN C C 77 172.700 172.700 174.115 -1.415 18989 7682 1 11 . 1 1 77 77 ASN CA C 77 55.100 55.100 54.171 0.929 18989 7683 1 11 . 1 1 77 77 ASN CB C 77 36.900 36.900 37.693 -0.793 18989 7684 1 11 . 1 1 78 78 ARG N N 78 115.300 115.300 116.920 -1.620 18989 7685 1 11 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.469 0.431 18989 7686 1 11 . 1 1 78 78 ARG C C 78 176.000 176.000 173.768 2.232 18989 7687 1 11 . 1 1 78 78 ARG CA C 78 58.300 58.300 57.264 1.036 18989 7688 1 11 . 1 1 78 78 ARG CB C 78 34.000 34.000 33.242 0.758 18989 7689 1 11 . 1 1 79 79 CYS N N 79 117.700 117.700 115.861 1.839 18989 7690 1 11 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.680 -0.010 18989 7691 1 11 . 1 1 79 79 CYS C C 79 172.200 172.200 172.840 -0.640 18989 7692 1 11 . 1 1 79 79 CYS CA C 79 58.200 58.200 56.614 1.586 18989 7693 1 11 . 1 1 79 79 CYS CB C 79 29.500 29.500 31.695 -2.195 18989 7694 1 11 . 1 1 80 80 PHE N N 80 129.500 129.500 124.232 5.268 18989 7695 1 11 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.133 0.387 18989 7696 1 11 . 1 1 80 80 PHE C C 80 173.400 173.400 174.328 -0.928 18989 7697 1 11 . 1 1 80 80 PHE CA C 80 57.900 57.900 57.004 0.896 18989 7698 1 11 . 1 1 80 80 PHE CB C 80 43.800 43.800 42.662 1.138 18989 7699 1 11 . 1 1 81 81 GLY N N 81 114.500 114.500 115.544 -1.044 18989 7700 1 11 . 1 1 81 81 GLY C C 81 171.900 171.900 172.389 -0.489 18989 7701 1 11 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.328 2.272 18989 7702 1 11 . 1 1 82 82 TRP N N 82 121.700 121.700 122.442 -0.742 18989 7703 1 11 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.589 0.201 18989 7704 1 11 . 1 1 82 82 TRP C C 82 171.500 171.500 173.451 -1.951 18989 7705 1 11 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.242 3.158 18989 7706 1 11 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.470 1.430 18989 7707 1 11 . 1 1 83 83 SER N N 83 113.600 113.600 115.442 -1.842 18989 7708 1 11 . 1 1 83 83 SER HA H 83 5.680 5.680 5.142 0.538 18989 7709 1 11 . 1 1 83 83 SER C C 83 174.500 174.500 174.258 0.242 18989 7710 1 11 . 1 1 83 83 SER CA C 83 54.800 54.800 56.481 -1.681 18989 7711 1 11 . 1 1 83 83 SER CB C 83 66.700 66.700 65.189 1.510 18989 7712 1 11 . 1 1 84 84 VAL N N 84 125.400 125.400 127.367 -1.967 18989 7713 1 11 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.476 0.374 18989 7714 1 11 . 1 1 84 84 VAL C C 84 176.500 176.500 176.595 -0.095 18989 7715 1 11 . 1 1 84 84 VAL CA C 84 61.400 61.400 63.297 -1.897 18989 7716 1 11 . 1 1 84 84 VAL CB C 84 34.600 34.600 31.601 2.999 18989 7717 1 11 . 1 1 85 85 THR N N 85 120.300 120.300 120.592 -0.292 18989 7718 1 11 . 1 1 85 85 THR HA H 85 3.720 3.720 3.929 -0.209 18989 7719 1 11 . 1 1 85 85 THR C C 85 173.500 173.500 174.454 -0.954 18989 7720 1 11 . 1 1 85 85 THR CA C 85 62.900 62.900 63.244 -0.344 18989 7721 1 11 . 1 1 85 85 THR CB C 85 66.600 66.600 68.457 -1.857 18989 7722 1 11 . 1 1 86 86 ASP N N 86 119.000 119.000 120.919 -1.919 18989 7723 1 11 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.302 -0.082 18989 7724 1 11 . 1 1 86 86 ASP C C 86 177.100 177.100 176.572 0.528 18989 7725 1 11 . 1 1 86 86 ASP CA C 86 54.700 54.700 56.019 -1.319 18989 7726 1 11 . 1 1 86 86 ASP CB C 86 39.700 39.700 40.680 -0.980 18989 7727 1 11 . 1 1 87 87 GLY N N 87 103.400 103.400 107.589 -4.189 18989 7728 1 11 . 1 1 87 87 GLY C C 87 175.000 175.000 173.030 1.970 18989 7729 1 11 . 1 1 87 87 GLY CA C 87 45.600 45.600 44.830 0.770 18989 7730 1 11 . 1 1 88 88 ASN N N 88 122.300 122.300 120.578 1.722 18989 7731 1 11 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.939 -0.829 18989 7732 1 11 . 1 1 88 88 ASN C C 88 174.500 174.500 173.846 0.654 18989 7733 1 11 . 1 1 88 88 ASN CA C 88 55.600 55.600 53.401 2.199 18989 7734 1 11 . 1 1 88 88 ASN CB C 88 38.200 38.200 41.263 -3.063 18989 7735 1 11 . 1 1 89 89 VAL N N 89 115.700 115.700 118.274 -2.574 18989 7736 1 11 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.523 0.307 18989 7737 1 11 . 1 1 89 89 VAL C C 89 174.700 174.700 174.331 0.369 18989 7738 1 11 . 1 1 89 89 VAL CA C 89 59.600 59.600 60.137 -0.537 18989 7739 1 11 . 1 1 89 89 VAL CB C 89 37.000 37.000 34.339 2.662 18989 7740 1 11 . 1 1 90 90 LYS N N 90 123.600 123.600 125.222 -1.622 18989 7741 1 11 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.734 0.276 18989 7742 1 11 . 1 1 90 90 LYS C C 90 174.100 174.100 174.591 -0.491 18989 7743 1 11 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.434 -0.534 18989 7744 1 11 . 1 1 90 90 LYS CB C 90 36.300 36.300 34.852 1.448 18989 7745 1 11 . 1 1 91 91 TRP N N 91 124.600 124.600 128.121 -3.521 18989 7746 1 11 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.986 0.114 18989 7747 1 11 . 1 1 91 91 TRP C C 91 174.600 174.600 175.168 -0.568 18989 7748 1 11 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.321 -0.421 18989 7749 1 11 . 1 1 91 91 TRP CB C 91 30.800 30.800 30.505 0.295 18989 7750 1 11 . 1 1 92 92 ILE N N 92 118.000 118.000 122.948 -4.948 18989 7751 1 11 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.373 0.187 18989 7752 1 11 . 1 1 92 92 ILE C C 92 176.300 176.300 174.496 1.804 18989 7753 1 11 . 1 1 92 92 ILE CA C 92 60.800 60.800 58.880 1.920 18989 7754 1 11 . 1 1 92 92 ILE CB C 92 42.100 42.100 38.489 3.611 18989 7755 1 11 . 1 1 93 93 TYR N N 93 127.700 127.700 128.292 -0.592 18989 7756 1 11 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.142 0.708 18989 7757 1 11 . 1 1 93 93 TYR C C 93 175.300 175.300 175.578 -0.278 18989 7758 1 11 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.888 0.212 18989 7759 1 11 . 1 1 93 93 TYR CB C 93 40.800 40.800 39.023 1.777 18989 7760 1 11 . 1 1 94 94 SER N N 94 117.900 117.900 120.282 -2.382 18989 7761 1 11 . 1 1 94 94 SER HA H 94 5.510 5.510 4.898 0.612 18989 7762 1 11 . 1 1 94 94 SER C C 94 172.700 172.700 173.455 -0.755 18989 7763 1 11 . 1 1 94 94 SER CA C 94 57.300 57.300 58.446 -1.145 18989 7764 1 11 . 1 1 94 94 SER CB C 94 65.600 65.600 64.475 1.125 18989 7765 1 11 . 1 1 95 95 MET N N 95 119.600 119.600 126.143 -6.543 18989 7766 1 11 . 1 1 95 95 MET HA H 95 5.840 5.840 5.298 0.542 18989 7767 1 11 . 1 1 95 95 MET C C 95 173.800 173.800 175.261 -1.461 18989 7768 1 11 . 1 1 95 95 MET CA C 95 54.200 54.200 54.601 -0.401 18989 7769 1 11 . 1 1 95 95 MET CB C 95 37.400 37.400 36.259 1.141 18989 7770 1 11 . 1 1 96 96 GLU N N 96 119.100 119.100 123.677 -4.577 18989 7771 1 11 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.872 0.098 18989 7772 1 11 . 1 1 96 96 GLU CA C 96 52.900 52.900 52.640 0.260 18989 7773 1 11 . 1 1 96 96 GLU CB C 96 33.000 33.000 29.561 3.439 18989 7774 1 11 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.478 0.342 18989 7775 1 11 . 1 1 97 97 PRO C C 97 176.300 176.300 176.152 0.148 18989 7776 1 11 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.818 0.282 18989 7777 1 11 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.226 1.474 18989 7778 1 11 . 1 1 98 98 LEU N N 98 122.900 122.900 126.130 -3.230 18989 7779 1 11 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.580 -0.050 18989 7780 1 11 . 1 1 98 98 LEU C C 98 176.200 176.200 177.382 -1.182 18989 7781 1 11 . 1 1 98 98 LEU CA C 98 54.200 54.200 53.136 1.064 18989 7782 1 11 . 1 1 98 98 LEU CB C 98 44.100 44.100 43.013 1.087 18989 7783 1 11 . 1 1 99 99 GLU N N 99 124.700 124.700 119.419 5.281 18989 7784 1 11 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.165 -0.305 18989 7785 1 11 . 1 1 99 99 GLU C C 99 176.900 176.900 178.153 -1.253 18989 7786 1 11 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.454 1.046 18989 7787 1 11 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.884 -1.884 18989 7788 1 11 . 1 1 100 100 GLU N N 100 118.200 118.200 117.672 0.528 18989 7789 1 11 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.230 0.200 18989 7790 1 11 . 1 1 100 100 GLU C C 100 176.200 176.200 176.704 -0.504 18989 7791 1 11 . 1 1 100 100 GLU CA C 100 56.400 56.400 57.009 -0.609 18989 7792 1 11 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.082 -0.182 18989 7793 1 11 . 1 1 101 101 GLY N N 101 110.100 110.100 105.650 4.450 18989 7794 1 11 . 1 1 101 101 GLY C C 101 174.100 174.100 172.779 1.321 18989 7795 1 11 . 1 1 101 101 GLY CA C 101 45.000 45.000 44.961 0.039 18989 7796 1 11 . 1 1 102 102 THR N N 102 120.200 120.200 116.838 3.362 18989 7797 1 11 . 1 1 102 102 THR HA H 102 4.850 4.850 5.250 -0.400 18989 7798 1 11 . 1 1 102 102 THR C C 102 172.700 172.700 173.916 -1.216 18989 7799 1 11 . 1 1 102 102 THR CA C 102 63.700 63.700 62.028 1.672 18989 7800 1 11 . 1 1 102 102 THR CB C 102 73.600 73.600 72.197 1.403 18989 7801 1 11 . 1 1 103 103 VAL N N 103 125.600 125.600 127.786 -2.186 18989 7802 1 11 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.462 0.448 18989 7803 1 11 . 1 1 103 103 VAL C C 103 175.000 175.000 175.459 -0.459 18989 7804 1 11 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.696 -0.396 18989 7805 1 11 . 1 1 103 103 VAL CB C 103 32.700 32.700 30.896 1.804 18989 7806 1 11 . 1 1 104 104 LEU N N 104 133.900 133.900 131.778 2.122 18989 7807 1 11 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.643 0.497 18989 7808 1 11 . 1 1 104 104 LEU C C 104 173.800 173.800 175.440 -1.640 18989 7809 1 11 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.386 -1.086 18989 7810 1 11 . 1 1 104 104 LEU CB C 104 46.100 46.100 41.279 4.821 18989 7811 1 11 . 1 1 105 105 THR N N 105 124.400 124.400 124.781 -0.381 18989 7812 1 11 . 1 1 105 105 THR HA H 105 5.210 5.210 5.002 0.208 18989 7813 1 11 . 1 1 105 105 THR C C 105 173.500 173.500 173.450 0.050 18989 7814 1 11 . 1 1 105 105 THR CA C 105 61.500 61.500 61.942 -0.442 18989 7815 1 11 . 1 1 105 105 THR CB C 105 71.100 71.100 70.475 0.625 18989 7816 1 11 . 1 1 106 106 GLU N N 106 126.900 126.900 126.254 0.646 18989 7817 1 11 . 1 1 106 106 GLU HA H 106 5.360 5.360 5.450 -0.090 18989 7818 1 11 . 1 1 106 106 GLU C C 106 173.400 173.400 175.289 -1.889 18989 7819 1 11 . 1 1 106 106 GLU CA C 106 54.400 54.400 53.605 0.795 18989 7820 1 11 . 1 1 106 106 GLU CB C 106 32.000 32.000 33.172 -1.173 18989 7821 1 11 . 1 1 107 107 SER N N 107 120.800 120.800 115.859 4.941 18989 7822 1 11 . 1 1 107 107 SER HA H 107 5.470 5.470 4.833 0.637 18989 7823 1 11 . 1 1 107 107 SER C C 107 171.600 171.600 172.960 -1.360 18989 7824 1 11 . 1 1 107 107 SER CA C 107 56.000 56.000 57.764 -1.764 18989 7825 1 11 . 1 1 107 107 SER CB C 107 66.700 66.700 64.813 1.887 18989 7826 1 11 . 1 1 108 108 TRP N N 108 124.600 124.600 129.163 -4.563 18989 7827 1 11 . 1 1 108 108 TRP HA H 108 4.680 4.680 3.960 0.720 18989 7828 1 11 . 1 1 108 108 TRP C C 108 175.000 175.000 174.153 0.847 18989 7829 1 11 . 1 1 108 108 TRP CA C 108 55.900 55.900 56.310 -0.410 18989 7830 1 11 . 1 1 108 108 TRP CB C 108 33.600 33.600 30.052 3.548 18989 7831 1 11 . 1 1 109 109 GLU N N 109 127.200 127.200 128.375 -1.175 18989 7832 1 11 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.082 0.418 18989 7833 1 11 . 1 1 109 109 GLU C C 109 172.300 172.300 174.421 -2.121 18989 7834 1 11 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.542 -0.442 18989 7835 1 11 . 1 1 109 109 GLU CB C 109 32.900 32.900 30.958 1.942 18989 7836 1 11 . 1 1 110 110 PHE N N 110 129.400 129.400 127.090 2.310 18989 7837 1 11 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.603 0.087 18989 7838 1 11 . 1 1 110 110 PHE C C 110 177.100 177.100 175.667 1.433 18989 7839 1 11 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.580 -2.580 18989 7840 1 11 . 1 1 110 110 PHE CB C 110 38.500 38.500 39.199 -0.699 18989 7841 1 11 . 1 1 111 111 THR N N 111 117.800 117.800 119.500 -1.700 18989 7842 1 11 . 1 1 111 111 THR HA H 111 4.510 4.510 4.508 0.002 18989 7843 1 11 . 1 1 111 111 THR CA C 111 61.800 61.800 59.997 1.803 18989 7844 1 11 . 1 1 111 111 THR CB C 111 66.100 66.100 68.452 -2.352 18989 7845 1 11 . 1 1 113 113 LYS HA H 113 3.990 3.990 3.898 0.092 18989 7846 1 11 . 1 1 113 113 LYS C C 113 179.200 179.200 178.551 0.649 18989 7847 1 11 . 1 1 114 114 GLY N N 114 110.100 110.100 105.164 4.936 18989 7848 1 11 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.400 0.700 18989 7849 1 11 . 1 1 115 115 GLN N N 115 121.100 121.100 122.417 -1.317 18989 7850 1 11 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.286 -0.276 18989 7851 1 11 . 1 1 115 115 GLN C C 115 178.000 178.000 178.258 -0.258 18989 7852 1 11 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.649 1.251 18989 7853 1 11 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.437 0.963 18989 7854 1 11 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.135 0.005 18989 7855 1 11 . 1 1 116 116 ARG C C 116 177.900 177.900 178.497 -0.597 18989 7856 1 11 . 1 1 116 116 ARG CA C 116 59.500 59.500 58.507 0.993 18989 7857 1 11 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.508 0.492 18989 7858 1 11 . 1 1 117 117 PHE N N 117 120.800 120.800 120.487 0.313 18989 7859 1 11 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.091 0.379 18989 7860 1 11 . 1 1 117 117 PHE C C 117 178.100 178.100 177.596 0.504 18989 7861 1 11 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.476 -0.276 18989 7862 1 11 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.792 0.208 18989 7863 1 11 . 1 1 118 118 PHE N N 118 119.600 119.600 116.541 3.059 18989 7864 1 11 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.225 0.005 18989 7865 1 11 . 1 1 118 118 PHE C C 118 178.500 178.500 178.074 0.426 18989 7866 1 11 . 1 1 118 118 PHE CA C 118 62.300 62.300 60.359 1.941 18989 7867 1 11 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.316 0.884 18989 7868 1 11 . 1 1 119 119 HIS N N 119 120.900 120.900 119.464 1.436 18989 7869 1 11 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.361 0.259 18989 7870 1 11 . 1 1 119 119 HIS C C 119 178.500 178.500 176.312 2.188 18989 7871 1 11 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.717 0.183 18989 7872 1 11 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.414 -0.714 18989 7873 1 11 . 1 1 120 120 ASP N N 120 120.400 120.400 118.422 1.978 18989 7874 1 11 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.418 -0.088 18989 7875 1 11 . 1 1 120 120 ASP C C 120 177.500 177.500 177.844 -0.344 18989 7876 1 11 . 1 1 120 120 ASP CA C 120 57.200 57.200 55.613 1.587 18989 7877 1 11 . 1 1 120 120 ASP CB C 120 40.500 40.500 41.160 -0.660 18989 7878 1 11 . 1 1 121 121 LYS N N 121 118.100 118.100 117.848 0.252 18989 7879 1 11 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.812 -0.002 18989 7880 1 11 . 1 1 121 121 LYS C C 121 178.200 178.200 176.982 1.218 18989 7881 1 11 . 1 1 121 121 LYS CA C 121 58.100 58.100 58.522 -0.422 18989 7882 1 11 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.839 0.361 18989 7883 1 11 . 1 1 122 122 PHE N N 122 112.800 112.800 114.301 -1.501 18989 7884 1 11 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.617 0.063 18989 7885 1 11 . 1 1 122 122 PHE C C 122 177.600 177.600 176.970 0.630 18989 7886 1 11 . 1 1 122 122 PHE CA C 122 58.100 58.100 58.875 -0.775 18989 7887 1 11 . 1 1 122 122 PHE CB C 122 40.000 40.000 41.406 -1.406 18989 7888 1 11 . 1 1 123 123 GLY N N 123 112.200 112.200 108.466 3.734 18989 7889 1 11 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.746 0.554 18989 7890 1 11 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.594 -0.014 18989 7891 1 11 . 1 1 124 124 ASP C C 124 177.700 177.700 178.100 -0.400 18989 7892 1 11 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.639 0.161 18989 7893 1 11 . 1 1 124 124 ASP CB C 124 40.100 40.100 41.181 -1.081 18989 7894 1 11 . 1 1 125 125 LYS N N 125 118.400 118.400 120.119 -1.719 18989 7895 1 11 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.212 0.458 18989 7896 1 11 . 1 1 125 125 LYS C C 125 177.100 177.100 177.417 -0.317 18989 7897 1 11 . 1 1 125 125 LYS CA C 125 56.000 56.000 57.307 -1.307 18989 7898 1 11 . 1 1 125 125 LYS CB C 125 32.300 32.300 31.809 0.491 18989 7899 1 11 . 1 1 126 126 SER N N 126 116.600 116.600 116.382 0.218 18989 7900 1 11 . 1 1 126 126 SER HA H 126 3.830 3.830 4.406 -0.576 18989 7901 1 11 . 1 1 126 126 SER C C 126 175.700 175.700 175.926 -0.226 18989 7902 1 11 . 1 1 126 126 SER CA C 126 62.700 62.700 60.809 1.891 18989 7903 1 11 . 1 1 126 126 SER CB C 126 63.000 63.000 62.636 0.364 18989 7904 1 11 . 1 1 127 127 ILE N N 127 122.300 122.300 121.375 0.925 18989 7905 1 11 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.738 0.072 18989 7906 1 11 . 1 1 127 127 ILE C C 127 178.500 178.500 177.203 1.297 18989 7907 1 11 . 1 1 127 127 ILE CA C 127 65.000 65.000 64.493 0.506 18989 7908 1 11 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.653 -0.853 18989 7909 1 11 . 1 1 128 128 GLU N N 128 120.500 120.500 120.177 0.323 18989 7910 1 11 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.785 0.315 18989 7911 1 11 . 1 1 128 128 GLU C C 128 179.400 179.400 178.638 0.762 18989 7912 1 11 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.659 -0.359 18989 7913 1 11 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.208 0.492 18989 7914 1 11 . 1 1 129 129 GLU N N 129 118.800 118.800 118.368 0.432 18989 7915 1 11 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.773 0.137 18989 7916 1 11 . 1 1 129 129 GLU C C 129 179.900 179.900 179.272 0.628 18989 7917 1 11 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.873 0.126 18989 7918 1 11 . 1 1 129 129 GLU CB C 129 29.200 29.200 28.973 0.227 18989 7919 1 11 . 1 1 130 130 ILE N N 130 122.700 122.700 115.637 7.063 18989 7920 1 11 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.929 -0.449 18989 7921 1 11 . 1 1 130 130 ILE C C 130 177.600 177.600 177.891 -0.291 18989 7922 1 11 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.708 1.692 18989 7923 1 11 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.956 0.344 18989 7924 1 11 . 1 1 131 131 GLU N N 131 120.100 120.100 121.091 -0.991 18989 7925 1 11 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.979 0.411 18989 7926 1 11 . 1 1 131 131 GLU C C 131 178.800 178.800 178.644 0.156 18989 7927 1 11 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.599 -0.999 18989 7928 1 11 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.627 -0.727 18989 7929 1 11 . 1 1 132 132 LYS N N 132 118.300 118.300 119.231 -0.931 18989 7930 1 11 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.957 0.003 18989 7931 1 11 . 1 1 132 132 LYS C C 132 180.400 180.400 178.874 1.526 18989 7932 1 11 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.222 1.078 18989 7933 1 11 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.350 0.350 18989 7934 1 11 . 1 1 133 133 ARG N N 133 118.400 118.400 118.525 -0.125 18989 7935 1 11 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.940 0.120 18989 7936 1 11 . 1 1 133 133 ARG C C 133 178.600 178.600 178.665 -0.065 18989 7937 1 11 . 1 1 133 133 ARG CA C 133 58.000 58.000 59.111 -1.111 18989 7938 1 11 . 1 1 133 133 ARG CB C 133 29.400 29.400 30.058 -0.658 18989 7939 1 11 . 1 1 134 134 ARG N N 134 122.500 122.500 120.023 2.477 18989 7940 1 11 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.178 -0.568 18989 7941 1 11 . 1 1 134 134 ARG C C 134 177.600 177.600 178.514 -0.914 18989 7942 1 11 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.135 0.265 18989 7943 1 11 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.135 0.865 18989 7944 1 11 . 1 1 135 135 LEU N N 135 118.200 118.200 119.531 -1.331 18989 7945 1 11 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.938 -0.128 18989 7946 1 11 . 1 1 135 135 LEU C C 135 179.700 179.700 178.634 1.066 18989 7947 1 11 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.428 0.272 18989 7948 1 11 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.626 -0.226 18989 7949 1 11 . 1 1 136 136 ALA N N 136 120.400 120.400 120.996 -0.596 18989 7950 1 11 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.946 0.084 18989 7951 1 11 . 1 1 136 136 ALA C C 136 180.500 180.500 178.979 1.521 18989 7952 1 11 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.950 -0.249 18989 7953 1 11 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.865 0.235 18989 7954 1 11 . 1 1 137 137 ALA N N 137 123.200 123.200 121.195 2.005 18989 7955 1 11 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.903 -0.003 18989 7956 1 11 . 1 1 137 137 ALA C C 137 178.700 178.700 179.395 -0.695 18989 7957 1 11 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.202 1.099 18989 7958 1 11 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.915 -2.115 18989 7959 1 11 . 1 1 138 138 ILE N N 138 115.400 115.400 117.657 -2.257 18989 7960 1 11 . 1 1 138 138 ILE HA H 138 2.830 2.830 3.253 -0.423 18989 7961 1 11 . 1 1 138 138 ILE C C 138 177.800 177.800 177.595 0.205 18989 7962 1 11 . 1 1 138 138 ILE CA C 138 64.200 64.200 63.018 1.182 18989 7963 1 11 . 1 1 138 138 ILE CB C 138 37.400 37.400 36.367 1.033 18989 7964 1 11 . 1 1 139 139 THR N N 139 109.500 109.500 115.436 -5.936 18989 7965 1 11 . 1 1 139 139 THR HA H 139 4.150 4.150 4.164 -0.014 18989 7966 1 11 . 1 1 139 139 THR C C 139 177.300 177.300 176.219 1.081 18989 7967 1 11 . 1 1 139 139 THR CA C 139 64.000 64.000 66.267 -2.267 18989 7968 1 11 . 1 1 139 139 THR CB C 139 69.600 69.600 69.174 0.426 18989 7969 1 11 . 1 1 140 140 GLY N N 140 110.800 110.800 109.771 1.029 18989 7970 1 11 . 1 1 140 140 GLY C C 140 176.700 176.700 175.588 1.112 18989 7971 1 11 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.430 0.370 18989 7972 1 11 . 1 1 141 141 ILE N N 141 122.700 122.700 121.720 0.980 18989 7973 1 11 . 1 1 141 141 ILE HA H 141 4.160 4.160 3.879 0.281 18989 7974 1 11 . 1 1 141 141 ILE CA C 141 68.300 68.300 66.942 1.358 18989 7975 1 11 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.043 0.257 18989 7976 1 11 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.383 -0.033 18989 7977 1 11 . 1 1 142 142 PRO C C 142 179.300 179.300 178.891 0.409 18989 7978 1 11 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.791 0.909 18989 7979 1 11 . 1 1 142 142 PRO CB C 142 31.200 31.200 30.876 0.324 18989 7980 1 11 . 1 1 143 143 GLU N N 143 113.900 113.900 120.045 -6.145 18989 7981 1 11 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.114 0.056 18989 7982 1 11 . 1 1 143 143 GLU C C 143 179.600 179.600 178.661 0.939 18989 7983 1 11 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.572 -0.272 18989 7984 1 11 . 1 1 143 143 GLU CB C 143 30.000 30.000 29.369 0.631 18989 7985 1 11 . 1 1 144 144 THR N N 144 119.900 119.900 117.764 2.136 18989 7986 1 11 . 1 1 144 144 THR HA H 144 4.290 4.290 4.053 0.237 18989 7987 1 11 . 1 1 144 144 THR C C 144 175.800 175.800 176.968 -1.168 18989 7988 1 11 . 1 1 144 144 THR CA C 144 67.000 67.000 66.598 0.402 18989 7989 1 11 . 1 1 144 144 THR CB C 144 69.500 69.500 68.632 0.868 18989 7990 1 11 . 1 1 145 145 LEU N N 145 120.300 120.300 121.651 -1.351 18989 7991 1 11 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.128 -0.218 18989 7992 1 11 . 1 1 145 145 LEU C C 145 178.700 178.700 178.833 -0.133 18989 7993 1 11 . 1 1 145 145 LEU CA C 145 58.600 58.600 58.334 0.266 18989 7994 1 11 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.879 -0.379 18989 7995 1 11 . 1 1 146 146 VAL N N 146 117.600 117.600 118.013 -0.413 18989 7996 1 11 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.690 -0.010 18989 7997 1 11 . 1 1 146 146 VAL C C 146 177.700 177.700 177.850 -0.150 18989 7998 1 11 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.498 -0.398 18989 7999 1 11 . 1 1 146 146 VAL CB C 146 32.000 32.000 31.157 0.843 18989 8000 1 11 . 1 1 147 147 ALA N N 147 123.600 123.600 122.774 0.826 18989 8001 1 11 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.122 0.108 18989 8002 1 11 . 1 1 147 147 ALA C C 147 180.400 180.400 179.733 0.667 18989 8003 1 11 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.342 0.258 18989 8004 1 11 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.444 0.356 18989 8005 1 11 . 1 1 148 148 ILE N N 148 119.600 119.600 119.720 -0.120 18989 8006 1 11 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.736 -0.426 18989 8007 1 11 . 1 1 148 148 ILE C C 148 177.100 177.100 178.034 -0.934 18989 8008 1 11 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.333 0.967 18989 8009 1 11 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.876 0.324 18989 8010 1 11 . 1 1 149 149 GLN N N 149 119.200 119.200 119.235 -0.035 18989 8011 1 11 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.934 -0.264 18989 8012 1 11 . 1 1 149 149 GLN C C 149 178.000 178.000 178.051 -0.051 18989 8013 1 11 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.357 0.743 18989 8014 1 11 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.744 0.856 18989 8015 1 11 . 1 1 150 150 ARG N N 150 120.500 120.500 119.821 0.679 18989 8016 1 11 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.134 -0.084 18989 8017 1 11 . 1 1 150 150 ARG C C 150 179.000 179.000 178.615 0.385 18989 8018 1 11 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.011 0.289 18989 8019 1 11 . 1 1 150 150 ARG CB C 150 30.000 30.000 29.941 0.059 18989 8020 1 11 . 1 1 151 151 ILE N N 151 119.100 119.100 119.905 -0.805 18989 8021 1 11 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.802 -0.152 18989 8022 1 11 . 1 1 151 151 ILE C C 151 178.500 178.500 177.803 0.697 18989 8023 1 11 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.411 0.889 18989 8024 1 11 . 1 1 151 151 ILE CB C 151 39.000 39.000 37.924 1.076 18989 8025 1 11 . 1 1 152 152 LEU N N 152 117.100 117.100 118.988 -1.888 18989 8026 1 11 . 1 1 152 152 LEU HA H 152 4.080 4.080 4.007 0.073 18989 8027 1 11 . 1 1 152 152 LEU C C 152 178.700 178.700 179.071 -0.371 18989 8028 1 11 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.425 -0.425 18989 8029 1 11 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.701 1.199 18989 8030 1 11 . 1 1 153 153 GLU N N 153 117.800 117.800 119.525 -1.725 18989 8031 1 11 . 1 1 153 153 GLU HA H 153 4.170 4.170 4.117 0.053 18989 8032 1 11 . 1 1 153 153 GLU C C 153 178.300 178.300 178.984 -0.684 18989 8033 1 11 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.205 -0.505 18989 8034 1 11 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.882 -0.582 18989 8035 1 11 . 1 1 154 154 VAL N N 154 119.500 119.500 119.263 0.237 18989 8036 1 11 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.727 0.273 18989 8037 1 11 . 1 1 154 154 VAL C C 154 177.500 177.500 177.479 0.021 18989 8038 1 11 . 1 1 154 154 VAL CA C 154 64.700 64.700 65.426 -0.726 18989 8039 1 11 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.286 0.914 18989 8040 1 11 . 1 1 155 155 GLU N N 155 121.300 121.300 119.166 2.134 18989 8041 1 11 . 1 1 155 155 GLU HA H 155 4.180 4.180 3.719 0.461 18989 8042 1 11 . 1 1 155 155 GLU C C 155 177.600 177.600 178.847 -1.247 18989 8043 1 11 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.775 -0.775 18989 8044 1 11 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.334 0.366 18989 8045 1 11 . 1 1 156 156 LEU N N 156 120.800 120.800 117.474 3.326 18989 8046 1 11 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.257 -0.027 18989 8047 1 11 . 1 1 156 156 LEU C C 156 178.000 178.000 178.407 -0.407 18989 8048 1 11 . 1 1 156 156 LEU CA C 156 56.200 56.200 56.613 -0.413 18989 8049 1 11 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.623 -0.323 18989 8050 1 11 . 1 1 157 157 GLU N N 157 119.700 119.700 116.477 3.223 18989 8051 1 11 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.647 -0.517 18989 8052 1 11 . 1 1 157 157 GLU C C 157 177.000 177.000 175.374 1.626 18989 8053 1 11 . 1 1 157 157 GLU CA C 157 57.400 57.400 53.971 3.429 18989 8054 1 11 . 1 1 157 157 GLU CB C 157 29.800 29.800 28.878 0.921 18989 8055 1 11 . 1 1 158 158 HIS N N 158 117.700 117.700 122.250 -4.550 18989 8056 1 11 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.477 0.153 18989 8057 1 11 . 1 1 158 158 HIS C C 158 173.900 173.900 176.272 -2.372 18989 8058 1 11 . 1 1 158 158 HIS CA C 158 56.000 56.000 57.955 -1.955 18989 8059 1 11 . 1 1 158 158 HIS CB C 158 30.000 30.000 28.870 1.130 18989 8060 1 11 . 1 1 159 159 HIS N N 159 125.200 125.200 120.164 5.036 18989 8061 1 11 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.222 0.218 18989 8062 1 11 . 1 1 159 159 HIS CA C 159 57.300 57.300 57.229 0.071 18989 8063 1 11 . 1 1 159 159 HIS CB C 159 28.800 28.800 28.810 -0.010 18989 8064 1 12 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.272 0.128 18989 8065 1 12 . 1 1 2 2 PRO CA C 2 62.400 62.400 63.653 -1.253 18989 8066 1 12 . 1 1 2 2 PRO CB C 2 32.800 32.800 32.236 0.564 18989 8067 1 12 . 1 1 3 3 LYS HA H 3 4.480 4.480 3.960 0.520 18989 8068 1 12 . 1 1 3 3 LYS C C 3 176.600 176.600 175.823 0.777 18989 8069 1 12 . 1 1 3 3 LYS CA C 3 55.900 55.900 57.899 -1.999 18989 8070 1 12 . 1 1 3 3 LYS CB C 3 34.200 34.200 31.665 2.535 18989 8071 1 12 . 1 1 4 4 SER N N 4 117.800 117.800 111.309 6.491 18989 8072 1 12 . 1 1 4 4 SER HA H 4 4.220 4.220 4.640 -0.420 18989 8073 1 12 . 1 1 4 4 SER C C 4 174.100 174.100 173.445 0.655 18989 8074 1 12 . 1 1 4 4 SER CA C 4 59.700 59.700 57.279 2.421 18989 8075 1 12 . 1 1 4 4 SER CB C 4 63.700 63.700 65.511 -1.811 18989 8076 1 12 . 1 1 5 5 LEU N N 5 124.700 124.700 122.536 2.164 18989 8077 1 12 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.540 0.260 18989 8078 1 12 . 1 1 5 5 LEU C C 5 175.500 175.500 175.607 -0.107 18989 8079 1 12 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.963 -0.963 18989 8080 1 12 . 1 1 5 5 LEU CB C 5 43.200 43.200 40.573 2.627 18989 8081 1 12 . 1 1 6 6 THR N N 6 111.200 111.200 118.519 -7.319 18989 8082 1 12 . 1 1 6 6 THR HA H 6 5.620 5.620 4.963 0.657 18989 8083 1 12 . 1 1 6 6 THR C C 6 174.500 174.500 173.382 1.118 18989 8084 1 12 . 1 1 6 6 THR CA C 6 59.700 59.700 60.577 -0.876 18989 8085 1 12 . 1 1 6 6 THR CB C 6 73.000 73.000 70.855 2.146 18989 8086 1 12 . 1 1 7 7 PHE N N 7 120.700 120.700 128.215 -7.515 18989 8087 1 12 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.948 -0.198 18989 8088 1 12 . 1 1 7 7 PHE C C 7 172.100 172.100 173.239 -1.139 18989 8089 1 12 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.275 2.025 18989 8090 1 12 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.113 0.387 18989 8091 1 12 . 1 1 8 8 GLU N N 8 122.100 122.100 122.637 -0.537 18989 8092 1 12 . 1 1 8 8 GLU HA H 8 5.380 5.380 4.875 0.505 18989 8093 1 12 . 1 1 8 8 GLU C C 8 172.500 172.500 174.343 -1.843 18989 8094 1 12 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.143 0.357 18989 8095 1 12 . 1 1 8 8 GLU CB C 8 33.500 33.500 32.829 0.671 18989 8096 1 12 . 1 1 9 9 ASP N N 9 117.400 117.400 120.583 -3.183 18989 8097 1 12 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.805 0.015 18989 8098 1 12 . 1 1 9 9 ASP C C 9 173.500 173.500 173.953 -0.453 18989 8099 1 12 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.497 -0.397 18989 8100 1 12 . 1 1 9 9 ASP CB C 9 45.100 45.100 43.925 1.175 18989 8101 1 12 . 1 1 10 10 SER N N 10 113.600 113.600 116.337 -2.737 18989 8102 1 12 . 1 1 10 10 SER HA H 10 5.990 5.990 5.666 0.324 18989 8103 1 12 . 1 1 10 10 SER C C 10 172.600 172.600 173.155 -0.555 18989 8104 1 12 . 1 1 10 10 SER CA C 10 57.300 57.300 57.004 0.296 18989 8105 1 12 . 1 1 10 10 SER CB C 10 68.100 68.100 66.377 1.723 18989 8106 1 12 . 1 1 11 11 ILE N N 11 122.700 122.700 121.260 1.440 18989 8107 1 12 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.428 0.091 18989 8108 1 12 . 1 1 11 11 ILE C C 11 171.300 171.300 173.550 -2.250 18989 8109 1 12 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.785 0.215 18989 8110 1 12 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.102 1.298 18989 8111 1 12 . 1 1 12 12 ASN N N 12 124.600 124.600 126.074 -1.474 18989 8112 1 12 . 1 1 12 12 ASN HA H 12 5.280 5.280 5.047 0.233 18989 8113 1 12 . 1 1 12 12 ASN C C 12 174.700 174.700 175.293 -0.593 18989 8114 1 12 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.464 -0.164 18989 8115 1 12 . 1 1 12 12 ASN CB C 12 38.600 38.600 37.883 0.716 18989 8116 1 12 . 1 1 13 13 ILE N N 13 122.900 122.900 125.743 -2.843 18989 8117 1 12 . 1 1 13 13 ILE HA H 13 4.450 4.450 3.996 0.454 18989 8118 1 12 . 1 1 13 13 ILE C C 13 175.300 175.300 175.650 -0.350 18989 8119 1 12 . 1 1 13 13 ILE CA C 13 60.300 60.300 61.808 -1.508 18989 8120 1 12 . 1 1 13 13 ILE CB C 13 41.600 41.600 38.403 3.197 18989 8121 1 12 . 1 1 14 14 ALA N N 14 136.600 136.600 130.931 5.669 18989 8122 1 12 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.420 0.280 18989 8123 1 12 . 1 1 14 14 ALA C C 14 175.100 175.100 175.702 -0.602 18989 8124 1 12 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.248 -0.248 18989 8125 1 12 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.657 -1.357 18989 8126 1 12 . 1 1 15 15 ALA N N 15 122.100 122.100 123.983 -1.883 18989 8127 1 12 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.733 0.027 18989 8128 1 12 . 1 1 15 15 ALA CA C 15 50.000 50.000 50.142 -0.142 18989 8129 1 12 . 1 1 15 15 ALA CB C 15 21.100 21.100 20.034 1.066 18989 8130 1 12 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.560 0.050 18989 8131 1 12 . 1 1 16 16 PRO C C 16 179.200 179.200 177.239 1.961 18989 8132 1 12 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.841 -0.741 18989 8133 1 12 . 1 1 16 16 PRO CB C 16 33.100 33.100 33.030 0.070 18989 8134 1 12 . 1 1 17 17 ILE N N 17 124.400 124.400 120.915 3.485 18989 8135 1 12 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.824 0.166 18989 8136 1 12 . 1 1 17 17 ILE C C 17 175.800 175.800 176.666 -0.866 18989 8137 1 12 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.309 1.391 18989 8138 1 12 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.481 0.219 18989 8139 1 12 . 1 1 18 18 ASN N N 18 117.200 117.200 117.334 -0.134 18989 8140 1 12 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.469 0.221 18989 8141 1 12 . 1 1 18 18 ASN C C 18 178.700 178.700 177.335 1.365 18989 8142 1 12 . 1 1 18 18 ASN CA C 18 55.800 55.800 55.976 -0.176 18989 8143 1 12 . 1 1 18 18 ASN CB C 18 37.100 37.100 36.750 0.350 18989 8144 1 12 . 1 1 19 19 GLN N N 19 120.300 120.300 120.408 -0.108 18989 8145 1 12 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.218 -0.098 18989 8146 1 12 . 1 1 19 19 GLN C C 19 178.500 178.500 178.217 0.283 18989 8147 1 12 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.302 -0.002 18989 8148 1 12 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.457 -0.158 18989 8149 1 12 . 1 1 20 20 VAL N N 20 120.300 120.300 120.078 0.222 18989 8150 1 12 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.693 -0.243 18989 8151 1 12 . 1 1 20 20 VAL C C 20 177.500 177.500 178.017 -0.517 18989 8152 1 12 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.580 -0.380 18989 8153 1 12 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.308 -0.408 18989 8154 1 12 . 1 1 21 21 TYR N N 21 118.800 118.800 121.101 -2.301 18989 8155 1 12 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.132 -0.552 18989 8156 1 12 . 1 1 21 21 TYR C C 21 177.800 177.800 176.934 0.866 18989 8157 1 12 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.395 1.505 18989 8158 1 12 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.151 0.249 18989 8159 1 12 . 1 1 22 22 ALA N N 22 120.400 120.400 120.997 -0.597 18989 8160 1 12 . 1 1 22 22 ALA HA H 22 3.760 3.760 4.016 -0.256 18989 8161 1 12 . 1 1 22 22 ALA C C 22 178.000 178.000 178.183 -0.183 18989 8162 1 12 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.437 0.263 18989 8163 1 12 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.048 0.452 18989 8164 1 12 . 1 1 23 23 LEU N N 23 116.400 116.400 118.203 -1.803 18989 8165 1 12 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.176 0.054 18989 8166 1 12 . 1 1 23 23 LEU C C 23 177.200 177.200 178.141 -0.941 18989 8167 1 12 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.356 1.644 18989 8168 1 12 . 1 1 23 23 LEU CB C 23 42.400 42.400 42.538 -0.138 18989 8169 1 12 . 1 1 24 24 VAL N N 24 128.600 128.600 115.782 12.818 18989 8170 1 12 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.800 -0.440 18989 8171 1 12 . 1 1 24 24 VAL C C 24 175.200 175.200 176.896 -1.696 18989 8172 1 12 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.289 0.011 18989 8173 1 12 . 1 1 24 24 VAL CB C 24 30.800 30.800 32.035 -1.235 18989 8174 1 12 . 1 1 25 25 SER N N 25 108.500 108.500 115.055 -6.555 18989 8175 1 12 . 1 1 25 25 SER HA H 25 2.520 2.520 4.382 -1.862 18989 8176 1 12 . 1 1 25 25 SER CA C 25 58.200 58.200 57.344 0.855 18989 8177 1 12 . 1 1 25 25 SER CB C 25 63.600 63.600 63.956 -0.356 18989 8178 1 12 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.483 0.427 18989 8179 1 12 . 1 1 26 26 ASP C C 26 175.500 175.500 175.737 -0.237 18989 8180 1 12 . 1 1 26 26 ASP CA C 26 51.200 51.200 55.109 -3.909 18989 8181 1 12 . 1 1 26 26 ASP CB C 26 38.100 38.100 41.332 -3.232 18989 8182 1 12 . 1 1 27 27 ILE N N 27 123.500 123.500 116.663 6.837 18989 8183 1 12 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.087 -0.697 18989 8184 1 12 . 1 1 27 27 ILE C C 27 178.900 178.900 176.297 2.603 18989 8185 1 12 . 1 1 27 27 ILE CA C 27 61.700 61.700 60.816 0.884 18989 8186 1 12 . 1 1 27 27 ILE CB C 27 36.600 36.600 37.425 -0.825 18989 8187 1 12 . 1 1 28 28 THR N N 28 112.500 112.500 111.629 0.871 18989 8188 1 12 . 1 1 28 28 THR HA H 28 4.350 4.350 4.199 0.151 18989 8189 1 12 . 1 1 28 28 THR C C 28 176.500 176.500 175.908 0.592 18989 8190 1 12 . 1 1 28 28 THR CA C 28 64.000 64.000 63.092 0.908 18989 8191 1 12 . 1 1 28 28 THR CB C 28 68.600 68.600 70.266 -1.665 18989 8192 1 12 . 1 1 29 29 ARG N N 29 121.100 121.100 119.676 1.424 18989 8193 1 12 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.001 0.279 18989 8194 1 12 . 1 1 29 29 ARG CA C 29 56.200 56.200 58.390 -2.190 18989 8195 1 12 . 1 1 29 29 ARG CB C 29 30.600 30.600 28.876 1.724 18989 8196 1 12 . 1 1 30 30 THR HA H 30 5.870 5.870 4.581 1.289 18989 8197 1 12 . 1 1 30 30 THR C C 30 174.000 174.000 174.456 -0.456 18989 8198 1 12 . 1 1 30 30 THR CA C 30 66.000 66.000 61.547 4.453 18989 8199 1 12 . 1 1 30 30 THR CB C 30 69.400 69.400 70.844 -1.444 18989 8200 1 12 . 1 1 31 31 GLY N N 31 106.200 106.200 112.249 -6.049 18989 8201 1 12 . 1 1 31 31 GLY C C 31 175.200 175.200 173.717 1.483 18989 8202 1 12 . 1 1 31 31 GLY CA C 31 46.200 46.200 44.492 1.708 18989 8203 1 12 . 1 1 32 32 GLU N N 32 118.400 118.400 117.637 0.763 18989 8204 1 12 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.015 -0.045 18989 8205 1 12 . 1 1 32 32 GLU C C 32 177.500 177.500 177.042 0.458 18989 8206 1 12 . 1 1 32 32 GLU CA C 32 58.800 58.800 56.757 2.043 18989 8207 1 12 . 1 1 32 32 GLU CB C 32 29.800 29.800 28.467 1.333 18989 8208 1 12 . 1 1 33 33 TRP N N 33 113.200 113.200 121.813 -8.613 18989 8209 1 12 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.261 0.679 18989 8210 1 12 . 1 1 33 33 TRP C C 33 175.300 175.300 175.665 -0.365 18989 8211 1 12 . 1 1 33 33 TRP CA C 33 56.400 56.400 59.639 -3.239 18989 8212 1 12 . 1 1 33 33 TRP CB C 33 30.600 30.600 28.968 1.632 18989 8213 1 12 . 1 1 34 34 SER N N 34 118.600 118.600 112.691 5.909 18989 8214 1 12 . 1 1 34 34 SER HA H 34 4.930 4.930 4.748 0.182 18989 8215 1 12 . 1 1 34 34 SER CA C 34 54.700 54.700 57.015 -2.315 18989 8216 1 12 . 1 1 34 34 SER CB C 34 63.000 63.000 63.906 -0.906 18989 8217 1 12 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.627 -0.167 18989 8218 1 12 . 1 1 35 35 PRO C C 35 177.100 177.100 176.957 0.143 18989 8219 1 12 . 1 1 35 35 PRO CA C 35 64.500 64.500 62.893 1.607 18989 8220 1 12 . 1 1 35 35 PRO CB C 35 32.300 32.300 30.083 2.217 18989 8221 1 12 . 1 1 36 36 VAL N N 36 113.900 113.900 114.964 -1.064 18989 8222 1 12 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.130 -0.030 18989 8223 1 12 . 1 1 36 36 VAL C C 36 174.200 174.200 176.291 -2.091 18989 8224 1 12 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.144 0.756 18989 8225 1 12 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.462 1.038 18989 8226 1 12 . 1 1 37 37 CYS N N 37 121.000 121.000 120.586 0.414 18989 8227 1 12 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.469 -0.009 18989 8228 1 12 . 1 1 37 37 CYS C C 37 173.600 173.600 175.740 -2.140 18989 8229 1 12 . 1 1 37 37 CYS CA C 37 58.500 58.500 59.824 -1.324 18989 8230 1 12 . 1 1 37 37 CYS CB C 37 27.000 27.000 28.184 -1.184 18989 8231 1 12 . 1 1 38 38 GLU N N 38 129.300 129.300 129.224 0.076 18989 8232 1 12 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.042 0.098 18989 8233 1 12 . 1 1 38 38 GLU C C 38 176.500 176.500 176.644 -0.144 18989 8234 1 12 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.703 -0.803 18989 8235 1 12 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.189 1.611 18989 8236 1 12 . 1 1 39 39 LYS N N 39 117.100 117.100 117.151 -0.051 18989 8237 1 12 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.311 0.159 18989 8238 1 12 . 1 1 39 39 LYS C C 39 173.600 173.600 173.611 -0.011 18989 8239 1 12 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.952 -0.152 18989 8240 1 12 . 1 1 39 39 LYS CB C 39 36.500 36.500 35.124 1.376 18989 8241 1 12 . 1 1 40 40 CYS N N 40 125.100 125.100 120.715 4.385 18989 8242 1 12 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.284 0.126 18989 8243 1 12 . 1 1 40 40 CYS C C 40 173.000 173.000 173.141 -0.141 18989 8244 1 12 . 1 1 40 40 CYS CA C 40 57.100 57.100 55.721 1.379 18989 8245 1 12 . 1 1 40 40 CYS CB C 40 30.100 30.100 29.448 0.652 18989 8246 1 12 . 1 1 41 41 TRP N N 41 124.300 124.300 126.813 -2.513 18989 8247 1 12 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.702 0.129 18989 8248 1 12 . 1 1 41 41 TRP C C 41 174.100 174.100 175.257 -1.157 18989 8249 1 12 . 1 1 41 41 TRP CA C 41 56.300 56.300 55.871 0.429 18989 8250 1 12 . 1 1 41 41 TRP CB C 41 32.400 32.400 30.756 1.644 18989 8251 1 12 . 1 1 42 42 TRP N N 42 123.700 123.700 125.385 -1.685 18989 8252 1 12 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.837 -0.007 18989 8253 1 12 . 1 1 42 42 TRP C C 42 178.200 178.200 177.022 1.178 18989 8254 1 12 . 1 1 42 42 TRP CA C 42 57.000 57.000 57.403 -0.403 18989 8255 1 12 . 1 1 42 42 TRP CB C 42 31.600 31.600 30.693 0.907 18989 8256 1 12 . 1 1 43 43 ASP N N 43 124.400 124.400 118.820 5.580 18989 8257 1 12 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.140 0.540 18989 8258 1 12 . 1 1 43 43 ASP C C 43 176.300 176.300 177.966 -1.666 18989 8259 1 12 . 1 1 43 43 ASP CA C 43 56.300 56.300 57.107 -0.807 18989 8260 1 12 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.439 -0.139 18989 8261 1 12 . 1 1 44 44 GLU N N 44 119.400 119.400 119.804 -0.404 18989 8262 1 12 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.159 0.111 18989 8263 1 12 . 1 1 44 44 GLU C C 44 176.500 176.500 177.334 -0.834 18989 8264 1 12 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.535 -0.935 18989 8265 1 12 . 1 1 44 44 GLU CB C 44 30.200 30.200 29.096 1.104 18989 8266 1 12 . 1 1 45 45 ASP N N 45 118.300 118.300 118.704 -0.404 18989 8267 1 12 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.555 -0.075 18989 8268 1 12 . 1 1 45 45 ASP C C 45 175.900 175.900 176.954 -1.054 18989 8269 1 12 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.146 -0.146 18989 8270 1 12 . 1 1 45 45 ASP CB C 45 40.200 40.200 41.197 -0.997 18989 8271 1 12 . 1 1 46 46 GLU N N 46 118.200 118.200 115.739 2.461 18989 8272 1 12 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.533 -0.073 18989 8273 1 12 . 1 1 46 46 GLU C C 46 175.200 175.200 175.821 -0.621 18989 8274 1 12 . 1 1 46 46 GLU CA C 46 56.600 56.600 55.718 0.882 18989 8275 1 12 . 1 1 46 46 GLU CB C 46 30.800 30.800 31.664 -0.864 18989 8276 1 12 . 1 1 47 47 GLY N N 47 106.400 106.400 109.813 -3.413 18989 8277 1 12 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.432 -0.832 18989 8278 1 12 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.611 -0.021 18989 8279 1 12 . 1 1 48 48 PRO C C 48 173.400 173.400 176.066 -2.666 18989 8280 1 12 . 1 1 48 48 PRO CA C 48 63.100 63.100 63.111 -0.011 18989 8281 1 12 . 1 1 48 48 PRO CB C 48 29.100 29.100 30.770 -1.670 18989 8282 1 12 . 1 1 49 49 VAL N N 49 121.900 121.900 117.121 4.779 18989 8283 1 12 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.704 -0.094 18989 8284 1 12 . 1 1 49 49 VAL C C 49 175.100 175.100 175.111 -0.011 18989 8285 1 12 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.688 0.612 18989 8286 1 12 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.859 0.641 18989 8287 1 12 . 1 1 50 50 VAL N N 50 121.700 121.700 122.738 -1.038 18989 8288 1 12 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.986 -0.686 18989 8289 1 12 . 1 1 50 50 VAL C C 50 177.400 177.400 176.683 0.717 18989 8290 1 12 . 1 1 50 50 VAL CA C 50 66.200 66.200 64.130 2.070 18989 8291 1 12 . 1 1 50 50 VAL CB C 50 31.300 31.300 30.124 1.176 18989 8292 1 12 . 1 1 51 51 GLY N N 51 115.800 115.800 115.823 -0.023 18989 8293 1 12 . 1 1 51 51 GLY C C 51 174.200 174.200 173.609 0.591 18989 8294 1 12 . 1 1 51 51 GLY CA C 51 44.600 44.600 45.118 -0.518 18989 8295 1 12 . 1 1 52 52 ALA N N 52 123.000 123.000 125.739 -2.739 18989 8296 1 12 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.596 -0.046 18989 8297 1 12 . 1 1 52 52 ALA C C 52 177.300 177.300 175.786 1.514 18989 8298 1 12 . 1 1 52 52 ALA CA C 52 52.800 52.800 52.419 0.381 18989 8299 1 12 . 1 1 52 52 ALA CB C 52 23.100 23.100 20.089 3.011 18989 8300 1 12 . 1 1 53 53 HIS N N 53 115.900 115.900 118.581 -2.681 18989 8301 1 12 . 1 1 53 53 HIS HA H 53 6.020 6.020 4.895 1.125 18989 8302 1 12 . 1 1 53 53 HIS C C 53 174.200 174.200 173.046 1.154 18989 8303 1 12 . 1 1 53 53 HIS CA C 53 55.200 55.200 53.964 1.236 18989 8304 1 12 . 1 1 53 53 HIS CB C 53 32.100 32.100 31.159 0.941 18989 8305 1 12 . 1 1 54 54 PHE N N 54 115.800 115.800 123.122 -7.322 18989 8306 1 12 . 1 1 54 54 PHE HA H 54 5.150 5.150 4.797 0.353 18989 8307 1 12 . 1 1 54 54 PHE C C 54 172.600 172.600 175.982 -3.382 18989 8308 1 12 . 1 1 54 54 PHE CA C 54 55.500 55.500 57.394 -1.894 18989 8309 1 12 . 1 1 54 54 PHE CB C 54 41.700 41.700 39.900 1.800 18989 8310 1 12 . 1 1 55 55 THR N N 55 118.300 118.300 118.793 -0.493 18989 8311 1 12 . 1 1 55 55 THR HA H 55 4.770 4.770 5.116 -0.346 18989 8312 1 12 . 1 1 55 55 THR C C 55 171.800 171.800 173.480 -1.680 18989 8313 1 12 . 1 1 55 55 THR CA C 55 61.000 61.000 61.939 -0.939 18989 8314 1 12 . 1 1 55 55 THR CB C 55 70.200 70.200 70.903 -0.703 18989 8315 1 12 . 1 1 56 56 GLY N N 56 110.500 110.500 112.297 -1.797 18989 8316 1 12 . 1 1 56 56 GLY C C 56 171.100 171.100 171.764 -0.664 18989 8317 1 12 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.483 -0.183 18989 8318 1 12 . 1 1 57 57 ARG N N 57 123.800 123.800 125.692 -1.892 18989 8319 1 12 . 1 1 57 57 ARG HA H 57 4.660 4.660 5.095 -0.435 18989 8320 1 12 . 1 1 57 57 ARG C C 57 172.900 172.900 174.692 -1.792 18989 8321 1 12 . 1 1 57 57 ARG CA C 57 55.300 55.300 54.077 1.223 18989 8322 1 12 . 1 1 57 57 ARG CB C 57 32.500 32.500 33.521 -1.021 18989 8323 1 12 . 1 1 58 58 ASN N N 58 127.200 127.200 124.202 2.998 18989 8324 1 12 . 1 1 58 58 ASN HA H 58 5.060 5.060 4.720 0.340 18989 8325 1 12 . 1 1 58 58 ASN C C 58 173.100 173.100 173.272 -0.172 18989 8326 1 12 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.613 -1.713 18989 8327 1 12 . 1 1 58 58 ASN CB C 58 38.800 38.800 40.467 -1.667 18989 8328 1 12 . 1 1 59 59 VAL N N 59 121.400 121.400 126.070 -4.670 18989 8329 1 12 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.553 0.127 18989 8330 1 12 . 1 1 59 59 VAL C C 59 175.100 175.100 174.563 0.537 18989 8331 1 12 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.204 2.196 18989 8332 1 12 . 1 1 59 59 VAL CB C 59 35.800 35.800 33.897 1.903 18989 8333 1 12 . 1 1 60 60 THR N N 60 118.000 118.000 124.586 -6.586 18989 8334 1 12 . 1 1 60 60 THR HA H 60 5.000 5.000 4.760 0.240 18989 8335 1 12 . 1 1 60 60 THR CA C 60 58.900 58.900 58.943 -0.043 18989 8336 1 12 . 1 1 60 60 THR CB C 60 70.200 70.200 70.574 -0.374 18989 8337 1 12 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.285 -0.005 18989 8338 1 12 . 1 1 61 61 PRO C C 61 177.700 177.700 176.801 0.899 18989 8339 1 12 . 1 1 61 61 PRO CA C 61 65.500 65.500 65.062 0.438 18989 8340 1 12 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.881 -0.082 18989 8341 1 12 . 1 1 62 62 GLU N N 62 111.700 111.700 114.952 -3.252 18989 8342 1 12 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.249 0.031 18989 8343 1 12 . 1 1 62 62 GLU C C 62 176.500 176.500 176.339 0.161 18989 8344 1 12 . 1 1 62 62 GLU CA C 62 57.600 57.600 56.228 1.372 18989 8345 1 12 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.101 0.899 18989 8346 1 12 . 1 1 63 63 ARG N N 63 118.000 118.000 120.174 -2.174 18989 8347 1 12 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.708 -0.018 18989 8348 1 12 . 1 1 63 63 ARG C C 63 174.000 174.000 174.333 -0.333 18989 8349 1 12 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.129 1.571 18989 8350 1 12 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.047 0.653 18989 8351 1 12 . 1 1 64 64 THR N N 64 120.700 120.700 113.398 7.302 18989 8352 1 12 . 1 1 64 64 THR HA H 64 5.780 5.780 5.436 0.344 18989 8353 1 12 . 1 1 64 64 THR C C 64 174.000 174.000 173.486 0.514 18989 8354 1 12 . 1 1 64 64 THR CA C 64 61.600 61.600 60.728 0.872 18989 8355 1 12 . 1 1 64 64 THR CB C 64 71.700 71.700 71.363 0.337 18989 8356 1 12 . 1 1 65 65 TRP N N 65 128.000 128.000 127.487 0.513 18989 8357 1 12 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.814 0.356 18989 8358 1 12 . 1 1 65 65 TRP C C 65 172.800 172.800 173.673 -0.873 18989 8359 1 12 . 1 1 65 65 TRP CA C 65 57.300 57.300 57.635 -0.335 18989 8360 1 12 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.344 -0.444 18989 8361 1 12 . 1 1 66 66 GLU N N 66 120.800 120.800 122.146 -1.346 18989 8362 1 12 . 1 1 66 66 GLU HA H 66 5.590 5.590 5.254 0.336 18989 8363 1 12 . 1 1 66 66 GLU C C 66 177.300 177.300 174.907 2.393 18989 8364 1 12 . 1 1 66 66 GLU CA C 66 54.200 54.200 54.320 -0.120 18989 8365 1 12 . 1 1 66 66 GLU CB C 66 32.700 32.700 33.118 -0.418 18989 8366 1 12 . 1 1 67 67 THR N N 67 113.700 113.700 111.948 1.752 18989 8367 1 12 . 1 1 67 67 THR HA H 67 4.750 4.750 4.684 0.066 18989 8368 1 12 . 1 1 67 67 THR C C 67 173.300 173.300 174.300 -1.000 18989 8369 1 12 . 1 1 67 67 THR CA C 67 59.500 59.500 61.284 -1.784 18989 8370 1 12 . 1 1 67 67 THR CB C 67 71.500 71.500 71.597 -0.098 18989 8371 1 12 . 1 1 68 68 ARG N N 68 125.300 125.300 126.417 -1.117 18989 8372 1 12 . 1 1 68 68 ARG HA H 68 4.860 4.860 5.120 -0.260 18989 8373 1 12 . 1 1 68 68 ARG C C 68 175.700 175.700 175.647 0.053 18989 8374 1 12 . 1 1 68 68 ARG CA C 68 55.000 55.000 54.801 0.199 18989 8375 1 12 . 1 1 68 68 ARG CB C 68 31.700 31.700 29.843 1.857 18989 8376 1 12 . 1 1 69 69 SER N N 69 122.000 122.000 122.407 -0.407 18989 8377 1 12 . 1 1 69 69 SER HA H 69 5.570 5.570 5.133 0.437 18989 8378 1 12 . 1 1 69 69 SER C C 69 172.200 172.200 173.244 -1.044 18989 8379 1 12 . 1 1 69 69 SER CA C 69 58.000 58.000 57.689 0.311 18989 8380 1 12 . 1 1 69 69 SER CB C 69 66.700 66.700 63.569 3.131 18989 8381 1 12 . 1 1 70 70 GLU N N 70 121.900 121.900 127.337 -5.437 18989 8382 1 12 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.686 0.514 18989 8383 1 12 . 1 1 70 70 GLU C C 70 176.000 176.000 176.004 -0.004 18989 8384 1 12 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.763 -1.163 18989 8385 1 12 . 1 1 70 70 GLU CB C 70 34.700 34.700 31.848 2.852 18989 8386 1 12 . 1 1 71 71 VAL N N 71 126.600 126.600 128.164 -1.564 18989 8387 1 12 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.173 0.077 18989 8388 1 12 . 1 1 71 71 VAL C C 71 177.600 177.600 176.728 0.872 18989 8389 1 12 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.911 0.889 18989 8390 1 12 . 1 1 71 71 VAL CB C 71 32.200 32.200 29.846 2.354 18989 8391 1 12 . 1 1 72 72 ILE N N 72 123.200 123.200 123.566 -0.366 18989 8392 1 12 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.263 0.467 18989 8393 1 12 . 1 1 72 72 ILE C C 72 175.200 175.200 175.359 -0.159 18989 8394 1 12 . 1 1 72 72 ILE CA C 72 62.000 62.000 61.950 0.050 18989 8395 1 12 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.702 0.898 18989 8396 1 12 . 1 1 73 73 VAL N N 73 121.700 121.700 121.470 0.230 18989 8397 1 12 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.362 -0.162 18989 8398 1 12 . 1 1 73 73 VAL C C 73 172.000 172.000 173.324 -1.324 18989 8399 1 12 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.039 1.061 18989 8400 1 12 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.121 -0.421 18989 8401 1 12 . 1 1 74 74 ALA N N 74 131.100 131.100 131.098 0.002 18989 8402 1 12 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.004 0.316 18989 8403 1 12 . 1 1 74 74 ALA C C 74 174.900 174.900 175.804 -0.904 18989 8404 1 12 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.647 1.053 18989 8405 1 12 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.654 -2.354 18989 8406 1 12 . 1 1 75 75 GLU N N 75 126.100 126.100 124.321 1.779 18989 8407 1 12 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.809 0.161 18989 8408 1 12 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.461 -0.361 18989 8409 1 12 . 1 1 75 75 GLU CB C 75 31.300 31.300 31.222 0.078 18989 8410 1 12 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.164 -1.544 18989 8411 1 12 . 1 1 76 76 PRO CA C 76 63.900 63.900 64.097 -0.196 18989 8412 1 12 . 1 1 76 76 PRO CB C 76 31.900 31.900 30.916 0.984 18989 8413 1 12 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.127 -0.367 18989 8414 1 12 . 1 1 77 77 ASN C C 77 172.700 172.700 174.253 -1.553 18989 8415 1 12 . 1 1 77 77 ASN CA C 77 55.100 55.100 54.513 0.587 18989 8416 1 12 . 1 1 77 77 ASN CB C 77 36.900 36.900 37.526 -0.626 18989 8417 1 12 . 1 1 78 78 ARG N N 78 115.300 115.300 114.608 0.692 18989 8418 1 12 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.917 -0.017 18989 8419 1 12 . 1 1 78 78 ARG C C 78 176.000 176.000 174.886 1.114 18989 8420 1 12 . 1 1 78 78 ARG CA C 78 58.300 58.300 56.582 1.718 18989 8421 1 12 . 1 1 78 78 ARG CB C 78 34.000 34.000 33.243 0.757 18989 8422 1 12 . 1 1 79 79 CYS N N 79 117.700 117.700 117.882 -0.182 18989 8423 1 12 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.178 0.492 18989 8424 1 12 . 1 1 79 79 CYS C C 79 172.200 172.200 172.876 -0.676 18989 8425 1 12 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.392 -0.192 18989 8426 1 12 . 1 1 79 79 CYS CB C 79 29.500 29.500 30.461 -0.961 18989 8427 1 12 . 1 1 80 80 PHE N N 80 129.500 129.500 126.772 2.728 18989 8428 1 12 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.521 -0.001 18989 8429 1 12 . 1 1 80 80 PHE C C 80 173.400 173.400 174.070 -0.670 18989 8430 1 12 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.143 1.757 18989 8431 1 12 . 1 1 80 80 PHE CB C 80 43.800 43.800 43.065 0.735 18989 8432 1 12 . 1 1 81 81 GLY N N 81 114.500 114.500 114.311 0.189 18989 8433 1 12 . 1 1 81 81 GLY C C 81 171.900 171.900 171.608 0.292 18989 8434 1 12 . 1 1 81 81 GLY CA C 81 46.600 46.600 45.266 1.334 18989 8435 1 12 . 1 1 82 82 TRP N N 82 121.700 121.700 117.445 4.255 18989 8436 1 12 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.696 0.094 18989 8437 1 12 . 1 1 82 82 TRP C C 82 171.500 171.500 173.792 -2.292 18989 8438 1 12 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.463 2.937 18989 8439 1 12 . 1 1 82 82 TRP CB C 82 33.900 33.900 31.880 2.020 18989 8440 1 12 . 1 1 83 83 SER N N 83 113.600 113.600 115.590 -1.990 18989 8441 1 12 . 1 1 83 83 SER HA H 83 5.680 5.680 5.255 0.425 18989 8442 1 12 . 1 1 83 83 SER C C 83 174.500 174.500 173.978 0.522 18989 8443 1 12 . 1 1 83 83 SER CA C 83 54.800 54.800 57.483 -2.683 18989 8444 1 12 . 1 1 83 83 SER CB C 83 66.700 66.700 65.027 1.673 18989 8445 1 12 . 1 1 84 84 VAL N N 84 125.400 125.400 126.904 -1.504 18989 8446 1 12 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.474 0.376 18989 8447 1 12 . 1 1 84 84 VAL C C 84 176.500 176.500 176.577 -0.077 18989 8448 1 12 . 1 1 84 84 VAL CA C 84 61.400 61.400 62.840 -1.440 18989 8449 1 12 . 1 1 84 84 VAL CB C 84 34.600 34.600 32.303 2.297 18989 8450 1 12 . 1 1 85 85 THR N N 85 120.300 120.300 125.216 -4.916 18989 8451 1 12 . 1 1 85 85 THR HA H 85 3.720 3.720 3.850 -0.130 18989 8452 1 12 . 1 1 85 85 THR C C 85 173.500 173.500 174.008 -0.508 18989 8453 1 12 . 1 1 85 85 THR CA C 85 62.900 62.900 64.693 -1.793 18989 8454 1 12 . 1 1 85 85 THR CB C 85 66.600 66.600 67.370 -0.770 18989 8455 1 12 . 1 1 86 86 ASP N N 86 119.000 119.000 119.824 -0.824 18989 8456 1 12 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.280 -0.060 18989 8457 1 12 . 1 1 86 86 ASP C C 86 177.100 177.100 176.131 0.969 18989 8458 1 12 . 1 1 86 86 ASP CA C 86 54.700 54.700 57.118 -2.418 18989 8459 1 12 . 1 1 86 86 ASP CB C 86 39.700 39.700 39.520 0.180 18989 8460 1 12 . 1 1 87 87 GLY N N 87 103.400 103.400 107.357 -3.957 18989 8461 1 12 . 1 1 87 87 GLY C C 87 175.000 175.000 173.283 1.717 18989 8462 1 12 . 1 1 87 87 GLY CA C 87 45.600 45.600 45.119 0.481 18989 8463 1 12 . 1 1 88 88 ASN N N 88 122.300 122.300 119.811 2.489 18989 8464 1 12 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.528 -0.418 18989 8465 1 12 . 1 1 88 88 ASN C C 88 174.500 174.500 174.898 -0.398 18989 8466 1 12 . 1 1 88 88 ASN CA C 88 55.600 55.600 55.021 0.579 18989 8467 1 12 . 1 1 88 88 ASN CB C 88 38.200 38.200 39.673 -1.473 18989 8468 1 12 . 1 1 89 89 VAL N N 89 115.700 115.700 118.051 -2.351 18989 8469 1 12 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.782 0.048 18989 8470 1 12 . 1 1 89 89 VAL C C 89 174.700 174.700 175.277 -0.577 18989 8471 1 12 . 1 1 89 89 VAL CA C 89 59.600 59.600 60.764 -1.164 18989 8472 1 12 . 1 1 89 89 VAL CB C 89 37.000 37.000 33.077 3.923 18989 8473 1 12 . 1 1 90 90 LYS N N 90 123.600 123.600 123.801 -0.201 18989 8474 1 12 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.929 0.081 18989 8475 1 12 . 1 1 90 90 LYS C C 90 174.100 174.100 174.810 -0.710 18989 8476 1 12 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.267 -0.367 18989 8477 1 12 . 1 1 90 90 LYS CB C 90 36.300 36.300 35.938 0.362 18989 8478 1 12 . 1 1 91 91 TRP N N 91 124.600 124.600 124.775 -0.175 18989 8479 1 12 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.921 0.179 18989 8480 1 12 . 1 1 91 91 TRP C C 91 174.600 174.600 174.528 0.072 18989 8481 1 12 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.929 -1.029 18989 8482 1 12 . 1 1 91 91 TRP CB C 91 30.800 30.800 31.560 -0.760 18989 8483 1 12 . 1 1 92 92 ILE N N 92 118.000 118.000 121.794 -3.794 18989 8484 1 12 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.347 0.213 18989 8485 1 12 . 1 1 92 92 ILE C C 92 176.300 176.300 173.875 2.425 18989 8486 1 12 . 1 1 92 92 ILE CA C 92 60.800 60.800 59.040 1.760 18989 8487 1 12 . 1 1 92 92 ILE CB C 92 42.100 42.100 39.139 2.961 18989 8488 1 12 . 1 1 93 93 TYR N N 93 127.700 127.700 128.168 -0.468 18989 8489 1 12 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.054 0.796 18989 8490 1 12 . 1 1 93 93 TYR C C 93 175.300 175.300 175.837 -0.537 18989 8491 1 12 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.629 0.471 18989 8492 1 12 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.701 2.099 18989 8493 1 12 . 1 1 94 94 SER N N 94 117.900 117.900 119.050 -1.150 18989 8494 1 12 . 1 1 94 94 SER HA H 94 5.510 5.510 5.093 0.417 18989 8495 1 12 . 1 1 94 94 SER C C 94 172.700 172.700 174.010 -1.310 18989 8496 1 12 . 1 1 94 94 SER CA C 94 57.300 57.300 58.608 -1.308 18989 8497 1 12 . 1 1 94 94 SER CB C 94 65.600 65.600 64.422 1.177 18989 8498 1 12 . 1 1 95 95 MET N N 95 119.600 119.600 119.442 0.158 18989 8499 1 12 . 1 1 95 95 MET HA H 95 5.840 5.840 5.259 0.581 18989 8500 1 12 . 1 1 95 95 MET C C 95 173.800 173.800 173.976 -0.176 18989 8501 1 12 . 1 1 95 95 MET CA C 95 54.200 54.200 54.733 -0.533 18989 8502 1 12 . 1 1 95 95 MET CB C 95 37.400 37.400 36.364 1.036 18989 8503 1 12 . 1 1 96 96 GLU N N 96 119.100 119.100 123.499 -4.399 18989 8504 1 12 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.902 0.068 18989 8505 1 12 . 1 1 96 96 GLU CA C 96 52.900 52.900 52.893 0.007 18989 8506 1 12 . 1 1 96 96 GLU CB C 96 33.000 33.000 30.935 2.065 18989 8507 1 12 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.456 0.364 18989 8508 1 12 . 1 1 97 97 PRO C C 97 176.300 176.300 175.902 0.398 18989 8509 1 12 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.562 0.538 18989 8510 1 12 . 1 1 97 97 PRO CB C 97 32.700 32.700 30.761 1.939 18989 8511 1 12 . 1 1 98 98 LEU N N 98 122.900 122.900 124.125 -1.225 18989 8512 1 12 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.399 0.131 18989 8513 1 12 . 1 1 98 98 LEU C C 98 176.200 176.200 177.976 -1.776 18989 8514 1 12 . 1 1 98 98 LEU CA C 98 54.200 54.200 54.172 0.028 18989 8515 1 12 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.535 1.565 18989 8516 1 12 . 1 1 99 99 GLU N N 99 124.700 124.700 120.233 4.467 18989 8517 1 12 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.176 -0.316 18989 8518 1 12 . 1 1 99 99 GLU C C 99 176.900 176.900 177.531 -0.631 18989 8519 1 12 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.431 1.069 18989 8520 1 12 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.657 -1.657 18989 8521 1 12 . 1 1 100 100 GLU N N 100 118.200 118.200 118.631 -0.431 18989 8522 1 12 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.323 0.107 18989 8523 1 12 . 1 1 100 100 GLU C C 100 176.200 176.200 177.007 -0.807 18989 8524 1 12 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.777 -0.377 18989 8525 1 12 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.408 -0.508 18989 8526 1 12 . 1 1 101 101 GLY N N 101 110.100 110.100 106.248 3.852 18989 8527 1 12 . 1 1 101 101 GLY C C 101 174.100 174.100 172.821 1.279 18989 8528 1 12 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.184 -0.184 18989 8529 1 12 . 1 1 102 102 THR N N 102 120.200 120.200 116.801 3.399 18989 8530 1 12 . 1 1 102 102 THR HA H 102 4.850 4.850 5.139 -0.289 18989 8531 1 12 . 1 1 102 102 THR C C 102 172.700 172.700 173.635 -0.935 18989 8532 1 12 . 1 1 102 102 THR CA C 102 63.700 63.700 62.242 1.458 18989 8533 1 12 . 1 1 102 102 THR CB C 102 73.600 73.600 72.219 1.381 18989 8534 1 12 . 1 1 103 103 VAL N N 103 125.600 125.600 127.710 -2.110 18989 8535 1 12 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.555 0.355 18989 8536 1 12 . 1 1 103 103 VAL C C 103 175.000 175.000 175.072 -0.072 18989 8537 1 12 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.838 -0.538 18989 8538 1 12 . 1 1 103 103 VAL CB C 103 32.700 32.700 30.938 1.762 18989 8539 1 12 . 1 1 104 104 LEU N N 104 133.900 133.900 131.666 2.234 18989 8540 1 12 . 1 1 104 104 LEU HA H 104 5.140 5.140 5.001 0.139 18989 8541 1 12 . 1 1 104 104 LEU C C 104 173.800 173.800 175.682 -1.882 18989 8542 1 12 . 1 1 104 104 LEU CA C 104 53.300 53.300 53.913 -0.613 18989 8543 1 12 . 1 1 104 104 LEU CB C 104 46.100 46.100 42.797 3.303 18989 8544 1 12 . 1 1 105 105 THR N N 105 124.400 124.400 124.759 -0.359 18989 8545 1 12 . 1 1 105 105 THR HA H 105 5.210 5.210 4.985 0.225 18989 8546 1 12 . 1 1 105 105 THR C C 105 173.500 173.500 173.230 0.270 18989 8547 1 12 . 1 1 105 105 THR CA C 105 61.500 61.500 61.537 -0.037 18989 8548 1 12 . 1 1 105 105 THR CB C 105 71.100 71.100 70.152 0.948 18989 8549 1 12 . 1 1 106 106 GLU N N 106 126.900 126.900 127.338 -0.438 18989 8550 1 12 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.663 0.697 18989 8551 1 12 . 1 1 106 106 GLU C C 106 173.400 173.400 175.379 -1.979 18989 8552 1 12 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.406 -0.005 18989 8553 1 12 . 1 1 106 106 GLU CB C 106 32.000 32.000 32.139 -0.139 18989 8554 1 12 . 1 1 107 107 SER N N 107 120.800 120.800 121.677 -0.877 18989 8555 1 12 . 1 1 107 107 SER HA H 107 5.470 5.470 4.851 0.619 18989 8556 1 12 . 1 1 107 107 SER C C 107 171.600 171.600 172.844 -1.244 18989 8557 1 12 . 1 1 107 107 SER CA C 107 56.000 56.000 57.916 -1.916 18989 8558 1 12 . 1 1 107 107 SER CB C 107 66.700 66.700 64.353 2.348 18989 8559 1 12 . 1 1 108 108 TRP N N 108 124.600 124.600 128.812 -4.212 18989 8560 1 12 . 1 1 108 108 TRP HA H 108 4.680 4.680 5.233 -0.553 18989 8561 1 12 . 1 1 108 108 TRP C C 108 175.000 175.000 174.603 0.397 18989 8562 1 12 . 1 1 108 108 TRP CA C 108 55.900 55.900 55.616 0.284 18989 8563 1 12 . 1 1 108 108 TRP CB C 108 33.600 33.600 32.569 1.031 18989 8564 1 12 . 1 1 109 109 GLU N N 109 127.200 127.200 124.577 2.623 18989 8565 1 12 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.535 -0.035 18989 8566 1 12 . 1 1 109 109 GLU C C 109 172.300 172.300 173.743 -1.443 18989 8567 1 12 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.398 -0.298 18989 8568 1 12 . 1 1 109 109 GLU CB C 109 32.900 32.900 34.347 -1.447 18989 8569 1 12 . 1 1 110 110 PHE N N 110 129.400 129.400 124.770 4.630 18989 8570 1 12 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.986 -0.296 18989 8571 1 12 . 1 1 110 110 PHE C C 110 177.100 177.100 174.184 2.916 18989 8572 1 12 . 1 1 110 110 PHE CA C 110 54.000 54.000 55.586 -1.586 18989 8573 1 12 . 1 1 110 110 PHE CB C 110 38.500 38.500 41.752 -3.252 18989 8574 1 12 . 1 1 111 111 THR N N 111 117.800 117.800 120.033 -2.233 18989 8575 1 12 . 1 1 111 111 THR HA H 111 4.510 4.510 4.502 0.008 18989 8576 1 12 . 1 1 111 111 THR CA C 111 61.800 61.800 60.011 1.789 18989 8577 1 12 . 1 1 111 111 THR CB C 111 66.100 66.100 68.743 -2.643 18989 8578 1 12 . 1 1 113 113 LYS HA H 113 3.990 3.990 3.967 0.023 18989 8579 1 12 . 1 1 113 113 LYS C C 113 179.200 179.200 178.531 0.669 18989 8580 1 12 . 1 1 114 114 GLY N N 114 110.100 110.100 105.975 4.125 18989 8581 1 12 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.999 0.101 18989 8582 1 12 . 1 1 115 115 GLN N N 115 121.100 121.100 120.219 0.881 18989 8583 1 12 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.583 -0.573 18989 8584 1 12 . 1 1 115 115 GLN C C 115 178.000 178.000 178.233 -0.233 18989 8585 1 12 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.570 1.330 18989 8586 1 12 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.422 0.978 18989 8587 1 12 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.192 -0.052 18989 8588 1 12 . 1 1 116 116 ARG C C 116 177.900 177.900 178.022 -0.122 18989 8589 1 12 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.313 0.187 18989 8590 1 12 . 1 1 116 116 ARG CB C 116 30.000 30.000 30.104 -0.103 18989 8591 1 12 . 1 1 117 117 PHE N N 117 120.800 120.800 120.419 0.381 18989 8592 1 12 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.166 0.304 18989 8593 1 12 . 1 1 117 117 PHE C C 117 178.100 178.100 177.185 0.915 18989 8594 1 12 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.362 -0.162 18989 8595 1 12 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.881 0.119 18989 8596 1 12 . 1 1 118 118 PHE N N 118 119.600 119.600 116.044 3.556 18989 8597 1 12 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.309 -0.079 18989 8598 1 12 . 1 1 118 118 PHE C C 118 178.500 178.500 178.033 0.467 18989 8599 1 12 . 1 1 118 118 PHE CA C 118 62.300 62.300 61.741 0.559 18989 8600 1 12 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.533 0.667 18989 8601 1 12 . 1 1 119 119 HIS N N 119 120.900 120.900 119.441 1.459 18989 8602 1 12 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.486 0.134 18989 8603 1 12 . 1 1 119 119 HIS C C 119 178.500 178.500 177.125 1.375 18989 8604 1 12 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.036 0.864 18989 8605 1 12 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.113 -0.413 18989 8606 1 12 . 1 1 120 120 ASP N N 120 120.400 120.400 119.409 0.991 18989 8607 1 12 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.451 -0.121 18989 8608 1 12 . 1 1 120 120 ASP C C 120 177.500 177.500 177.935 -0.435 18989 8609 1 12 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.569 0.631 18989 8610 1 12 . 1 1 120 120 ASP CB C 120 40.500 40.500 41.112 -0.612 18989 8611 1 12 . 1 1 121 121 LYS N N 121 118.100 118.100 118.949 -0.849 18989 8612 1 12 . 1 1 121 121 LYS HA H 121 3.810 3.810 4.087 -0.277 18989 8613 1 12 . 1 1 121 121 LYS C C 121 178.200 178.200 178.142 0.058 18989 8614 1 12 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.589 0.511 18989 8615 1 12 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.742 0.458 18989 8616 1 12 . 1 1 122 122 PHE N N 122 112.800 112.800 119.924 -7.124 18989 8617 1 12 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.713 -0.033 18989 8618 1 12 . 1 1 122 122 PHE C C 122 177.600 177.600 175.688 1.912 18989 8619 1 12 . 1 1 122 122 PHE CA C 122 58.100 58.100 56.554 1.546 18989 8620 1 12 . 1 1 122 122 PHE CB C 122 40.000 40.000 37.306 2.694 18989 8621 1 12 . 1 1 123 123 GLY N N 123 112.200 112.200 109.258 2.942 18989 8622 1 12 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.673 0.627 18989 8623 1 12 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.521 0.059 18989 8624 1 12 . 1 1 124 124 ASP C C 124 177.700 177.700 177.561 0.139 18989 8625 1 12 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.256 0.544 18989 8626 1 12 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.951 -0.851 18989 8627 1 12 . 1 1 125 125 LYS N N 125 118.400 118.400 118.297 0.103 18989 8628 1 12 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.304 0.366 18989 8629 1 12 . 1 1 125 125 LYS C C 125 177.100 177.100 177.285 -0.185 18989 8630 1 12 . 1 1 125 125 LYS CA C 125 56.000 56.000 57.134 -1.134 18989 8631 1 12 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.029 0.271 18989 8632 1 12 . 1 1 126 126 SER N N 126 116.600 116.600 116.518 0.082 18989 8633 1 12 . 1 1 126 126 SER HA H 126 3.830 3.830 4.358 -0.528 18989 8634 1 12 . 1 1 126 126 SER C C 126 175.700 175.700 175.900 -0.200 18989 8635 1 12 . 1 1 126 126 SER CA C 126 62.700 62.700 61.221 1.479 18989 8636 1 12 . 1 1 126 126 SER CB C 126 63.000 63.000 62.804 0.196 18989 8637 1 12 . 1 1 127 127 ILE N N 127 122.300 122.300 120.821 1.479 18989 8638 1 12 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.815 -0.005 18989 8639 1 12 . 1 1 127 127 ILE C C 127 178.500 178.500 177.674 0.826 18989 8640 1 12 . 1 1 127 127 ILE CA C 127 65.000 65.000 64.647 0.353 18989 8641 1 12 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.810 -1.010 18989 8642 1 12 . 1 1 128 128 GLU N N 128 120.500 120.500 118.984 1.516 18989 8643 1 12 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.948 0.152 18989 8644 1 12 . 1 1 128 128 GLU C C 128 179.400 179.400 178.861 0.539 18989 8645 1 12 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.201 0.099 18989 8646 1 12 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.171 0.529 18989 8647 1 12 . 1 1 129 129 GLU N N 129 118.800 118.800 120.657 -1.857 18989 8648 1 12 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.957 -0.047 18989 8649 1 12 . 1 1 129 129 GLU C C 129 179.900 179.900 178.844 1.056 18989 8650 1 12 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.928 0.072 18989 8651 1 12 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.149 0.051 18989 8652 1 12 . 1 1 130 130 ILE N N 130 122.700 122.700 117.177 5.523 18989 8653 1 12 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.760 -0.280 18989 8654 1 12 . 1 1 130 130 ILE C C 130 177.600 177.600 177.898 -0.298 18989 8655 1 12 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.646 1.754 18989 8656 1 12 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.560 0.740 18989 8657 1 12 . 1 1 131 131 GLU N N 131 120.100 120.100 120.628 -0.528 18989 8658 1 12 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.963 0.427 18989 8659 1 12 . 1 1 131 131 GLU C C 131 178.800 178.800 178.526 0.274 18989 8660 1 12 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.297 -0.697 18989 8661 1 12 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.444 -0.544 18989 8662 1 12 . 1 1 132 132 LYS N N 132 118.300 118.300 120.084 -1.784 18989 8663 1 12 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.942 0.018 18989 8664 1 12 . 1 1 132 132 LYS C C 132 180.400 180.400 179.359 1.041 18989 8665 1 12 . 1 1 132 132 LYS CA C 132 60.300 60.300 58.843 1.457 18989 8666 1 12 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.028 0.673 18989 8667 1 12 . 1 1 133 133 ARG N N 133 118.400 118.400 118.098 0.302 18989 8668 1 12 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.981 0.079 18989 8669 1 12 . 1 1 133 133 ARG C C 133 178.600 178.600 178.781 -0.181 18989 8670 1 12 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.401 -0.401 18989 8671 1 12 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.778 -0.378 18989 8672 1 12 . 1 1 134 134 ARG N N 134 122.500 122.500 119.720 2.780 18989 8673 1 12 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.186 -0.576 18989 8674 1 12 . 1 1 134 134 ARG C C 134 177.600 177.600 178.503 -0.903 18989 8675 1 12 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.106 0.294 18989 8676 1 12 . 1 1 134 134 ARG CB C 134 31.000 31.000 29.665 1.335 18989 8677 1 12 . 1 1 135 135 LEU N N 135 118.200 118.200 120.345 -2.145 18989 8678 1 12 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.978 -0.168 18989 8679 1 12 . 1 1 135 135 LEU C C 135 179.700 179.700 178.988 0.712 18989 8680 1 12 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.313 0.387 18989 8681 1 12 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.587 -0.187 18989 8682 1 12 . 1 1 136 136 ALA N N 136 120.400 120.400 119.924 0.476 18989 8683 1 12 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.774 0.256 18989 8684 1 12 . 1 1 136 136 ALA C C 136 180.500 180.500 178.338 2.162 18989 8685 1 12 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.374 0.326 18989 8686 1 12 . 1 1 136 136 ALA CB C 136 18.100 18.100 18.028 0.072 18989 8687 1 12 . 1 1 137 137 ALA N N 137 123.200 123.200 120.178 3.022 18989 8688 1 12 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.613 0.287 18989 8689 1 12 . 1 1 137 137 ALA C C 137 178.700 178.700 179.045 -0.345 18989 8690 1 12 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.093 1.208 18989 8691 1 12 . 1 1 137 137 ALA CB C 137 15.800 15.800 18.181 -2.381 18989 8692 1 12 . 1 1 138 138 ILE N N 138 115.400 115.400 117.575 -2.175 18989 8693 1 12 . 1 1 138 138 ILE HA H 138 2.830 2.830 2.036 0.794 18989 8694 1 12 . 1 1 138 138 ILE C C 138 177.800 177.800 177.216 0.584 18989 8695 1 12 . 1 1 138 138 ILE CA C 138 64.200 64.200 63.792 0.408 18989 8696 1 12 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.512 -0.112 18989 8697 1 12 . 1 1 139 139 THR N N 139 109.500 109.500 115.077 -5.577 18989 8698 1 12 . 1 1 139 139 THR HA H 139 4.150 4.150 4.239 -0.089 18989 8699 1 12 . 1 1 139 139 THR C C 139 177.300 177.300 176.478 0.822 18989 8700 1 12 . 1 1 139 139 THR CA C 139 64.000 64.000 66.377 -2.377 18989 8701 1 12 . 1 1 139 139 THR CB C 139 69.600 69.600 68.693 0.907 18989 8702 1 12 . 1 1 140 140 GLY N N 140 110.800 110.800 110.104 0.696 18989 8703 1 12 . 1 1 140 140 GLY C C 140 176.700 176.700 175.844 0.856 18989 8704 1 12 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.809 -0.010 18989 8705 1 12 . 1 1 141 141 ILE N N 141 122.700 122.700 122.468 0.232 18989 8706 1 12 . 1 1 141 141 ILE HA H 141 4.160 4.160 3.992 0.168 18989 8707 1 12 . 1 1 141 141 ILE CA C 141 68.300 68.300 66.706 1.594 18989 8708 1 12 . 1 1 141 141 ILE CB C 141 36.300 36.300 35.815 0.485 18989 8709 1 12 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.491 -0.141 18989 8710 1 12 . 1 1 142 142 PRO C C 142 179.300 179.300 179.362 -0.062 18989 8711 1 12 . 1 1 142 142 PRO CA C 142 66.700 66.700 66.080 0.620 18989 8712 1 12 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.332 -0.132 18989 8713 1 12 . 1 1 143 143 GLU N N 143 113.900 113.900 117.665 -3.765 18989 8714 1 12 . 1 1 143 143 GLU HA H 143 4.170 4.170 3.992 0.178 18989 8715 1 12 . 1 1 143 143 GLU C C 143 179.600 179.600 179.278 0.322 18989 8716 1 12 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.588 -0.288 18989 8717 1 12 . 1 1 143 143 GLU CB C 143 30.000 30.000 29.242 0.758 18989 8718 1 12 . 1 1 144 144 THR N N 144 119.900 119.900 117.412 2.488 18989 8719 1 12 . 1 1 144 144 THR HA H 144 4.290 4.290 4.104 0.186 18989 8720 1 12 . 1 1 144 144 THR C C 144 175.800 175.800 176.513 -0.713 18989 8721 1 12 . 1 1 144 144 THR CA C 144 67.000 67.000 66.854 0.146 18989 8722 1 12 . 1 1 144 144 THR CB C 144 69.500 69.500 68.557 0.943 18989 8723 1 12 . 1 1 145 145 LEU N N 145 120.300 120.300 121.395 -1.095 18989 8724 1 12 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.078 -0.168 18989 8725 1 12 . 1 1 145 145 LEU C C 145 178.700 178.700 178.512 0.188 18989 8726 1 12 . 1 1 145 145 LEU CA C 145 58.600 58.600 57.971 0.629 18989 8727 1 12 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.654 -0.154 18989 8728 1 12 . 1 1 146 146 VAL N N 146 117.600 117.600 118.498 -0.898 18989 8729 1 12 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.798 -0.118 18989 8730 1 12 . 1 1 146 146 VAL C C 146 177.700 177.700 178.494 -0.794 18989 8731 1 12 . 1 1 146 146 VAL CA C 146 66.100 66.100 65.677 0.423 18989 8732 1 12 . 1 1 146 146 VAL CB C 146 32.000 32.000 30.369 1.631 18989 8733 1 12 . 1 1 147 147 ALA N N 147 123.600 123.600 123.623 -0.023 18989 8734 1 12 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.054 0.176 18989 8735 1 12 . 1 1 147 147 ALA C C 147 180.400 180.400 179.859 0.541 18989 8736 1 12 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.420 0.180 18989 8737 1 12 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.215 0.585 18989 8738 1 12 . 1 1 148 148 ILE N N 148 119.600 119.600 119.184 0.416 18989 8739 1 12 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.608 -0.298 18989 8740 1 12 . 1 1 148 148 ILE C C 148 177.100 177.100 178.068 -0.968 18989 8741 1 12 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.319 0.981 18989 8742 1 12 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.673 0.527 18989 8743 1 12 . 1 1 149 149 GLN N N 149 119.200 119.200 119.334 -0.134 18989 8744 1 12 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.903 -0.233 18989 8745 1 12 . 1 1 149 149 GLN C C 149 178.000 178.000 178.066 -0.066 18989 8746 1 12 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.436 0.664 18989 8747 1 12 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.628 0.972 18989 8748 1 12 . 1 1 150 150 ARG N N 150 120.500 120.500 119.509 0.991 18989 8749 1 12 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.050 0.000 18989 8750 1 12 . 1 1 150 150 ARG C C 150 179.000 179.000 178.711 0.289 18989 8751 1 12 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.585 -0.285 18989 8752 1 12 . 1 1 150 150 ARG CB C 150 30.000 30.000 30.165 -0.165 18989 8753 1 12 . 1 1 151 151 ILE N N 151 119.100 119.100 120.440 -1.340 18989 8754 1 12 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.736 -0.086 18989 8755 1 12 . 1 1 151 151 ILE C C 151 178.500 178.500 177.795 0.705 18989 8756 1 12 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.550 0.750 18989 8757 1 12 . 1 1 151 151 ILE CB C 151 39.000 39.000 37.976 1.024 18989 8758 1 12 . 1 1 152 152 LEU N N 152 117.100 117.100 119.527 -2.427 18989 8759 1 12 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.823 0.257 18989 8760 1 12 . 1 1 152 152 LEU C C 152 178.700 178.700 179.021 -0.321 18989 8761 1 12 . 1 1 152 152 LEU CA C 152 57.000 57.000 58.068 -1.068 18989 8762 1 12 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.669 1.231 18989 8763 1 12 . 1 1 153 153 GLU N N 153 117.800 117.800 118.849 -1.049 18989 8764 1 12 . 1 1 153 153 GLU HA H 153 4.170 4.170 4.015 0.155 18989 8765 1 12 . 1 1 153 153 GLU C C 153 178.300 178.300 179.467 -1.167 18989 8766 1 12 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.303 -0.603 18989 8767 1 12 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.697 -0.397 18989 8768 1 12 . 1 1 154 154 VAL N N 154 119.500 119.500 118.435 1.065 18989 8769 1 12 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.972 0.028 18989 8770 1 12 . 1 1 154 154 VAL C C 154 177.500 177.500 178.310 -0.810 18989 8771 1 12 . 1 1 154 154 VAL CA C 154 64.700 64.700 65.824 -1.124 18989 8772 1 12 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.433 0.767 18989 8773 1 12 . 1 1 155 155 GLU N N 155 121.300 121.300 118.997 2.303 18989 8774 1 12 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.085 0.095 18989 8775 1 12 . 1 1 155 155 GLU C C 155 177.600 177.600 178.192 -0.592 18989 8776 1 12 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.036 -0.036 18989 8777 1 12 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.279 0.421 18989 8778 1 12 . 1 1 156 156 LEU N N 156 120.800 120.800 118.973 1.827 18989 8779 1 12 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.077 0.153 18989 8780 1 12 . 1 1 156 156 LEU C C 156 178.000 178.000 179.470 -1.470 18989 8781 1 12 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.394 -1.194 18989 8782 1 12 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.294 0.006 18989 8783 1 12 . 1 1 157 157 GLU N N 157 119.700 119.700 117.181 2.519 18989 8784 1 12 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.186 -0.056 18989 8785 1 12 . 1 1 157 157 GLU C C 157 177.000 177.000 176.883 0.117 18989 8786 1 12 . 1 1 157 157 GLU CA C 157 57.400 57.400 57.406 -0.006 18989 8787 1 12 . 1 1 157 157 GLU CB C 157 29.800 29.800 29.629 0.171 18989 8788 1 12 . 1 1 158 158 HIS N N 158 117.700 117.700 118.375 -0.675 18989 8789 1 12 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.436 0.194 18989 8790 1 12 . 1 1 158 158 HIS C C 158 173.900 173.900 175.362 -1.462 18989 8791 1 12 . 1 1 158 158 HIS CA C 158 56.000 56.000 56.437 -0.437 18989 8792 1 12 . 1 1 158 158 HIS CB C 158 30.000 30.000 29.590 0.410 18989 8793 1 12 . 1 1 159 159 HIS N N 159 125.200 125.200 112.884 12.316 18989 8794 1 12 . 1 1 159 159 HIS HA H 159 4.440 4.440 3.983 0.457 18989 8795 1 12 . 1 1 159 159 HIS CA C 159 57.300 57.300 56.329 0.971 18989 8796 1 12 . 1 1 159 159 HIS CB C 159 28.800 28.800 27.091 1.709 18989 8797 1 13 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.528 -0.128 18989 8798 1 13 . 1 1 2 2 PRO CA C 2 62.400 62.400 62.795 -0.395 18989 8799 1 13 . 1 1 2 2 PRO CB C 2 32.800 32.800 32.154 0.646 18989 8800 1 13 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.326 0.154 18989 8801 1 13 . 1 1 3 3 LYS C C 3 176.600 176.600 175.973 0.627 18989 8802 1 13 . 1 1 3 3 LYS CA C 3 55.900 55.900 56.732 -0.832 18989 8803 1 13 . 1 1 3 3 LYS CB C 3 34.200 34.200 32.989 1.210 18989 8804 1 13 . 1 1 4 4 SER N N 4 117.800 117.800 118.884 -1.084 18989 8805 1 13 . 1 1 4 4 SER HA H 4 4.220 4.220 4.597 -0.377 18989 8806 1 13 . 1 1 4 4 SER C C 4 174.100 174.100 174.709 -0.609 18989 8807 1 13 . 1 1 4 4 SER CA C 4 59.700 59.700 57.345 2.355 18989 8808 1 13 . 1 1 4 4 SER CB C 4 63.700 63.700 64.042 -0.342 18989 8809 1 13 . 1 1 5 5 LEU N N 5 124.700 124.700 123.684 1.016 18989 8810 1 13 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.601 0.199 18989 8811 1 13 . 1 1 5 5 LEU C C 5 175.500 175.500 175.788 -0.288 18989 8812 1 13 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.239 -0.239 18989 8813 1 13 . 1 1 5 5 LEU CB C 5 43.200 43.200 40.827 2.373 18989 8814 1 13 . 1 1 6 6 THR N N 6 111.200 111.200 114.084 -2.884 18989 8815 1 13 . 1 1 6 6 THR HA H 6 5.620 5.620 4.195 1.425 18989 8816 1 13 . 1 1 6 6 THR C C 6 174.500 174.500 172.568 1.932 18989 8817 1 13 . 1 1 6 6 THR CA C 6 59.700 59.700 61.158 -1.458 18989 8818 1 13 . 1 1 6 6 THR CB C 6 73.000 73.000 70.483 2.517 18989 8819 1 13 . 1 1 7 7 PHE N N 7 120.700 120.700 126.299 -5.599 18989 8820 1 13 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.944 -0.194 18989 8821 1 13 . 1 1 7 7 PHE C C 7 172.100 172.100 172.855 -0.755 18989 8822 1 13 . 1 1 7 7 PHE CA C 7 59.300 59.300 56.427 2.873 18989 8823 1 13 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.459 0.041 18989 8824 1 13 . 1 1 8 8 GLU N N 8 122.100 122.100 122.859 -0.759 18989 8825 1 13 . 1 1 8 8 GLU HA H 8 5.380 5.380 4.879 0.501 18989 8826 1 13 . 1 1 8 8 GLU C C 8 172.500 172.500 174.099 -1.599 18989 8827 1 13 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.245 0.255 18989 8828 1 13 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.452 0.048 18989 8829 1 13 . 1 1 9 9 ASP N N 9 117.400 117.400 121.372 -3.972 18989 8830 1 13 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.776 0.044 18989 8831 1 13 . 1 1 9 9 ASP C C 9 173.500 173.500 173.659 -0.159 18989 8832 1 13 . 1 1 9 9 ASP CA C 9 53.100 53.100 52.674 0.426 18989 8833 1 13 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.585 0.515 18989 8834 1 13 . 1 1 10 10 SER N N 10 113.600 113.600 116.520 -2.920 18989 8835 1 13 . 1 1 10 10 SER HA H 10 5.990 5.990 5.424 0.566 18989 8836 1 13 . 1 1 10 10 SER C C 10 172.600 172.600 173.083 -0.483 18989 8837 1 13 . 1 1 10 10 SER CA C 10 57.300 57.300 57.190 0.110 18989 8838 1 13 . 1 1 10 10 SER CB C 10 68.100 68.100 66.146 1.954 18989 8839 1 13 . 1 1 11 11 ILE N N 11 122.700 122.700 123.616 -0.916 18989 8840 1 13 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.385 0.135 18989 8841 1 13 . 1 1 11 11 ILE C C 11 171.300 171.300 173.493 -2.193 18989 8842 1 13 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.213 0.787 18989 8843 1 13 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.140 1.260 18989 8844 1 13 . 1 1 12 12 ASN N N 12 124.600 124.600 126.842 -2.242 18989 8845 1 13 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.840 0.440 18989 8846 1 13 . 1 1 12 12 ASN C C 12 174.700 174.700 175.109 -0.409 18989 8847 1 13 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.944 -0.644 18989 8848 1 13 . 1 1 12 12 ASN CB C 12 38.600 38.600 37.903 0.697 18989 8849 1 13 . 1 1 13 13 ILE N N 13 122.900 122.900 125.106 -2.206 18989 8850 1 13 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.229 0.221 18989 8851 1 13 . 1 1 13 13 ILE C C 13 175.300 175.300 176.720 -1.420 18989 8852 1 13 . 1 1 13 13 ILE CA C 13 60.300 60.300 61.030 -0.730 18989 8853 1 13 . 1 1 13 13 ILE CB C 13 41.600 41.600 39.065 2.535 18989 8854 1 13 . 1 1 14 14 ALA N N 14 136.600 136.600 128.320 8.280 18989 8855 1 13 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.245 0.455 18989 8856 1 13 . 1 1 14 14 ALA C C 14 175.100 175.100 176.614 -1.514 18989 8857 1 13 . 1 1 14 14 ALA CA C 14 51.000 51.000 52.987 -1.987 18989 8858 1 13 . 1 1 14 14 ALA CB C 14 16.300 16.300 18.761 -2.461 18989 8859 1 13 . 1 1 15 15 ALA N N 15 122.100 122.100 121.176 0.924 18989 8860 1 13 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.693 0.067 18989 8861 1 13 . 1 1 15 15 ALA CA C 15 50.000 50.000 48.997 1.003 18989 8862 1 13 . 1 1 15 15 ALA CB C 15 21.100 21.100 19.728 1.372 18989 8863 1 13 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.361 0.249 18989 8864 1 13 . 1 1 16 16 PRO C C 16 179.200 179.200 177.494 1.706 18989 8865 1 13 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.636 -0.536 18989 8866 1 13 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.788 0.311 18989 8867 1 13 . 1 1 17 17 ILE N N 17 124.400 124.400 121.276 3.124 18989 8868 1 13 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.758 0.232 18989 8869 1 13 . 1 1 17 17 ILE C C 17 175.800 175.800 176.969 -1.169 18989 8870 1 13 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.389 1.311 18989 8871 1 13 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.086 0.614 18989 8872 1 13 . 1 1 18 18 ASN N N 18 117.200 117.200 117.958 -0.758 18989 8873 1 13 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.351 0.339 18989 8874 1 13 . 1 1 18 18 ASN C C 18 178.700 178.700 177.403 1.297 18989 8875 1 13 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.702 -0.902 18989 8876 1 13 . 1 1 18 18 ASN CB C 18 37.100 37.100 38.176 -1.076 18989 8877 1 13 . 1 1 19 19 GLN N N 19 120.300 120.300 119.145 1.155 18989 8878 1 13 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.068 0.052 18989 8879 1 13 . 1 1 19 19 GLN C C 19 178.500 178.500 178.599 -0.099 18989 8880 1 13 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.589 -0.289 18989 8881 1 13 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.977 -0.676 18989 8882 1 13 . 1 1 20 20 VAL N N 20 120.300 120.300 119.802 0.498 18989 8883 1 13 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.729 -0.279 18989 8884 1 13 . 1 1 20 20 VAL C C 20 177.500 177.500 177.954 -0.454 18989 8885 1 13 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.365 -0.165 18989 8886 1 13 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.383 -0.483 18989 8887 1 13 . 1 1 21 21 TYR N N 21 118.800 118.800 121.481 -2.681 18989 8888 1 13 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.151 -0.571 18989 8889 1 13 . 1 1 21 21 TYR C C 21 177.800 177.800 176.818 0.982 18989 8890 1 13 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.063 1.837 18989 8891 1 13 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.188 0.212 18989 8892 1 13 . 1 1 22 22 ALA N N 22 120.400 120.400 120.389 0.011 18989 8893 1 13 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.940 -0.180 18989 8894 1 13 . 1 1 22 22 ALA C C 22 178.000 178.000 178.128 -0.128 18989 8895 1 13 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.115 0.585 18989 8896 1 13 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.355 0.145 18989 8897 1 13 . 1 1 23 23 LEU N N 23 116.400 116.400 118.663 -2.263 18989 8898 1 13 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.181 0.049 18989 8899 1 13 . 1 1 23 23 LEU C C 23 177.200 177.200 178.092 -0.892 18989 8900 1 13 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.486 1.514 18989 8901 1 13 . 1 1 23 23 LEU CB C 23 42.400 42.400 42.192 0.208 18989 8902 1 13 . 1 1 24 24 VAL N N 24 128.600 128.600 114.779 13.821 18989 8903 1 13 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.715 -0.355 18989 8904 1 13 . 1 1 24 24 VAL C C 24 175.200 175.200 176.826 -1.626 18989 8905 1 13 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.172 0.128 18989 8906 1 13 . 1 1 24 24 VAL CB C 24 30.800 30.800 31.623 -0.823 18989 8907 1 13 . 1 1 25 25 SER N N 25 108.500 108.500 114.325 -5.825 18989 8908 1 13 . 1 1 25 25 SER HA H 25 2.520 2.520 4.239 -1.719 18989 8909 1 13 . 1 1 25 25 SER CA C 25 58.200 58.200 56.765 1.435 18989 8910 1 13 . 1 1 25 25 SER CB C 25 63.600 63.600 64.700 -1.100 18989 8911 1 13 . 1 1 26 26 ASP HA H 26 4.910 4.910 3.766 1.144 18989 8912 1 13 . 1 1 26 26 ASP C C 26 175.500 175.500 176.876 -1.376 18989 8913 1 13 . 1 1 26 26 ASP CA C 26 51.200 51.200 55.952 -4.752 18989 8914 1 13 . 1 1 26 26 ASP CB C 26 38.100 38.100 39.634 -1.534 18989 8915 1 13 . 1 1 27 27 ILE N N 27 123.500 123.500 113.670 9.830 18989 8916 1 13 . 1 1 27 27 ILE HA H 27 3.390 3.390 3.629 -0.239 18989 8917 1 13 . 1 1 27 27 ILE C C 27 178.900 178.900 177.464 1.436 18989 8918 1 13 . 1 1 27 27 ILE CA C 27 61.700 61.700 63.958 -2.258 18989 8919 1 13 . 1 1 27 27 ILE CB C 27 36.600 36.600 36.990 -0.390 18989 8920 1 13 . 1 1 28 28 THR N N 28 112.500 112.500 108.899 3.601 18989 8921 1 13 . 1 1 28 28 THR HA H 28 4.350 4.350 3.891 0.459 18989 8922 1 13 . 1 1 28 28 THR C C 28 176.500 176.500 175.619 0.881 18989 8923 1 13 . 1 1 28 28 THR CA C 28 64.000 64.000 63.479 0.521 18989 8924 1 13 . 1 1 28 28 THR CB C 28 68.600 68.600 68.363 0.237 18989 8925 1 13 . 1 1 29 29 ARG N N 29 121.100 121.100 120.906 0.194 18989 8926 1 13 . 1 1 29 29 ARG HA H 29 4.280 4.280 3.941 0.339 18989 8927 1 13 . 1 1 29 29 ARG CA C 29 56.200 56.200 57.425 -1.225 18989 8928 1 13 . 1 1 29 29 ARG CB C 29 30.600 30.600 30.026 0.574 18989 8929 1 13 . 1 1 30 30 THR HA H 30 5.870 5.870 4.100 1.770 18989 8930 1 13 . 1 1 30 30 THR C C 30 174.000 174.000 174.360 -0.360 18989 8931 1 13 . 1 1 30 30 THR CA C 30 66.000 66.000 62.657 3.343 18989 8932 1 13 . 1 1 30 30 THR CB C 30 69.400 69.400 67.107 2.293 18989 8933 1 13 . 1 1 31 31 GLY N N 31 106.200 106.200 113.579 -7.379 18989 8934 1 13 . 1 1 31 31 GLY C C 31 175.200 175.200 173.512 1.688 18989 8935 1 13 . 1 1 31 31 GLY CA C 31 46.200 46.200 44.974 1.226 18989 8936 1 13 . 1 1 32 32 GLU N N 32 118.400 118.400 121.084 -2.684 18989 8937 1 13 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.045 -0.075 18989 8938 1 13 . 1 1 32 32 GLU C C 32 177.500 177.500 178.518 -1.018 18989 8939 1 13 . 1 1 32 32 GLU CA C 32 58.800 58.800 58.019 0.781 18989 8940 1 13 . 1 1 32 32 GLU CB C 32 29.800 29.800 29.766 0.034 18989 8941 1 13 . 1 1 33 33 TRP N N 33 113.200 113.200 118.625 -5.425 18989 8942 1 13 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.650 0.290 18989 8943 1 13 . 1 1 33 33 TRP C C 33 175.300 175.300 175.506 -0.206 18989 8944 1 13 . 1 1 33 33 TRP CA C 33 56.400 56.400 56.700 -0.300 18989 8945 1 13 . 1 1 33 33 TRP CB C 33 30.600 30.600 29.467 1.133 18989 8946 1 13 . 1 1 34 34 SER N N 34 118.600 118.600 114.832 3.768 18989 8947 1 13 . 1 1 34 34 SER HA H 34 4.930 4.930 4.138 0.792 18989 8948 1 13 . 1 1 34 34 SER CA C 34 54.700 54.700 58.165 -3.465 18989 8949 1 13 . 1 1 34 34 SER CB C 34 63.000 63.000 62.448 0.552 18989 8950 1 13 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.587 -0.127 18989 8951 1 13 . 1 1 35 35 PRO C C 35 177.100 177.100 177.532 -0.432 18989 8952 1 13 . 1 1 35 35 PRO CA C 35 64.500 64.500 64.246 0.254 18989 8953 1 13 . 1 1 35 35 PRO CB C 35 32.300 32.300 32.126 0.174 18989 8954 1 13 . 1 1 36 36 VAL N N 36 113.900 113.900 117.382 -3.482 18989 8955 1 13 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.109 -0.009 18989 8956 1 13 . 1 1 36 36 VAL C C 36 174.200 174.200 175.349 -1.149 18989 8957 1 13 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.428 0.472 18989 8958 1 13 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.908 0.592 18989 8959 1 13 . 1 1 37 37 CYS N N 37 121.000 121.000 117.839 3.161 18989 8960 1 13 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.403 0.057 18989 8961 1 13 . 1 1 37 37 CYS C C 37 173.600 173.600 175.165 -1.565 18989 8962 1 13 . 1 1 37 37 CYS CA C 37 58.500 58.500 58.449 0.051 18989 8963 1 13 . 1 1 37 37 CYS CB C 37 27.000 27.000 28.675 -1.675 18989 8964 1 13 . 1 1 38 38 GLU N N 38 129.300 129.300 129.004 0.296 18989 8965 1 13 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.324 -0.184 18989 8966 1 13 . 1 1 38 38 GLU C C 38 176.500 176.500 175.751 0.749 18989 8967 1 13 . 1 1 38 38 GLU CA C 38 57.900 57.900 57.612 0.288 18989 8968 1 13 . 1 1 38 38 GLU CB C 38 31.800 31.800 31.194 0.606 18989 8969 1 13 . 1 1 39 39 LYS N N 39 117.100 117.100 117.357 -0.257 18989 8970 1 13 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.518 -0.048 18989 8971 1 13 . 1 1 39 39 LYS C C 39 173.600 173.600 173.782 -0.182 18989 8972 1 13 . 1 1 39 39 LYS CA C 39 55.800 55.800 56.447 -0.646 18989 8973 1 13 . 1 1 39 39 LYS CB C 39 36.500 36.500 35.561 0.939 18989 8974 1 13 . 1 1 40 40 CYS N N 40 125.100 125.100 122.311 2.789 18989 8975 1 13 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.257 0.153 18989 8976 1 13 . 1 1 40 40 CYS C C 40 173.000 173.000 174.335 -1.335 18989 8977 1 13 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.099 0.001 18989 8978 1 13 . 1 1 40 40 CYS CB C 40 30.100 30.100 29.166 0.934 18989 8979 1 13 . 1 1 41 41 TRP N N 41 124.300 124.300 127.767 -3.467 18989 8980 1 13 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.851 -0.021 18989 8981 1 13 . 1 1 41 41 TRP C C 41 174.100 174.100 174.278 -0.178 18989 8982 1 13 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.128 0.172 18989 8983 1 13 . 1 1 41 41 TRP CB C 41 32.400 32.400 32.763 -0.363 18989 8984 1 13 . 1 1 42 42 TRP N N 42 123.700 123.700 126.594 -2.894 18989 8985 1 13 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.884 -0.054 18989 8986 1 13 . 1 1 42 42 TRP C C 42 178.200 178.200 176.212 1.988 18989 8987 1 13 . 1 1 42 42 TRP CA C 42 57.000 57.000 55.107 1.893 18989 8988 1 13 . 1 1 42 42 TRP CB C 42 31.600 31.600 32.075 -0.475 18989 8989 1 13 . 1 1 43 43 ASP N N 43 124.400 124.400 123.990 0.410 18989 8990 1 13 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.597 0.083 18989 8991 1 13 . 1 1 43 43 ASP C C 43 176.300 176.300 177.109 -0.809 18989 8992 1 13 . 1 1 43 43 ASP CA C 43 56.300 56.300 57.143 -0.843 18989 8993 1 13 . 1 1 43 43 ASP CB C 43 40.300 40.300 41.139 -0.839 18989 8994 1 13 . 1 1 44 44 GLU N N 44 119.400 119.400 120.355 -0.955 18989 8995 1 13 . 1 1 44 44 GLU HA H 44 4.270 4.270 3.729 0.541 18989 8996 1 13 . 1 1 44 44 GLU C C 44 176.500 176.500 177.859 -1.359 18989 8997 1 13 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.452 -0.852 18989 8998 1 13 . 1 1 44 44 GLU CB C 44 30.200 30.200 28.174 2.026 18989 8999 1 13 . 1 1 45 45 ASP N N 45 118.300 118.300 117.685 0.615 18989 9000 1 13 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.341 0.139 18989 9001 1 13 . 1 1 45 45 ASP C C 45 175.900 175.900 177.235 -1.335 18989 9002 1 13 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.189 -0.189 18989 9003 1 13 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.548 -0.348 18989 9004 1 13 . 1 1 46 46 GLU N N 46 118.200 118.200 117.132 1.068 18989 9005 1 13 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.449 0.011 18989 9006 1 13 . 1 1 46 46 GLU C C 46 175.200 175.200 176.706 -1.506 18989 9007 1 13 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.601 -0.001 18989 9008 1 13 . 1 1 46 46 GLU CB C 46 30.800 30.800 31.027 -0.227 18989 9009 1 13 . 1 1 47 47 GLY N N 47 106.400 106.400 108.869 -2.469 18989 9010 1 13 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.228 -0.628 18989 9011 1 13 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.523 0.067 18989 9012 1 13 . 1 1 48 48 PRO C C 48 173.400 173.400 176.285 -2.885 18989 9013 1 13 . 1 1 48 48 PRO CA C 48 63.100 63.100 63.208 -0.108 18989 9014 1 13 . 1 1 48 48 PRO CB C 48 29.100 29.100 30.800 -1.700 18989 9015 1 13 . 1 1 49 49 VAL N N 49 121.900 121.900 118.536 3.364 18989 9016 1 13 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.508 0.102 18989 9017 1 13 . 1 1 49 49 VAL C C 49 175.100 175.100 175.034 0.066 18989 9018 1 13 . 1 1 49 49 VAL CA C 49 59.300 59.300 59.112 0.188 18989 9019 1 13 . 1 1 49 49 VAL CB C 49 35.500 35.500 35.389 0.112 18989 9020 1 13 . 1 1 50 50 VAL N N 50 121.700 121.700 122.580 -0.880 18989 9021 1 13 . 1 1 50 50 VAL HA H 50 3.300 3.300 4.094 -0.794 18989 9022 1 13 . 1 1 50 50 VAL C C 50 177.400 177.400 176.975 0.425 18989 9023 1 13 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.837 2.363 18989 9024 1 13 . 1 1 50 50 VAL CB C 50 31.300 31.300 30.285 1.015 18989 9025 1 13 . 1 1 51 51 GLY N N 51 115.800 115.800 115.868 -0.068 18989 9026 1 13 . 1 1 51 51 GLY C C 51 174.200 174.200 173.932 0.268 18989 9027 1 13 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.965 -0.365 18989 9028 1 13 . 1 1 52 52 ALA N N 52 123.000 123.000 125.888 -2.888 18989 9029 1 13 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.592 -0.042 18989 9030 1 13 . 1 1 52 52 ALA C C 52 177.300 177.300 175.759 1.541 18989 9031 1 13 . 1 1 52 52 ALA CA C 52 52.800 52.800 52.443 0.357 18989 9032 1 13 . 1 1 52 52 ALA CB C 52 23.100 23.100 20.642 2.458 18989 9033 1 13 . 1 1 53 53 HIS N N 53 115.900 115.900 116.841 -0.941 18989 9034 1 13 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.446 0.574 18989 9035 1 13 . 1 1 53 53 HIS C C 53 174.200 174.200 173.545 0.655 18989 9036 1 13 . 1 1 53 53 HIS CA C 53 55.200 55.200 53.960 1.240 18989 9037 1 13 . 1 1 53 53 HIS CB C 53 32.100 32.100 32.096 0.004 18989 9038 1 13 . 1 1 54 54 PHE N N 54 115.800 115.800 119.809 -4.009 18989 9039 1 13 . 1 1 54 54 PHE HA H 54 5.150 5.150 5.055 0.095 18989 9040 1 13 . 1 1 54 54 PHE C C 54 172.600 172.600 173.879 -1.279 18989 9041 1 13 . 1 1 54 54 PHE CA C 54 55.500 55.500 55.563 -0.063 18989 9042 1 13 . 1 1 54 54 PHE CB C 54 41.700 41.700 40.235 1.465 18989 9043 1 13 . 1 1 55 55 THR N N 55 118.300 118.300 120.526 -2.226 18989 9044 1 13 . 1 1 55 55 THR HA H 55 4.770 4.770 5.029 -0.259 18989 9045 1 13 . 1 1 55 55 THR C C 55 171.800 171.800 174.220 -2.420 18989 9046 1 13 . 1 1 55 55 THR CA C 55 61.000 61.000 61.468 -0.468 18989 9047 1 13 . 1 1 55 55 THR CB C 55 70.200 70.200 70.001 0.199 18989 9048 1 13 . 1 1 56 56 GLY N N 56 110.500 110.500 113.937 -3.437 18989 9049 1 13 . 1 1 56 56 GLY C C 56 171.100 171.100 172.721 -1.621 18989 9050 1 13 . 1 1 56 56 GLY CA C 56 44.300 44.300 43.989 0.311 18989 9051 1 13 . 1 1 57 57 ARG N N 57 123.800 123.800 127.373 -3.573 18989 9052 1 13 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.350 0.310 18989 9053 1 13 . 1 1 57 57 ARG C C 57 172.900 172.900 174.837 -1.937 18989 9054 1 13 . 1 1 57 57 ARG CA C 57 55.300 55.300 54.383 0.917 18989 9055 1 13 . 1 1 57 57 ARG CB C 57 32.500 32.500 29.935 2.565 18989 9056 1 13 . 1 1 58 58 ASN N N 58 127.200 127.200 125.209 1.991 18989 9057 1 13 . 1 1 58 58 ASN HA H 58 5.060 5.060 4.963 0.097 18989 9058 1 13 . 1 1 58 58 ASN C C 58 173.100 173.100 173.419 -0.319 18989 9059 1 13 . 1 1 58 58 ASN CA C 58 51.900 51.900 52.588 -0.688 18989 9060 1 13 . 1 1 58 58 ASN CB C 58 38.800 38.800 41.191 -2.391 18989 9061 1 13 . 1 1 59 59 VAL N N 59 121.400 121.400 125.957 -4.557 18989 9062 1 13 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.476 0.204 18989 9063 1 13 . 1 1 59 59 VAL C C 59 175.100 175.100 173.882 1.218 18989 9064 1 13 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.388 2.012 18989 9065 1 13 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.188 1.612 18989 9066 1 13 . 1 1 60 60 THR N N 60 118.000 118.000 120.828 -2.828 18989 9067 1 13 . 1 1 60 60 THR HA H 60 5.000 5.000 4.982 0.018 18989 9068 1 13 . 1 1 60 60 THR CA C 60 58.900 58.900 58.488 0.412 18989 9069 1 13 . 1 1 60 60 THR CB C 60 70.200 70.200 69.788 0.411 18989 9070 1 13 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.264 0.016 18989 9071 1 13 . 1 1 61 61 PRO C C 61 177.700 177.700 177.483 0.217 18989 9072 1 13 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.922 0.578 18989 9073 1 13 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.804 -0.004 18989 9074 1 13 . 1 1 62 62 GLU N N 62 111.700 111.700 116.875 -5.175 18989 9075 1 13 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.266 0.014 18989 9076 1 13 . 1 1 62 62 GLU C C 62 176.500 176.500 176.850 -0.350 18989 9077 1 13 . 1 1 62 62 GLU CA C 62 57.600 57.600 56.421 1.179 18989 9078 1 13 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.340 0.660 18989 9079 1 13 . 1 1 63 63 ARG N N 63 118.000 118.000 120.262 -2.262 18989 9080 1 13 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.739 -0.049 18989 9081 1 13 . 1 1 63 63 ARG C C 63 174.000 174.000 174.599 -0.599 18989 9082 1 13 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.528 1.172 18989 9083 1 13 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.650 0.050 18989 9084 1 13 . 1 1 64 64 THR N N 64 120.700 120.700 121.300 -0.600 18989 9085 1 13 . 1 1 64 64 THR HA H 64 5.780 5.780 5.133 0.647 18989 9086 1 13 . 1 1 64 64 THR C C 64 174.000 174.000 173.727 0.273 18989 9087 1 13 . 1 1 64 64 THR CA C 64 61.600 61.600 61.662 -0.062 18989 9088 1 13 . 1 1 64 64 THR CB C 64 71.700 71.700 69.894 1.806 18989 9089 1 13 . 1 1 65 65 TRP N N 65 128.000 128.000 129.150 -1.150 18989 9090 1 13 . 1 1 65 65 TRP HA H 65 5.170 5.170 5.012 0.158 18989 9091 1 13 . 1 1 65 65 TRP C C 65 172.800 172.800 173.542 -0.742 18989 9092 1 13 . 1 1 65 65 TRP CA C 65 57.300 57.300 56.822 0.478 18989 9093 1 13 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.418 -0.518 18989 9094 1 13 . 1 1 66 66 GLU N N 66 120.800 120.800 124.953 -4.153 18989 9095 1 13 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.836 0.754 18989 9096 1 13 . 1 1 66 66 GLU C C 66 177.300 177.300 175.550 1.750 18989 9097 1 13 . 1 1 66 66 GLU CA C 66 54.200 54.200 54.563 -0.363 18989 9098 1 13 . 1 1 66 66 GLU CB C 66 32.700 32.700 31.171 1.529 18989 9099 1 13 . 1 1 67 67 THR N N 67 113.700 113.700 115.134 -1.434 18989 9100 1 13 . 1 1 67 67 THR HA H 67 4.750 4.750 4.700 0.050 18989 9101 1 13 . 1 1 67 67 THR C C 67 173.300 173.300 174.159 -0.859 18989 9102 1 13 . 1 1 67 67 THR CA C 67 59.500 59.500 61.224 -1.724 18989 9103 1 13 . 1 1 67 67 THR CB C 67 71.500 71.500 70.753 0.747 18989 9104 1 13 . 1 1 68 68 ARG N N 68 125.300 125.300 129.188 -3.888 18989 9105 1 13 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.471 0.389 18989 9106 1 13 . 1 1 68 68 ARG C C 68 175.700 175.700 175.009 0.691 18989 9107 1 13 . 1 1 68 68 ARG CA C 68 55.000 55.000 55.209 -0.209 18989 9108 1 13 . 1 1 68 68 ARG CB C 68 31.700 31.700 30.040 1.660 18989 9109 1 13 . 1 1 69 69 SER N N 69 122.000 122.000 123.887 -1.887 18989 9110 1 13 . 1 1 69 69 SER HA H 69 5.570 5.570 4.707 0.863 18989 9111 1 13 . 1 1 69 69 SER C C 69 172.200 172.200 172.232 -0.032 18989 9112 1 13 . 1 1 69 69 SER CA C 69 58.000 58.000 57.655 0.345 18989 9113 1 13 . 1 1 69 69 SER CB C 69 66.700 66.700 62.953 3.747 18989 9114 1 13 . 1 1 70 70 GLU N N 70 121.900 121.900 128.525 -6.625 18989 9115 1 13 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.849 0.351 18989 9116 1 13 . 1 1 70 70 GLU C C 70 176.000 176.000 176.280 -0.280 18989 9117 1 13 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.734 -1.134 18989 9118 1 13 . 1 1 70 70 GLU CB C 70 34.700 34.700 31.814 2.886 18989 9119 1 13 . 1 1 71 71 VAL N N 71 126.600 126.600 128.371 -1.771 18989 9120 1 13 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.127 0.123 18989 9121 1 13 . 1 1 71 71 VAL C C 71 177.600 177.600 176.508 1.092 18989 9122 1 13 . 1 1 71 71 VAL CA C 71 64.800 64.800 64.277 0.523 18989 9123 1 13 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.813 1.387 18989 9124 1 13 . 1 1 72 72 ILE N N 72 123.200 123.200 124.693 -1.493 18989 9125 1 13 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.307 0.423 18989 9126 1 13 . 1 1 72 72 ILE C C 72 175.200 175.200 175.504 -0.304 18989 9127 1 13 . 1 1 72 72 ILE CA C 72 62.000 62.000 61.935 0.065 18989 9128 1 13 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.568 1.032 18989 9129 1 13 . 1 1 73 73 VAL N N 73 121.700 121.700 121.642 0.058 18989 9130 1 13 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.342 -0.142 18989 9131 1 13 . 1 1 73 73 VAL C C 73 172.000 172.000 173.737 -1.737 18989 9132 1 13 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.607 0.493 18989 9133 1 13 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.153 -0.453 18989 9134 1 13 . 1 1 74 74 ALA N N 74 131.100 131.100 131.195 -0.095 18989 9135 1 13 . 1 1 74 74 ALA HA H 74 5.320 5.320 4.890 0.430 18989 9136 1 13 . 1 1 74 74 ALA C C 74 174.900 174.900 176.886 -1.986 18989 9137 1 13 . 1 1 74 74 ALA CA C 74 52.700 52.700 52.283 0.417 18989 9138 1 13 . 1 1 74 74 ALA CB C 74 18.300 18.300 19.603 -1.303 18989 9139 1 13 . 1 1 75 75 GLU N N 75 126.100 126.100 123.154 2.946 18989 9140 1 13 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.729 0.241 18989 9141 1 13 . 1 1 75 75 GLU CA C 75 52.100 52.100 53.229 -1.129 18989 9142 1 13 . 1 1 75 75 GLU CB C 75 31.300 31.300 29.250 2.050 18989 9143 1 13 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.398 -1.778 18989 9144 1 13 . 1 1 76 76 PRO CA C 76 63.900 63.900 62.075 1.825 18989 9145 1 13 . 1 1 76 76 PRO CB C 76 31.900 31.900 30.373 1.527 18989 9146 1 13 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.500 -0.740 18989 9147 1 13 . 1 1 77 77 ASN C C 77 172.700 172.700 174.223 -1.523 18989 9148 1 13 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.426 1.674 18989 9149 1 13 . 1 1 77 77 ASN CB C 77 36.900 36.900 37.508 -0.608 18989 9150 1 13 . 1 1 78 78 ARG N N 78 115.300 115.300 120.044 -4.744 18989 9151 1 13 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.539 0.361 18989 9152 1 13 . 1 1 78 78 ARG C C 78 176.000 176.000 174.371 1.629 18989 9153 1 13 . 1 1 78 78 ARG CA C 78 58.300 58.300 57.640 0.660 18989 9154 1 13 . 1 1 78 78 ARG CB C 78 34.000 34.000 32.964 1.036 18989 9155 1 13 . 1 1 79 79 CYS N N 79 117.700 117.700 118.044 -0.344 18989 9156 1 13 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.221 0.449 18989 9157 1 13 . 1 1 79 79 CYS C C 79 172.200 172.200 173.138 -0.938 18989 9158 1 13 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.242 -0.042 18989 9159 1 13 . 1 1 79 79 CYS CB C 79 29.500 29.500 27.833 1.667 18989 9160 1 13 . 1 1 80 80 PHE N N 80 129.500 129.500 129.786 -0.286 18989 9161 1 13 . 1 1 80 80 PHE HA H 80 5.520 5.520 4.916 0.604 18989 9162 1 13 . 1 1 80 80 PHE C C 80 173.400 173.400 174.357 -0.957 18989 9163 1 13 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.679 1.221 18989 9164 1 13 . 1 1 80 80 PHE CB C 80 43.800 43.800 40.354 3.446 18989 9165 1 13 . 1 1 81 81 GLY N N 81 114.500 114.500 115.420 -0.920 18989 9166 1 13 . 1 1 81 81 GLY C C 81 171.900 171.900 172.214 -0.314 18989 9167 1 13 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.345 2.255 18989 9168 1 13 . 1 1 82 82 TRP N N 82 121.700 121.700 119.828 1.872 18989 9169 1 13 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.595 0.195 18989 9170 1 13 . 1 1 82 82 TRP C C 82 171.500 171.500 173.521 -2.021 18989 9171 1 13 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.831 2.569 18989 9172 1 13 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.547 1.353 18989 9173 1 13 . 1 1 83 83 SER N N 83 113.600 113.600 114.857 -1.257 18989 9174 1 13 . 1 1 83 83 SER HA H 83 5.680 5.680 5.195 0.485 18989 9175 1 13 . 1 1 83 83 SER C C 83 174.500 174.500 174.651 -0.151 18989 9176 1 13 . 1 1 83 83 SER CA C 83 54.800 54.800 56.808 -2.008 18989 9177 1 13 . 1 1 83 83 SER CB C 83 66.700 66.700 65.306 1.394 18989 9178 1 13 . 1 1 84 84 VAL N N 84 125.400 125.400 126.954 -1.554 18989 9179 1 13 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.618 0.232 18989 9180 1 13 . 1 1 84 84 VAL C C 84 176.500 176.500 176.417 0.083 18989 9181 1 13 . 1 1 84 84 VAL CA C 84 61.400 61.400 62.624 -1.224 18989 9182 1 13 . 1 1 84 84 VAL CB C 84 34.600 34.600 31.994 2.606 18989 9183 1 13 . 1 1 85 85 THR N N 85 120.300 120.300 122.923 -2.623 18989 9184 1 13 . 1 1 85 85 THR HA H 85 3.720 3.720 3.973 -0.253 18989 9185 1 13 . 1 1 85 85 THR C C 85 173.500 173.500 174.476 -0.976 18989 9186 1 13 . 1 1 85 85 THR CA C 85 62.900 62.900 64.094 -1.194 18989 9187 1 13 . 1 1 85 85 THR CB C 85 66.600 66.600 67.793 -1.194 18989 9188 1 13 . 1 1 86 86 ASP N N 86 119.000 119.000 123.915 -4.915 18989 9189 1 13 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.184 0.036 18989 9190 1 13 . 1 1 86 86 ASP C C 86 177.100 177.100 175.337 1.763 18989 9191 1 13 . 1 1 86 86 ASP CA C 86 54.700 54.700 56.745 -2.045 18989 9192 1 13 . 1 1 86 86 ASP CB C 86 39.700 39.700 40.322 -0.622 18989 9193 1 13 . 1 1 87 87 GLY N N 87 103.400 103.400 105.340 -1.940 18989 9194 1 13 . 1 1 87 87 GLY C C 87 175.000 175.000 173.441 1.559 18989 9195 1 13 . 1 1 87 87 GLY CA C 87 45.600 45.600 44.824 0.776 18989 9196 1 13 . 1 1 88 88 ASN N N 88 122.300 122.300 119.480 2.820 18989 9197 1 13 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.470 -0.360 18989 9198 1 13 . 1 1 88 88 ASN C C 88 174.500 174.500 174.662 -0.162 18989 9199 1 13 . 1 1 88 88 ASN CA C 88 55.600 55.600 56.328 -0.729 18989 9200 1 13 . 1 1 88 88 ASN CB C 88 38.200 38.200 39.479 -1.279 18989 9201 1 13 . 1 1 89 89 VAL N N 89 115.700 115.700 116.240 -0.540 18989 9202 1 13 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.803 0.027 18989 9203 1 13 . 1 1 89 89 VAL C C 89 174.700 174.700 174.341 0.359 18989 9204 1 13 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.166 -1.567 18989 9205 1 13 . 1 1 89 89 VAL CB C 89 37.000 37.000 35.511 1.488 18989 9206 1 13 . 1 1 90 90 LYS N N 90 123.600 123.600 122.930 0.670 18989 9207 1 13 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.985 0.025 18989 9208 1 13 . 1 1 90 90 LYS C C 90 174.100 174.100 174.144 -0.044 18989 9209 1 13 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.381 -0.481 18989 9210 1 13 . 1 1 90 90 LYS CB C 90 36.300 36.300 36.387 -0.087 18989 9211 1 13 . 1 1 91 91 TRP N N 91 124.600 124.600 126.159 -1.559 18989 9212 1 13 . 1 1 91 91 TRP HA H 91 5.100 5.100 5.073 0.027 18989 9213 1 13 . 1 1 91 91 TRP C C 91 174.600 174.600 174.932 -0.332 18989 9214 1 13 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.229 -0.329 18989 9215 1 13 . 1 1 91 91 TRP CB C 91 30.800 30.800 31.432 -0.632 18989 9216 1 13 . 1 1 92 92 ILE N N 92 118.000 118.000 123.000 -5.000 18989 9217 1 13 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.320 0.240 18989 9218 1 13 . 1 1 92 92 ILE C C 92 176.300 176.300 174.549 1.751 18989 9219 1 13 . 1 1 92 92 ILE CA C 92 60.800 60.800 58.984 1.816 18989 9220 1 13 . 1 1 92 92 ILE CB C 92 42.100 42.100 38.472 3.628 18989 9221 1 13 . 1 1 93 93 TYR N N 93 127.700 127.700 128.311 -0.611 18989 9222 1 13 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.256 0.594 18989 9223 1 13 . 1 1 93 93 TYR C C 93 175.300 175.300 175.412 -0.112 18989 9224 1 13 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.737 0.363 18989 9225 1 13 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.372 2.428 18989 9226 1 13 . 1 1 94 94 SER N N 94 117.900 117.900 118.854 -0.954 18989 9227 1 13 . 1 1 94 94 SER HA H 94 5.510 5.510 4.716 0.794 18989 9228 1 13 . 1 1 94 94 SER C C 94 172.700 172.700 173.733 -1.033 18989 9229 1 13 . 1 1 94 94 SER CA C 94 57.300 57.300 58.109 -0.809 18989 9230 1 13 . 1 1 94 94 SER CB C 94 65.600 65.600 63.810 1.790 18989 9231 1 13 . 1 1 95 95 MET N N 95 119.600 119.600 126.694 -7.094 18989 9232 1 13 . 1 1 95 95 MET HA H 95 5.840 5.840 4.877 0.963 18989 9233 1 13 . 1 1 95 95 MET C C 95 173.800 173.800 174.950 -1.150 18989 9234 1 13 . 1 1 95 95 MET CA C 95 54.200 54.200 53.393 0.807 18989 9235 1 13 . 1 1 95 95 MET CB C 95 37.400 37.400 32.598 4.802 18989 9236 1 13 . 1 1 96 96 GLU N N 96 119.100 119.100 124.374 -5.274 18989 9237 1 13 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.921 0.049 18989 9238 1 13 . 1 1 96 96 GLU CA C 96 52.900 52.900 52.821 0.079 18989 9239 1 13 . 1 1 96 96 GLU CB C 96 33.000 33.000 30.351 2.649 18989 9240 1 13 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.470 0.350 18989 9241 1 13 . 1 1 97 97 PRO C C 97 176.300 176.300 176.405 -0.105 18989 9242 1 13 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.789 0.311 18989 9243 1 13 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.389 1.311 18989 9244 1 13 . 1 1 98 98 LEU N N 98 122.900 122.900 126.701 -3.801 18989 9245 1 13 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.423 0.107 18989 9246 1 13 . 1 1 98 98 LEU C C 98 176.200 176.200 178.480 -2.280 18989 9247 1 13 . 1 1 98 98 LEU CA C 98 54.200 54.200 54.192 0.008 18989 9248 1 13 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.641 1.459 18989 9249 1 13 . 1 1 99 99 GLU N N 99 124.700 124.700 119.805 4.895 18989 9250 1 13 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.204 -0.344 18989 9251 1 13 . 1 1 99 99 GLU C C 99 176.900 176.900 176.500 0.400 18989 9252 1 13 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.383 1.117 18989 9253 1 13 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.839 -1.839 18989 9254 1 13 . 1 1 100 100 GLU N N 100 118.200 118.200 116.278 1.922 18989 9255 1 13 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.450 -0.020 18989 9256 1 13 . 1 1 100 100 GLU C C 100 176.200 176.200 175.472 0.728 18989 9257 1 13 . 1 1 100 100 GLU CA C 100 56.400 56.400 55.560 0.840 18989 9258 1 13 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.421 -0.520 18989 9259 1 13 . 1 1 101 101 GLY N N 101 110.100 110.100 107.922 2.178 18989 9260 1 13 . 1 1 101 101 GLY C C 101 174.100 174.100 172.724 1.376 18989 9261 1 13 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.388 -0.388 18989 9262 1 13 . 1 1 102 102 THR N N 102 120.200 120.200 116.018 4.182 18989 9263 1 13 . 1 1 102 102 THR HA H 102 4.850 4.850 4.910 -0.060 18989 9264 1 13 . 1 1 102 102 THR C C 102 172.700 172.700 173.510 -0.810 18989 9265 1 13 . 1 1 102 102 THR CA C 102 63.700 63.700 62.223 1.477 18989 9266 1 13 . 1 1 102 102 THR CB C 102 73.600 73.600 72.246 1.354 18989 9267 1 13 . 1 1 103 103 VAL N N 103 125.600 125.600 127.273 -1.673 18989 9268 1 13 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.575 0.335 18989 9269 1 13 . 1 1 103 103 VAL C C 103 175.000 175.000 175.284 -0.284 18989 9270 1 13 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.642 -0.342 18989 9271 1 13 . 1 1 103 103 VAL CB C 103 32.700 32.700 30.939 1.761 18989 9272 1 13 . 1 1 104 104 LEU N N 104 133.900 133.900 131.045 2.855 18989 9273 1 13 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.844 0.296 18989 9274 1 13 . 1 1 104 104 LEU C C 104 173.800 173.800 175.567 -1.767 18989 9275 1 13 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.372 -1.072 18989 9276 1 13 . 1 1 104 104 LEU CB C 104 46.100 46.100 42.763 3.337 18989 9277 1 13 . 1 1 105 105 THR N N 105 124.400 124.400 124.920 -0.520 18989 9278 1 13 . 1 1 105 105 THR HA H 105 5.210 5.210 4.862 0.348 18989 9279 1 13 . 1 1 105 105 THR C C 105 173.500 173.500 172.848 0.652 18989 9280 1 13 . 1 1 105 105 THR CA C 105 61.500 61.500 61.741 -0.241 18989 9281 1 13 . 1 1 105 105 THR CB C 105 71.100 71.100 69.523 1.577 18989 9282 1 13 . 1 1 106 106 GLU N N 106 126.900 126.900 128.854 -1.954 18989 9283 1 13 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.492 0.868 18989 9284 1 13 . 1 1 106 106 GLU C C 106 173.400 173.400 174.799 -1.399 18989 9285 1 13 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.790 -0.390 18989 9286 1 13 . 1 1 106 106 GLU CB C 106 32.000 32.000 31.680 0.320 18989 9287 1 13 . 1 1 107 107 SER N N 107 120.800 120.800 123.267 -2.467 18989 9288 1 13 . 1 1 107 107 SER HA H 107 5.470 5.470 4.957 0.513 18989 9289 1 13 . 1 1 107 107 SER C C 107 171.600 171.600 172.973 -1.373 18989 9290 1 13 . 1 1 107 107 SER CA C 107 56.000 56.000 57.505 -1.505 18989 9291 1 13 . 1 1 107 107 SER CB C 107 66.700 66.700 64.384 2.316 18989 9292 1 13 . 1 1 108 108 TRP N N 108 124.600 124.600 129.249 -4.649 18989 9293 1 13 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.767 -0.087 18989 9294 1 13 . 1 1 108 108 TRP C C 108 175.000 175.000 174.583 0.417 18989 9295 1 13 . 1 1 108 108 TRP CA C 108 55.900 55.900 55.443 0.457 18989 9296 1 13 . 1 1 108 108 TRP CB C 108 33.600 33.600 31.134 2.466 18989 9297 1 13 . 1 1 109 109 GLU N N 109 127.200 127.200 126.601 0.599 18989 9298 1 13 . 1 1 109 109 GLU HA H 109 4.500 4.500 3.968 0.532 18989 9299 1 13 . 1 1 109 109 GLU C C 109 172.300 172.300 173.818 -1.518 18989 9300 1 13 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.704 -0.604 18989 9301 1 13 . 1 1 109 109 GLU CB C 109 32.900 32.900 33.567 -0.667 18989 9302 1 13 . 1 1 110 110 PHE N N 110 129.400 129.400 125.262 4.138 18989 9303 1 13 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.959 -0.269 18989 9304 1 13 . 1 1 110 110 PHE C C 110 177.100 177.100 175.181 1.919 18989 9305 1 13 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.005 -2.005 18989 9306 1 13 . 1 1 110 110 PHE CB C 110 38.500 38.500 41.563 -3.063 18989 9307 1 13 . 1 1 111 111 THR N N 111 117.800 117.800 123.044 -5.244 18989 9308 1 13 . 1 1 111 111 THR HA H 111 4.510 4.510 4.525 -0.015 18989 9309 1 13 . 1 1 111 111 THR CA C 111 61.800 61.800 59.540 2.260 18989 9310 1 13 . 1 1 111 111 THR CB C 111 66.100 66.100 69.827 -3.727 18989 9311 1 13 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.257 -0.267 18989 9312 1 13 . 1 1 113 113 LYS C C 113 179.200 179.200 178.147 1.053 18989 9313 1 13 . 1 1 114 114 GLY N N 114 110.100 110.100 107.250 2.850 18989 9314 1 13 . 1 1 114 114 GLY CA C 114 47.100 47.100 47.190 -0.090 18989 9315 1 13 . 1 1 115 115 GLN N N 115 121.100 121.100 119.565 1.535 18989 9316 1 13 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.666 -0.656 18989 9317 1 13 . 1 1 115 115 GLN C C 115 178.000 178.000 178.436 -0.436 18989 9318 1 13 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.366 1.534 18989 9319 1 13 . 1 1 115 115 GLN CB C 115 29.400 29.400 27.778 1.622 18989 9320 1 13 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.194 -0.054 18989 9321 1 13 . 1 1 116 116 ARG C C 116 177.900 177.900 177.320 0.580 18989 9322 1 13 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.202 0.298 18989 9323 1 13 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.832 0.168 18989 9324 1 13 . 1 1 117 117 PHE N N 117 120.800 120.800 119.833 0.967 18989 9325 1 13 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.179 0.291 18989 9326 1 13 . 1 1 117 117 PHE C C 117 178.100 178.100 176.879 1.221 18989 9327 1 13 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.443 -0.243 18989 9328 1 13 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.885 0.115 18989 9329 1 13 . 1 1 118 118 PHE N N 118 119.600 119.600 114.931 4.669 18989 9330 1 13 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.669 -0.439 18989 9331 1 13 . 1 1 118 118 PHE C C 118 178.500 178.500 177.793 0.707 18989 9332 1 13 . 1 1 118 118 PHE CA C 118 62.300 62.300 61.185 1.115 18989 9333 1 13 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.602 0.598 18989 9334 1 13 . 1 1 119 119 HIS N N 119 120.900 120.900 121.583 -0.683 18989 9335 1 13 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.556 0.064 18989 9336 1 13 . 1 1 119 119 HIS C C 119 178.500 178.500 177.453 1.047 18989 9337 1 13 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.596 0.304 18989 9338 1 13 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.295 -0.595 18989 9339 1 13 . 1 1 120 120 ASP N N 120 120.400 120.400 119.849 0.551 18989 9340 1 13 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.462 -0.132 18989 9341 1 13 . 1 1 120 120 ASP C C 120 177.500 177.500 177.513 -0.013 18989 9342 1 13 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.566 0.634 18989 9343 1 13 . 1 1 120 120 ASP CB C 120 40.500 40.500 40.589 -0.089 18989 9344 1 13 . 1 1 121 121 LYS N N 121 118.100 118.100 117.435 0.665 18989 9345 1 13 . 1 1 121 121 LYS HA H 121 3.810 3.810 4.069 -0.259 18989 9346 1 13 . 1 1 121 121 LYS C C 121 178.200 178.200 177.621 0.579 18989 9347 1 13 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.734 0.366 18989 9348 1 13 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.841 0.359 18989 9349 1 13 . 1 1 122 122 PHE N N 122 112.800 112.800 117.016 -4.216 18989 9350 1 13 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.535 0.145 18989 9351 1 13 . 1 1 122 122 PHE C C 122 177.600 177.600 177.389 0.211 18989 9352 1 13 . 1 1 122 122 PHE CA C 122 58.100 58.100 59.016 -0.916 18989 9353 1 13 . 1 1 122 122 PHE CB C 122 40.000 40.000 40.402 -0.402 18989 9354 1 13 . 1 1 123 123 GLY N N 123 112.200 112.200 106.966 5.234 18989 9355 1 13 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.053 1.247 18989 9356 1 13 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.451 0.129 18989 9357 1 13 . 1 1 124 124 ASP C C 124 177.700 177.700 177.900 -0.200 18989 9358 1 13 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.395 0.405 18989 9359 1 13 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.618 -0.518 18989 9360 1 13 . 1 1 125 125 LYS N N 125 118.400 118.400 119.586 -1.186 18989 9361 1 13 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.025 0.645 18989 9362 1 13 . 1 1 125 125 LYS C C 125 177.100 177.100 178.813 -1.713 18989 9363 1 13 . 1 1 125 125 LYS CA C 125 56.000 56.000 58.733 -2.733 18989 9364 1 13 . 1 1 125 125 LYS CB C 125 32.300 32.300 31.685 0.615 18989 9365 1 13 . 1 1 126 126 SER N N 126 116.600 116.600 114.445 2.155 18989 9366 1 13 . 1 1 126 126 SER HA H 126 3.830 3.830 4.319 -0.489 18989 9367 1 13 . 1 1 126 126 SER C C 126 175.700 175.700 176.506 -0.806 18989 9368 1 13 . 1 1 126 126 SER CA C 126 62.700 62.700 61.673 1.027 18989 9369 1 13 . 1 1 126 126 SER CB C 126 63.000 63.000 62.756 0.244 18989 9370 1 13 . 1 1 127 127 ILE N N 127 122.300 122.300 119.032 3.268 18989 9371 1 13 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.848 -0.038 18989 9372 1 13 . 1 1 127 127 ILE C C 127 178.500 178.500 177.528 0.972 18989 9373 1 13 . 1 1 127 127 ILE CA C 127 65.000 65.000 64.716 0.284 18989 9374 1 13 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.985 -1.185 18989 9375 1 13 . 1 1 128 128 GLU N N 128 120.500 120.500 118.292 2.208 18989 9376 1 13 . 1 1 128 128 GLU HA H 128 4.100 4.100 4.106 -0.006 18989 9377 1 13 . 1 1 128 128 GLU C C 128 179.400 179.400 178.464 0.936 18989 9378 1 13 . 1 1 128 128 GLU CA C 128 59.300 59.300 58.357 0.943 18989 9379 1 13 . 1 1 128 128 GLU CB C 128 29.700 29.700 28.975 0.725 18989 9380 1 13 . 1 1 129 129 GLU N N 129 118.800 118.800 121.109 -2.309 18989 9381 1 13 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.981 -0.071 18989 9382 1 13 . 1 1 129 129 GLU C C 129 179.900 179.900 178.279 1.621 18989 9383 1 13 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.008 0.992 18989 9384 1 13 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.112 0.088 18989 9385 1 13 . 1 1 130 130 ILE N N 130 122.700 122.700 120.695 2.005 18989 9386 1 13 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.479 0.001 18989 9387 1 13 . 1 1 130 130 ILE C C 130 177.600 177.600 177.040 0.560 18989 9388 1 13 . 1 1 130 130 ILE CA C 130 66.400 66.400 65.006 1.394 18989 9389 1 13 . 1 1 130 130 ILE CB C 130 38.300 38.300 38.035 0.265 18989 9390 1 13 . 1 1 131 131 GLU N N 131 120.100 120.100 119.624 0.476 18989 9391 1 13 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.929 0.461 18989 9392 1 13 . 1 1 131 131 GLU C C 131 178.800 178.800 178.293 0.507 18989 9393 1 13 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.510 -0.910 18989 9394 1 13 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.373 -0.473 18989 9395 1 13 . 1 1 132 132 LYS N N 132 118.300 118.300 119.771 -1.471 18989 9396 1 13 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.912 0.048 18989 9397 1 13 . 1 1 132 132 LYS C C 132 180.400 180.400 178.928 1.472 18989 9398 1 13 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.244 1.056 18989 9399 1 13 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.230 0.470 18989 9400 1 13 . 1 1 133 133 ARG N N 133 118.400 118.400 118.671 -0.271 18989 9401 1 13 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.831 0.229 18989 9402 1 13 . 1 1 133 133 ARG C C 133 178.600 178.600 178.498 0.102 18989 9403 1 13 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.802 -0.802 18989 9404 1 13 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.503 -0.103 18989 9405 1 13 . 1 1 134 134 ARG N N 134 122.500 122.500 119.574 2.926 18989 9406 1 13 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.147 -0.537 18989 9407 1 13 . 1 1 134 134 ARG C C 134 177.600 177.600 178.696 -1.096 18989 9408 1 13 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.632 -0.232 18989 9409 1 13 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.035 0.965 18989 9410 1 13 . 1 1 135 135 LEU N N 135 118.200 118.200 119.535 -1.335 18989 9411 1 13 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.975 -0.165 18989 9412 1 13 . 1 1 135 135 LEU C C 135 179.700 179.700 178.735 0.965 18989 9413 1 13 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.772 -0.071 18989 9414 1 13 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.724 -0.324 18989 9415 1 13 . 1 1 136 136 ALA N N 136 120.400 120.400 120.406 -0.006 18989 9416 1 13 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.883 0.147 18989 9417 1 13 . 1 1 136 136 ALA C C 136 180.500 180.500 179.474 1.026 18989 9418 1 13 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.819 -0.119 18989 9419 1 13 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.928 0.172 18989 9420 1 13 . 1 1 137 137 ALA N N 137 123.200 123.200 121.124 2.076 18989 9421 1 13 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.818 0.082 18989 9422 1 13 . 1 1 137 137 ALA C C 137 178.700 178.700 178.838 -0.138 18989 9423 1 13 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.514 0.786 18989 9424 1 13 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.853 -2.053 18989 9425 1 13 . 1 1 138 138 ILE N N 138 115.400 115.400 116.961 -1.561 18989 9426 1 13 . 1 1 138 138 ILE HA H 138 2.830 2.830 3.553 -0.723 18989 9427 1 13 . 1 1 138 138 ILE C C 138 177.800 177.800 177.462 0.338 18989 9428 1 13 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.291 -0.091 18989 9429 1 13 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.500 -0.100 18989 9430 1 13 . 1 1 139 139 THR N N 139 109.500 109.500 113.564 -4.064 18989 9431 1 13 . 1 1 139 139 THR HA H 139 4.150 4.150 4.203 -0.053 18989 9432 1 13 . 1 1 139 139 THR C C 139 177.300 177.300 176.486 0.814 18989 9433 1 13 . 1 1 139 139 THR CA C 139 64.000 64.000 65.759 -1.759 18989 9434 1 13 . 1 1 139 139 THR CB C 139 69.600 69.600 69.242 0.358 18989 9435 1 13 . 1 1 140 140 GLY N N 140 110.800 110.800 110.058 0.742 18989 9436 1 13 . 1 1 140 140 GLY C C 140 176.700 176.700 176.078 0.622 18989 9437 1 13 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.301 0.499 18989 9438 1 13 . 1 1 141 141 ILE N N 141 122.700 122.700 123.324 -0.624 18989 9439 1 13 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.454 -0.294 18989 9440 1 13 . 1 1 141 141 ILE CA C 141 68.300 68.300 66.111 2.189 18989 9441 1 13 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.232 0.068 18989 9442 1 13 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.379 -0.029 18989 9443 1 13 . 1 1 142 142 PRO C C 142 179.300 179.300 179.047 0.253 18989 9444 1 13 . 1 1 142 142 PRO CA C 142 66.700 66.700 66.166 0.534 18989 9445 1 13 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.034 0.166 18989 9446 1 13 . 1 1 143 143 GLU N N 143 113.900 113.900 119.068 -5.168 18989 9447 1 13 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.113 0.057 18989 9448 1 13 . 1 1 143 143 GLU C C 143 179.600 179.600 178.804 0.796 18989 9449 1 13 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.230 0.070 18989 9450 1 13 . 1 1 143 143 GLU CB C 143 30.000 30.000 28.975 1.025 18989 9451 1 13 . 1 1 144 144 THR N N 144 119.900 119.900 117.741 2.159 18989 9452 1 13 . 1 1 144 144 THR HA H 144 4.290 4.290 4.112 0.178 18989 9453 1 13 . 1 1 144 144 THR C C 144 175.800 175.800 176.868 -1.068 18989 9454 1 13 . 1 1 144 144 THR CA C 144 67.000 67.000 66.893 0.107 18989 9455 1 13 . 1 1 144 144 THR CB C 144 69.500 69.500 68.652 0.848 18989 9456 1 13 . 1 1 145 145 LEU N N 145 120.300 120.300 121.297 -0.997 18989 9457 1 13 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.052 -0.142 18989 9458 1 13 . 1 1 145 145 LEU C C 145 178.700 178.700 178.550 0.150 18989 9459 1 13 . 1 1 145 145 LEU CA C 145 58.600 58.600 58.318 0.282 18989 9460 1 13 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.719 -0.219 18989 9461 1 13 . 1 1 146 146 VAL N N 146 117.600 117.600 118.020 -0.420 18989 9462 1 13 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.714 -0.034 18989 9463 1 13 . 1 1 146 146 VAL C C 146 177.700 177.700 178.159 -0.459 18989 9464 1 13 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.047 0.053 18989 9465 1 13 . 1 1 146 146 VAL CB C 146 32.000 32.000 30.537 1.463 18989 9466 1 13 . 1 1 147 147 ALA N N 147 123.600 123.600 123.747 -0.147 18989 9467 1 13 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.027 0.203 18989 9468 1 13 . 1 1 147 147 ALA C C 147 180.400 180.400 179.800 0.600 18989 9469 1 13 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.379 0.221 18989 9470 1 13 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.318 0.482 18989 9471 1 13 . 1 1 148 148 ILE N N 148 119.600 119.600 119.400 0.200 18989 9472 1 13 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.611 -0.301 18989 9473 1 13 . 1 1 148 148 ILE C C 148 177.100 177.100 178.077 -0.977 18989 9474 1 13 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.380 0.920 18989 9475 1 13 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.708 0.492 18989 9476 1 13 . 1 1 149 149 GLN N N 149 119.200 119.200 119.093 0.107 18989 9477 1 13 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.929 -0.259 18989 9478 1 13 . 1 1 149 149 GLN C C 149 178.000 178.000 178.227 -0.227 18989 9479 1 13 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.436 0.664 18989 9480 1 13 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.731 0.869 18989 9481 1 13 . 1 1 150 150 ARG N N 150 120.500 120.500 119.869 0.631 18989 9482 1 13 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.250 -0.200 18989 9483 1 13 . 1 1 150 150 ARG C C 150 179.000 179.000 178.916 0.084 18989 9484 1 13 . 1 1 150 150 ARG CA C 150 59.300 59.300 58.809 0.491 18989 9485 1 13 . 1 1 150 150 ARG CB C 150 30.000 30.000 29.783 0.217 18989 9486 1 13 . 1 1 151 151 ILE N N 151 119.100 119.100 120.040 -0.940 18989 9487 1 13 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.824 -0.174 18989 9488 1 13 . 1 1 151 151 ILE C C 151 178.500 178.500 177.022 1.478 18989 9489 1 13 . 1 1 151 151 ILE CA C 151 65.300 65.300 62.952 2.348 18989 9490 1 13 . 1 1 151 151 ILE CB C 151 39.000 39.000 38.006 0.994 18989 9491 1 13 . 1 1 152 152 LEU N N 152 117.100 117.100 119.793 -2.693 18989 9492 1 13 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.953 0.127 18989 9493 1 13 . 1 1 152 152 LEU C C 152 178.700 178.700 179.165 -0.465 18989 9494 1 13 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.675 -0.675 18989 9495 1 13 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.357 1.543 18989 9496 1 13 . 1 1 153 153 GLU N N 153 117.800 117.800 120.163 -2.363 18989 9497 1 13 . 1 1 153 153 GLU HA H 153 4.170 4.170 4.050 0.120 18989 9498 1 13 . 1 1 153 153 GLU C C 153 178.300 178.300 179.177 -0.877 18989 9499 1 13 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.548 -0.848 18989 9500 1 13 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.571 -0.271 18989 9501 1 13 . 1 1 154 154 VAL N N 154 119.500 119.500 119.726 -0.226 18989 9502 1 13 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.953 0.047 18989 9503 1 13 . 1 1 154 154 VAL C C 154 177.500 177.500 178.536 -1.036 18989 9504 1 13 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.049 -1.349 18989 9505 1 13 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.863 0.337 18989 9506 1 13 . 1 1 155 155 GLU N N 155 121.300 121.300 119.886 1.414 18989 9507 1 13 . 1 1 155 155 GLU HA H 155 4.180 4.180 3.965 0.215 18989 9508 1 13 . 1 1 155 155 GLU C C 155 177.600 177.600 178.093 -0.493 18989 9509 1 13 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.852 -0.852 18989 9510 1 13 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.407 0.294 18989 9511 1 13 . 1 1 156 156 LEU N N 156 120.800 120.800 117.907 2.893 18989 9512 1 13 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.044 0.186 18989 9513 1 13 . 1 1 156 156 LEU C C 156 178.000 178.000 178.791 -0.791 18989 9514 1 13 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.264 -1.064 18989 9515 1 13 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.033 0.267 18989 9516 1 13 . 1 1 157 157 GLU N N 157 119.700 119.700 115.822 3.878 18989 9517 1 13 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.011 0.119 18989 9518 1 13 . 1 1 157 157 GLU C C 157 177.000 177.000 177.389 -0.389 18989 9519 1 13 . 1 1 157 157 GLU CA C 157 57.400 57.400 58.102 -0.702 18989 9520 1 13 . 1 1 157 157 GLU CB C 157 29.800 29.800 29.996 -0.196 18989 9521 1 13 . 1 1 158 158 HIS N N 158 117.700 117.700 117.175 0.525 18989 9522 1 13 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.753 -0.123 18989 9523 1 13 . 1 1 158 158 HIS C C 158 173.900 173.900 173.826 0.074 18989 9524 1 13 . 1 1 158 158 HIS CA C 158 56.000 56.000 53.948 2.052 18989 9525 1 13 . 1 1 158 158 HIS CB C 158 30.000 30.000 29.166 0.834 18989 9526 1 13 . 1 1 159 159 HIS N N 159 125.200 125.200 125.540 -0.340 18989 9527 1 13 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.350 0.090 18989 9528 1 13 . 1 1 159 159 HIS CA C 159 57.300 57.300 57.019 0.281 18989 9529 1 13 . 1 1 159 159 HIS CB C 159 28.800 28.800 29.152 -0.352 18989 9530 1 14 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.434 -0.034 18989 9531 1 14 . 1 1 2 2 PRO CA C 2 62.400 62.400 62.403 -0.003 18989 9532 1 14 . 1 1 2 2 PRO CB C 2 32.800 32.800 30.425 2.375 18989 9533 1 14 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.145 0.335 18989 9534 1 14 . 1 1 3 3 LYS C C 3 176.600 176.600 176.698 -0.098 18989 9535 1 14 . 1 1 3 3 LYS CA C 3 55.900 55.900 56.128 -0.228 18989 9536 1 14 . 1 1 3 3 LYS CB C 3 34.200 34.200 32.536 1.664 18989 9537 1 14 . 1 1 4 4 SER N N 4 117.800 117.800 120.020 -2.220 18989 9538 1 14 . 1 1 4 4 SER HA H 4 4.220 4.220 4.000 0.220 18989 9539 1 14 . 1 1 4 4 SER C C 4 174.100 174.100 173.544 0.556 18989 9540 1 14 . 1 1 4 4 SER CA C 4 59.700 59.700 61.049 -1.349 18989 9541 1 14 . 1 1 4 4 SER CB C 4 63.700 63.700 62.076 1.624 18989 9542 1 14 . 1 1 5 5 LEU N N 5 124.700 124.700 118.619 6.081 18989 9543 1 14 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.531 0.269 18989 9544 1 14 . 1 1 5 5 LEU C C 5 175.500 175.500 174.968 0.532 18989 9545 1 14 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.145 -0.145 18989 9546 1 14 . 1 1 5 5 LEU CB C 5 43.200 43.200 43.644 -0.444 18989 9547 1 14 . 1 1 6 6 THR N N 6 111.200 111.200 117.126 -5.926 18989 9548 1 14 . 1 1 6 6 THR HA H 6 5.620 5.620 4.663 0.957 18989 9549 1 14 . 1 1 6 6 THR C C 6 174.500 174.500 172.761 1.739 18989 9550 1 14 . 1 1 6 6 THR CA C 6 59.700 59.700 61.765 -2.065 18989 9551 1 14 . 1 1 6 6 THR CB C 6 73.000 73.000 69.777 3.223 18989 9552 1 14 . 1 1 7 7 PHE N N 7 120.700 120.700 125.464 -4.764 18989 9553 1 14 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.861 -0.111 18989 9554 1 14 . 1 1 7 7 PHE C C 7 172.100 172.100 173.761 -1.661 18989 9555 1 14 . 1 1 7 7 PHE CA C 7 59.300 59.300 56.528 2.772 18989 9556 1 14 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.406 0.094 18989 9557 1 14 . 1 1 8 8 GLU N N 8 122.100 122.100 120.596 1.504 18989 9558 1 14 . 1 1 8 8 GLU HA H 8 5.380 5.380 5.193 0.187 18989 9559 1 14 . 1 1 8 8 GLU C C 8 172.500 172.500 174.703 -2.203 18989 9560 1 14 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.316 0.184 18989 9561 1 14 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.630 -0.130 18989 9562 1 14 . 1 1 9 9 ASP N N 9 117.400 117.400 119.365 -1.965 18989 9563 1 14 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.884 -0.064 18989 9564 1 14 . 1 1 9 9 ASP C C 9 173.500 173.500 173.870 -0.370 18989 9565 1 14 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.645 -0.545 18989 9566 1 14 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.056 1.044 18989 9567 1 14 . 1 1 10 10 SER N N 10 113.600 113.600 117.924 -4.324 18989 9568 1 14 . 1 1 10 10 SER HA H 10 5.990 5.990 5.681 0.309 18989 9569 1 14 . 1 1 10 10 SER C C 10 172.600 172.600 172.929 -0.329 18989 9570 1 14 . 1 1 10 10 SER CA C 10 57.300 57.300 56.895 0.405 18989 9571 1 14 . 1 1 10 10 SER CB C 10 68.100 68.100 65.678 2.422 18989 9572 1 14 . 1 1 11 11 ILE N N 11 122.700 122.700 125.250 -2.550 18989 9573 1 14 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.419 0.101 18989 9574 1 14 . 1 1 11 11 ILE C C 11 171.300 171.300 173.361 -2.061 18989 9575 1 14 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.851 0.149 18989 9576 1 14 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.024 1.376 18989 9577 1 14 . 1 1 12 12 ASN N N 12 124.600 124.600 126.239 -1.639 18989 9578 1 14 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.767 0.513 18989 9579 1 14 . 1 1 12 12 ASN C C 12 174.700 174.700 174.620 0.080 18989 9580 1 14 . 1 1 12 12 ASN CA C 12 52.300 52.300 53.127 -0.827 18989 9581 1 14 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.715 -0.115 18989 9582 1 14 . 1 1 13 13 ILE N N 13 122.900 122.900 124.603 -1.703 18989 9583 1 14 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.318 0.132 18989 9584 1 14 . 1 1 13 13 ILE C C 13 175.300 175.300 175.497 -0.197 18989 9585 1 14 . 1 1 13 13 ILE CA C 13 60.300 60.300 60.249 0.050 18989 9586 1 14 . 1 1 13 13 ILE CB C 13 41.600 41.600 40.233 1.367 18989 9587 1 14 . 1 1 14 14 ALA N N 14 136.600 136.600 129.324 7.276 18989 9588 1 14 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.509 0.191 18989 9589 1 14 . 1 1 14 14 ALA C C 14 175.100 175.100 176.407 -1.307 18989 9590 1 14 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.055 -0.055 18989 9591 1 14 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.621 -1.321 18989 9592 1 14 . 1 1 15 15 ALA N N 15 122.100 122.100 123.041 -0.941 18989 9593 1 14 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.768 -0.008 18989 9594 1 14 . 1 1 15 15 ALA CA C 15 50.000 50.000 49.477 0.523 18989 9595 1 14 . 1 1 15 15 ALA CB C 15 21.100 21.100 20.221 0.879 18989 9596 1 14 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.599 0.011 18989 9597 1 14 . 1 1 16 16 PRO C C 16 179.200 179.200 177.231 1.969 18989 9598 1 14 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.752 -0.652 18989 9599 1 14 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.826 0.274 18989 9600 1 14 . 1 1 17 17 ILE N N 17 124.400 124.400 123.857 0.543 18989 9601 1 14 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.739 0.251 18989 9602 1 14 . 1 1 17 17 ILE C C 17 175.800 175.800 176.736 -0.936 18989 9603 1 14 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.281 1.419 18989 9604 1 14 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.115 0.585 18989 9605 1 14 . 1 1 18 18 ASN N N 18 117.200 117.200 117.745 -0.545 18989 9606 1 14 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.349 0.341 18989 9607 1 14 . 1 1 18 18 ASN C C 18 178.700 178.700 177.312 1.388 18989 9608 1 14 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.304 -0.504 18989 9609 1 14 . 1 1 18 18 ASN CB C 18 37.100 37.100 37.921 -0.821 18989 9610 1 14 . 1 1 19 19 GLN N N 19 120.300 120.300 117.831 2.469 18989 9611 1 14 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.329 -0.209 18989 9612 1 14 . 1 1 19 19 GLN C C 19 178.500 178.500 178.078 0.422 18989 9613 1 14 . 1 1 19 19 GLN CA C 19 58.300 58.300 57.998 0.302 18989 9614 1 14 . 1 1 19 19 GLN CB C 19 28.300 28.300 29.088 -0.788 18989 9615 1 14 . 1 1 20 20 VAL N N 20 120.300 120.300 122.299 -1.999 18989 9616 1 14 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.648 -0.198 18989 9617 1 14 . 1 1 20 20 VAL C C 20 177.500 177.500 177.958 -0.458 18989 9618 1 14 . 1 1 20 20 VAL CA C 20 66.200 66.200 67.233 -1.033 18989 9619 1 14 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.571 -0.671 18989 9620 1 14 . 1 1 21 21 TYR N N 21 118.800 118.800 120.695 -1.895 18989 9621 1 14 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.025 -0.445 18989 9622 1 14 . 1 1 21 21 TYR C C 21 177.800 177.800 177.503 0.297 18989 9623 1 14 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.787 1.113 18989 9624 1 14 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.110 0.290 18989 9625 1 14 . 1 1 22 22 ALA N N 22 120.400 120.400 120.752 -0.352 18989 9626 1 14 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.969 -0.209 18989 9627 1 14 . 1 1 22 22 ALA C C 22 178.000 178.000 178.673 -0.673 18989 9628 1 14 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.611 0.089 18989 9629 1 14 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.517 -0.017 18989 9630 1 14 . 1 1 23 23 LEU N N 23 116.400 116.400 116.786 -0.386 18989 9631 1 14 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.165 0.065 18989 9632 1 14 . 1 1 23 23 LEU C C 23 177.200 177.200 178.473 -1.273 18989 9633 1 14 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.172 1.828 18989 9634 1 14 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.128 1.272 18989 9635 1 14 . 1 1 24 24 VAL N N 24 128.600 128.600 118.587 10.013 18989 9636 1 14 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.731 -0.371 18989 9637 1 14 . 1 1 24 24 VAL C C 24 175.200 175.200 176.560 -1.360 18989 9638 1 14 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.672 -0.372 18989 9639 1 14 . 1 1 24 24 VAL CB C 24 30.800 30.800 32.367 -1.567 18989 9640 1 14 . 1 1 25 25 SER N N 25 108.500 108.500 117.717 -9.217 18989 9641 1 14 . 1 1 25 25 SER HA H 25 2.520 2.520 4.134 -1.614 18989 9642 1 14 . 1 1 25 25 SER CA C 25 58.200 58.200 58.045 0.155 18989 9643 1 14 . 1 1 25 25 SER CB C 25 63.600 63.600 62.285 1.315 18989 9644 1 14 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.639 0.271 18989 9645 1 14 . 1 1 26 26 ASP C C 26 175.500 175.500 176.995 -1.495 18989 9646 1 14 . 1 1 26 26 ASP CA C 26 51.200 51.200 52.483 -1.283 18989 9647 1 14 . 1 1 26 26 ASP CB C 26 38.100 38.100 41.001 -2.901 18989 9648 1 14 . 1 1 27 27 ILE N N 27 123.500 123.500 120.566 2.934 18989 9649 1 14 . 1 1 27 27 ILE HA H 27 3.390 3.390 3.924 -0.534 18989 9650 1 14 . 1 1 27 27 ILE C C 27 178.900 178.900 176.601 2.299 18989 9651 1 14 . 1 1 27 27 ILE CA C 27 61.700 61.700 63.014 -1.314 18989 9652 1 14 . 1 1 27 27 ILE CB C 27 36.600 36.600 37.794 -1.194 18989 9653 1 14 . 1 1 28 28 THR N N 28 112.500 112.500 108.132 4.368 18989 9654 1 14 . 1 1 28 28 THR HA H 28 4.350 4.350 4.163 0.187 18989 9655 1 14 . 1 1 28 28 THR C C 28 176.500 176.500 173.737 2.763 18989 9656 1 14 . 1 1 28 28 THR CA C 28 64.000 64.000 62.235 1.765 18989 9657 1 14 . 1 1 28 28 THR CB C 28 68.600 68.600 68.468 0.132 18989 9658 1 14 . 1 1 29 29 ARG N N 29 121.100 121.100 120.470 0.630 18989 9659 1 14 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.152 0.128 18989 9660 1 14 . 1 1 29 29 ARG CA C 29 56.200 56.200 58.172 -1.972 18989 9661 1 14 . 1 1 29 29 ARG CB C 29 30.600 30.600 30.776 -0.175 18989 9662 1 14 . 1 1 30 30 THR HA H 30 5.870 5.870 4.627 1.243 18989 9663 1 14 . 1 1 30 30 THR C C 30 174.000 174.000 173.773 0.227 18989 9664 1 14 . 1 1 30 30 THR CA C 30 66.000 66.000 61.695 4.305 18989 9665 1 14 . 1 1 30 30 THR CB C 30 69.400 69.400 69.621 -0.221 18989 9666 1 14 . 1 1 31 31 GLY N N 31 106.200 106.200 114.847 -8.647 18989 9667 1 14 . 1 1 31 31 GLY C C 31 175.200 175.200 173.897 1.303 18989 9668 1 14 . 1 1 31 31 GLY CA C 31 46.200 46.200 45.135 1.065 18989 9669 1 14 . 1 1 32 32 GLU N N 32 118.400 118.400 122.180 -3.780 18989 9670 1 14 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.154 -0.184 18989 9671 1 14 . 1 1 32 32 GLU C C 32 177.500 177.500 176.491 1.009 18989 9672 1 14 . 1 1 32 32 GLU CA C 32 58.800 58.800 56.913 1.887 18989 9673 1 14 . 1 1 32 32 GLU CB C 32 29.800 29.800 29.021 0.779 18989 9674 1 14 . 1 1 33 33 TRP N N 33 113.200 113.200 123.108 -9.908 18989 9675 1 14 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.272 0.668 18989 9676 1 14 . 1 1 33 33 TRP C C 33 175.300 175.300 176.431 -1.131 18989 9677 1 14 . 1 1 33 33 TRP CA C 33 56.400 56.400 57.643 -1.243 18989 9678 1 14 . 1 1 33 33 TRP CB C 33 30.600 30.600 27.872 2.728 18989 9679 1 14 . 1 1 34 34 SER N N 34 118.600 118.600 114.439 4.161 18989 9680 1 14 . 1 1 34 34 SER HA H 34 4.930 4.930 4.803 0.127 18989 9681 1 14 . 1 1 34 34 SER CA C 34 54.700 54.700 56.244 -1.544 18989 9682 1 14 . 1 1 34 34 SER CB C 34 63.000 63.000 63.944 -0.944 18989 9683 1 14 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.671 -0.211 18989 9684 1 14 . 1 1 35 35 PRO C C 35 177.100 177.100 176.798 0.302 18989 9685 1 14 . 1 1 35 35 PRO CA C 35 64.500 64.500 62.617 1.883 18989 9686 1 14 . 1 1 35 35 PRO CB C 35 32.300 32.300 30.958 1.342 18989 9687 1 14 . 1 1 36 36 VAL N N 36 113.900 113.900 114.258 -0.358 18989 9688 1 14 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.296 -0.196 18989 9689 1 14 . 1 1 36 36 VAL C C 36 174.200 174.200 175.620 -1.420 18989 9690 1 14 . 1 1 36 36 VAL CA C 36 62.900 62.900 63.546 -0.646 18989 9691 1 14 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.515 0.985 18989 9692 1 14 . 1 1 37 37 CYS N N 37 121.000 121.000 120.205 0.795 18989 9693 1 14 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.412 0.048 18989 9694 1 14 . 1 1 37 37 CYS C C 37 173.600 173.600 174.329 -0.729 18989 9695 1 14 . 1 1 37 37 CYS CA C 37 58.500 58.500 59.052 -0.552 18989 9696 1 14 . 1 1 37 37 CYS CB C 37 27.000 27.000 26.796 0.204 18989 9697 1 14 . 1 1 38 38 GLU N N 38 129.300 129.300 125.914 3.386 18989 9698 1 14 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.094 0.046 18989 9699 1 14 . 1 1 38 38 GLU C C 38 176.500 176.500 176.235 0.265 18989 9700 1 14 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.078 -0.178 18989 9701 1 14 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.357 1.443 18989 9702 1 14 . 1 1 39 39 LYS N N 39 117.100 117.100 119.265 -2.165 18989 9703 1 14 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.420 0.050 18989 9704 1 14 . 1 1 39 39 LYS C C 39 173.600 173.600 174.170 -0.570 18989 9705 1 14 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.455 0.345 18989 9706 1 14 . 1 1 39 39 LYS CB C 39 36.500 36.500 34.617 1.883 18989 9707 1 14 . 1 1 40 40 CYS N N 40 125.100 125.100 122.558 2.542 18989 9708 1 14 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.491 -0.081 18989 9709 1 14 . 1 1 40 40 CYS C C 40 173.000 173.000 174.340 -1.340 18989 9710 1 14 . 1 1 40 40 CYS CA C 40 57.100 57.100 56.692 0.408 18989 9711 1 14 . 1 1 40 40 CYS CB C 40 30.100 30.100 30.254 -0.154 18989 9712 1 14 . 1 1 41 41 TRP N N 41 124.300 124.300 127.104 -2.804 18989 9713 1 14 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.970 -0.140 18989 9714 1 14 . 1 1 41 41 TRP C C 41 174.100 174.100 175.170 -1.070 18989 9715 1 14 . 1 1 41 41 TRP CA C 41 56.300 56.300 55.934 0.366 18989 9716 1 14 . 1 1 41 41 TRP CB C 41 32.400 32.400 30.578 1.822 18989 9717 1 14 . 1 1 42 42 TRP N N 42 123.700 123.700 123.225 0.475 18989 9718 1 14 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.309 0.521 18989 9719 1 14 . 1 1 42 42 TRP C C 42 178.200 178.200 175.600 2.600 18989 9720 1 14 . 1 1 42 42 TRP CA C 42 57.000 57.000 53.153 3.847 18989 9721 1 14 . 1 1 42 42 TRP CB C 42 31.600 31.600 29.324 2.276 18989 9722 1 14 . 1 1 43 43 ASP N N 43 124.400 124.400 126.434 -2.034 18989 9723 1 14 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.352 0.328 18989 9724 1 14 . 1 1 43 43 ASP C C 43 176.300 176.300 177.369 -1.069 18989 9725 1 14 . 1 1 43 43 ASP CA C 43 56.300 56.300 57.221 -0.921 18989 9726 1 14 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.961 -0.661 18989 9727 1 14 . 1 1 44 44 GLU N N 44 119.400 119.400 119.272 0.128 18989 9728 1 14 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.198 0.072 18989 9729 1 14 . 1 1 44 44 GLU C C 44 176.500 176.500 177.242 -0.742 18989 9730 1 14 . 1 1 44 44 GLU CA C 44 57.600 57.600 59.336 -1.736 18989 9731 1 14 . 1 1 44 44 GLU CB C 44 30.200 30.200 30.141 0.059 18989 9732 1 14 . 1 1 45 45 ASP N N 45 118.300 118.300 118.045 0.255 18989 9733 1 14 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.190 0.290 18989 9734 1 14 . 1 1 45 45 ASP C C 45 175.900 175.900 177.868 -1.968 18989 9735 1 14 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.227 -0.227 18989 9736 1 14 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.074 0.126 18989 9737 1 14 . 1 1 46 46 GLU N N 46 118.200 118.200 117.488 0.712 18989 9738 1 14 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.180 0.280 18989 9739 1 14 . 1 1 46 46 GLU C C 46 175.200 175.200 176.980 -1.780 18989 9740 1 14 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.614 -0.014 18989 9741 1 14 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.346 0.454 18989 9742 1 14 . 1 1 47 47 GLY N N 47 106.400 106.400 108.404 -2.004 18989 9743 1 14 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.465 -0.865 18989 9744 1 14 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.776 -0.186 18989 9745 1 14 . 1 1 48 48 PRO C C 48 173.400 173.400 176.061 -2.661 18989 9746 1 14 . 1 1 48 48 PRO CA C 48 63.100 63.100 63.473 -0.373 18989 9747 1 14 . 1 1 48 48 PRO CB C 48 29.100 29.100 31.060 -1.960 18989 9748 1 14 . 1 1 49 49 VAL N N 49 121.900 121.900 117.309 4.591 18989 9749 1 14 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.668 -0.058 18989 9750 1 14 . 1 1 49 49 VAL C C 49 175.100 175.100 174.999 0.101 18989 9751 1 14 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.835 0.465 18989 9752 1 14 . 1 1 49 49 VAL CB C 49 35.500 35.500 35.307 0.193 18989 9753 1 14 . 1 1 50 50 VAL N N 50 121.700 121.700 123.619 -1.919 18989 9754 1 14 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.782 -0.482 18989 9755 1 14 . 1 1 50 50 VAL C C 50 177.400 177.400 177.036 0.364 18989 9756 1 14 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.989 2.211 18989 9757 1 14 . 1 1 50 50 VAL CB C 50 31.300 31.300 30.966 0.334 18989 9758 1 14 . 1 1 51 51 GLY N N 51 115.800 115.800 116.220 -0.420 18989 9759 1 14 . 1 1 51 51 GLY C C 51 174.200 174.200 173.939 0.261 18989 9760 1 14 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.461 0.140 18989 9761 1 14 . 1 1 52 52 ALA N N 52 123.000 123.000 124.321 -1.321 18989 9762 1 14 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.061 0.489 18989 9763 1 14 . 1 1 52 52 ALA C C 52 177.300 177.300 175.734 1.566 18989 9764 1 14 . 1 1 52 52 ALA CA C 52 52.800 52.800 52.138 0.662 18989 9765 1 14 . 1 1 52 52 ALA CB C 52 23.100 23.100 19.999 3.101 18989 9766 1 14 . 1 1 53 53 HIS N N 53 115.900 115.900 121.646 -5.746 18989 9767 1 14 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.024 0.996 18989 9768 1 14 . 1 1 53 53 HIS C C 53 174.200 174.200 174.375 -0.175 18989 9769 1 14 . 1 1 53 53 HIS CA C 53 55.200 55.200 55.169 0.031 18989 9770 1 14 . 1 1 53 53 HIS CB C 53 32.100 32.100 30.779 1.321 18989 9771 1 14 . 1 1 54 54 PHE N N 54 115.800 115.800 123.966 -8.166 18989 9772 1 14 . 1 1 54 54 PHE HA H 54 5.150 5.150 5.599 -0.449 18989 9773 1 14 . 1 1 54 54 PHE C C 54 172.600 172.600 175.463 -2.863 18989 9774 1 14 . 1 1 54 54 PHE CA C 54 55.500 55.500 55.955 -0.455 18989 9775 1 14 . 1 1 54 54 PHE CB C 54 41.700 41.700 40.523 1.177 18989 9776 1 14 . 1 1 55 55 THR N N 55 118.300 118.300 116.582 1.718 18989 9777 1 14 . 1 1 55 55 THR HA H 55 4.770 4.770 4.966 -0.196 18989 9778 1 14 . 1 1 55 55 THR C C 55 171.800 171.800 174.666 -2.866 18989 9779 1 14 . 1 1 55 55 THR CA C 55 61.000 61.000 60.673 0.327 18989 9780 1 14 . 1 1 55 55 THR CB C 55 70.200 70.200 69.564 0.636 18989 9781 1 14 . 1 1 56 56 GLY N N 56 110.500 110.500 113.189 -2.689 18989 9782 1 14 . 1 1 56 56 GLY C C 56 171.100 171.100 173.103 -2.003 18989 9783 1 14 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.129 0.171 18989 9784 1 14 . 1 1 57 57 ARG N N 57 123.800 123.800 127.377 -3.577 18989 9785 1 14 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.536 0.124 18989 9786 1 14 . 1 1 57 57 ARG C C 57 172.900 172.900 174.768 -1.868 18989 9787 1 14 . 1 1 57 57 ARG CA C 57 55.300 55.300 54.084 1.216 18989 9788 1 14 . 1 1 57 57 ARG CB C 57 32.500 32.500 30.870 1.630 18989 9789 1 14 . 1 1 58 58 ASN N N 58 127.200 127.200 125.156 2.044 18989 9790 1 14 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.678 -0.618 18989 9791 1 14 . 1 1 58 58 ASN C C 58 173.100 173.100 173.479 -0.379 18989 9792 1 14 . 1 1 58 58 ASN CA C 58 51.900 51.900 52.481 -0.581 18989 9793 1 14 . 1 1 58 58 ASN CB C 58 38.800 38.800 42.040 -3.240 18989 9794 1 14 . 1 1 59 59 VAL N N 59 121.400 121.400 122.690 -1.290 18989 9795 1 14 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.563 0.117 18989 9796 1 14 . 1 1 59 59 VAL C C 59 175.100 175.100 174.340 0.760 18989 9797 1 14 . 1 1 59 59 VAL CA C 59 62.400 62.400 59.925 2.475 18989 9798 1 14 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.790 1.010 18989 9799 1 14 . 1 1 60 60 THR N N 60 118.000 118.000 121.916 -3.916 18989 9800 1 14 . 1 1 60 60 THR HA H 60 5.000 5.000 5.034 -0.034 18989 9801 1 14 . 1 1 60 60 THR CA C 60 58.900 58.900 59.107 -0.207 18989 9802 1 14 . 1 1 60 60 THR CB C 60 70.200 70.200 69.541 0.659 18989 9803 1 14 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.369 -0.089 18989 9804 1 14 . 1 1 61 61 PRO C C 61 177.700 177.700 177.087 0.613 18989 9805 1 14 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.378 1.122 18989 9806 1 14 . 1 1 61 61 PRO CB C 61 31.800 31.800 32.057 -0.257 18989 9807 1 14 . 1 1 62 62 GLU N N 62 111.700 111.700 117.797 -6.097 18989 9808 1 14 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.335 -0.055 18989 9809 1 14 . 1 1 62 62 GLU C C 62 176.500 176.500 176.969 -0.469 18989 9810 1 14 . 1 1 62 62 GLU CA C 62 57.600 57.600 57.258 0.342 18989 9811 1 14 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.081 0.919 18989 9812 1 14 . 1 1 63 63 ARG N N 63 118.000 118.000 117.402 0.598 18989 9813 1 14 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.803 -0.113 18989 9814 1 14 . 1 1 63 63 ARG C C 63 174.000 174.000 174.278 -0.278 18989 9815 1 14 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.370 1.330 18989 9816 1 14 . 1 1 63 63 ARG CB C 63 33.700 33.700 34.794 -1.093 18989 9817 1 14 . 1 1 64 64 THR N N 64 120.700 120.700 116.155 4.545 18989 9818 1 14 . 1 1 64 64 THR HA H 64 5.780 5.780 5.169 0.611 18989 9819 1 14 . 1 1 64 64 THR C C 64 174.000 174.000 172.901 1.099 18989 9820 1 14 . 1 1 64 64 THR CA C 64 61.600 61.600 60.712 0.888 18989 9821 1 14 . 1 1 64 64 THR CB C 64 71.700 71.700 70.714 0.986 18989 9822 1 14 . 1 1 65 65 TRP N N 65 128.000 128.000 127.687 0.313 18989 9823 1 14 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.853 0.317 18989 9824 1 14 . 1 1 65 65 TRP C C 65 172.800 172.800 174.110 -1.310 18989 9825 1 14 . 1 1 65 65 TRP CA C 65 57.300 57.300 57.220 0.080 18989 9826 1 14 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.237 -0.337 18989 9827 1 14 . 1 1 66 66 GLU N N 66 120.800 120.800 119.544 1.256 18989 9828 1 14 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.857 0.733 18989 9829 1 14 . 1 1 66 66 GLU C C 66 177.300 177.300 175.230 2.070 18989 9830 1 14 . 1 1 66 66 GLU CA C 66 54.200 54.200 54.517 -0.317 18989 9831 1 14 . 1 1 66 66 GLU CB C 66 32.700 32.700 31.517 1.183 18989 9832 1 14 . 1 1 67 67 THR N N 67 113.700 113.700 111.557 2.143 18989 9833 1 14 . 1 1 67 67 THR HA H 67 4.750 4.750 4.690 0.060 18989 9834 1 14 . 1 1 67 67 THR C C 67 173.300 173.300 174.245 -0.945 18989 9835 1 14 . 1 1 67 67 THR CA C 67 59.500 59.500 60.775 -1.275 18989 9836 1 14 . 1 1 67 67 THR CB C 67 71.500 71.500 70.576 0.924 18989 9837 1 14 . 1 1 68 68 ARG N N 68 125.300 125.300 126.533 -1.233 18989 9838 1 14 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.999 -0.139 18989 9839 1 14 . 1 1 68 68 ARG C C 68 175.700 175.700 174.910 0.790 18989 9840 1 14 . 1 1 68 68 ARG CA C 68 55.000 55.000 54.319 0.681 18989 9841 1 14 . 1 1 68 68 ARG CB C 68 31.700 31.700 31.128 0.572 18989 9842 1 14 . 1 1 69 69 SER N N 69 122.000 122.000 118.484 3.516 18989 9843 1 14 . 1 1 69 69 SER HA H 69 5.570 5.570 5.226 0.344 18989 9844 1 14 . 1 1 69 69 SER C C 69 172.200 172.200 172.712 -0.512 18989 9845 1 14 . 1 1 69 69 SER CA C 69 58.000 58.000 58.154 -0.154 18989 9846 1 14 . 1 1 69 69 SER CB C 69 66.700 66.700 66.689 0.011 18989 9847 1 14 . 1 1 70 70 GLU N N 70 121.900 121.900 127.002 -5.102 18989 9848 1 14 . 1 1 70 70 GLU HA H 70 5.200 5.200 5.037 0.163 18989 9849 1 14 . 1 1 70 70 GLU C C 70 176.000 176.000 176.087 -0.087 18989 9850 1 14 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.364 -0.764 18989 9851 1 14 . 1 1 70 70 GLU CB C 70 34.700 34.700 32.442 2.258 18989 9852 1 14 . 1 1 71 71 VAL N N 71 126.600 126.600 127.909 -1.309 18989 9853 1 14 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.125 0.125 18989 9854 1 14 . 1 1 71 71 VAL C C 71 177.600 177.600 176.505 1.095 18989 9855 1 14 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.537 1.263 18989 9856 1 14 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.224 0.976 18989 9857 1 14 . 1 1 72 72 ILE N N 72 123.200 123.200 126.098 -2.898 18989 9858 1 14 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.290 0.440 18989 9859 1 14 . 1 1 72 72 ILE C C 72 175.200 175.200 175.852 -0.652 18989 9860 1 14 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.637 -0.637 18989 9861 1 14 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.800 0.800 18989 9862 1 14 . 1 1 73 73 VAL N N 73 121.700 121.700 119.144 2.556 18989 9863 1 14 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.342 -0.142 18989 9864 1 14 . 1 1 73 73 VAL C C 73 172.000 172.000 173.342 -1.342 18989 9865 1 14 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.023 1.077 18989 9866 1 14 . 1 1 73 73 VAL CB C 73 34.700 34.700 34.656 0.045 18989 9867 1 14 . 1 1 74 74 ALA N N 74 131.100 131.100 130.573 0.527 18989 9868 1 14 . 1 1 74 74 ALA HA H 74 5.320 5.320 4.468 0.852 18989 9869 1 14 . 1 1 74 74 ALA C C 74 174.900 174.900 175.620 -0.720 18989 9870 1 14 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.072 1.628 18989 9871 1 14 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.287 -1.987 18989 9872 1 14 . 1 1 75 75 GLU N N 75 126.100 126.100 123.752 2.348 18989 9873 1 14 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.948 0.022 18989 9874 1 14 . 1 1 75 75 GLU CA C 75 52.100 52.100 53.535 -1.435 18989 9875 1 14 . 1 1 75 75 GLU CB C 75 31.300 31.300 31.514 -0.214 18989 9876 1 14 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.348 -1.728 18989 9877 1 14 . 1 1 76 76 PRO CA C 76 63.900 63.900 64.778 -0.877 18989 9878 1 14 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.704 0.196 18989 9879 1 14 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.665 -0.905 18989 9880 1 14 . 1 1 77 77 ASN C C 77 172.700 172.700 174.302 -1.602 18989 9881 1 14 . 1 1 77 77 ASN CA C 77 55.100 55.100 52.397 2.703 18989 9882 1 14 . 1 1 77 77 ASN CB C 77 36.900 36.900 38.848 -1.948 18989 9883 1 14 . 1 1 78 78 ARG N N 78 115.300 115.300 117.545 -2.245 18989 9884 1 14 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.994 -0.094 18989 9885 1 14 . 1 1 78 78 ARG C C 78 176.000 176.000 174.730 1.270 18989 9886 1 14 . 1 1 78 78 ARG CA C 78 58.300 58.300 56.582 1.718 18989 9887 1 14 . 1 1 78 78 ARG CB C 78 34.000 34.000 33.158 0.842 18989 9888 1 14 . 1 1 79 79 CYS N N 79 117.700 117.700 118.739 -1.039 18989 9889 1 14 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.068 0.602 18989 9890 1 14 . 1 1 79 79 CYS C C 79 172.200 172.200 172.562 -0.362 18989 9891 1 14 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.531 -0.331 18989 9892 1 14 . 1 1 79 79 CYS CB C 79 29.500 29.500 28.712 0.787 18989 9893 1 14 . 1 1 80 80 PHE N N 80 129.500 129.500 130.046 -0.546 18989 9894 1 14 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.291 0.229 18989 9895 1 14 . 1 1 80 80 PHE C C 80 173.400 173.400 173.816 -0.416 18989 9896 1 14 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.563 1.337 18989 9897 1 14 . 1 1 80 80 PHE CB C 80 43.800 43.800 42.566 1.234 18989 9898 1 14 . 1 1 81 81 GLY N N 81 114.500 114.500 114.183 0.317 18989 9899 1 14 . 1 1 81 81 GLY C C 81 171.900 171.900 171.706 0.194 18989 9900 1 14 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.652 1.948 18989 9901 1 14 . 1 1 82 82 TRP N N 82 121.700 121.700 120.802 0.898 18989 9902 1 14 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.549 0.241 18989 9903 1 14 . 1 1 82 82 TRP C C 82 171.500 171.500 173.833 -2.333 18989 9904 1 14 . 1 1 82 82 TRP CA C 82 57.400 57.400 53.988 3.412 18989 9905 1 14 . 1 1 82 82 TRP CB C 82 33.900 33.900 31.726 2.174 18989 9906 1 14 . 1 1 83 83 SER N N 83 113.600 113.600 115.360 -1.760 18989 9907 1 14 . 1 1 83 83 SER HA H 83 5.680 5.680 5.089 0.591 18989 9908 1 14 . 1 1 83 83 SER C C 83 174.500 174.500 173.682 0.818 18989 9909 1 14 . 1 1 83 83 SER CA C 83 54.800 54.800 57.330 -2.530 18989 9910 1 14 . 1 1 83 83 SER CB C 83 66.700 66.700 65.007 1.694 18989 9911 1 14 . 1 1 84 84 VAL N N 84 125.400 125.400 125.903 -0.503 18989 9912 1 14 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.190 0.660 18989 9913 1 14 . 1 1 84 84 VAL C C 84 176.500 176.500 176.734 -0.234 18989 9914 1 14 . 1 1 84 84 VAL CA C 84 61.400 61.400 62.680 -1.280 18989 9915 1 14 . 1 1 84 84 VAL CB C 84 34.600 34.600 32.351 2.249 18989 9916 1 14 . 1 1 85 85 THR N N 85 120.300 120.300 123.591 -3.291 18989 9917 1 14 . 1 1 85 85 THR HA H 85 3.720 3.720 3.955 -0.235 18989 9918 1 14 . 1 1 85 85 THR C C 85 173.500 173.500 173.985 -0.485 18989 9919 1 14 . 1 1 85 85 THR CA C 85 62.900 62.900 63.898 -0.998 18989 9920 1 14 . 1 1 85 85 THR CB C 85 66.600 66.600 67.296 -0.696 18989 9921 1 14 . 1 1 86 86 ASP N N 86 119.000 119.000 120.794 -1.794 18989 9922 1 14 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.281 -0.061 18989 9923 1 14 . 1 1 86 86 ASP C C 86 177.100 177.100 175.939 1.161 18989 9924 1 14 . 1 1 86 86 ASP CA C 86 54.700 54.700 57.205 -2.505 18989 9925 1 14 . 1 1 86 86 ASP CB C 86 39.700 39.700 39.828 -0.128 18989 9926 1 14 . 1 1 87 87 GLY N N 87 103.400 103.400 106.473 -3.073 18989 9927 1 14 . 1 1 87 87 GLY C C 87 175.000 175.000 173.093 1.907 18989 9928 1 14 . 1 1 87 87 GLY CA C 87 45.600 45.600 44.865 0.734 18989 9929 1 14 . 1 1 88 88 ASN N N 88 122.300 122.300 119.232 3.068 18989 9930 1 14 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.577 -0.467 18989 9931 1 14 . 1 1 88 88 ASN C C 88 174.500 174.500 175.155 -0.655 18989 9932 1 14 . 1 1 88 88 ASN CA C 88 55.600 55.600 55.569 0.031 18989 9933 1 14 . 1 1 88 88 ASN CB C 88 38.200 38.200 40.045 -1.845 18989 9934 1 14 . 1 1 89 89 VAL N N 89 115.700 115.700 116.887 -1.187 18989 9935 1 14 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.609 0.221 18989 9936 1 14 . 1 1 89 89 VAL C C 89 174.700 174.700 174.483 0.217 18989 9937 1 14 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.113 -1.513 18989 9938 1 14 . 1 1 89 89 VAL CB C 89 37.000 37.000 34.807 2.193 18989 9939 1 14 . 1 1 90 90 LYS N N 90 123.600 123.600 122.723 0.877 18989 9940 1 14 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.834 0.176 18989 9941 1 14 . 1 1 90 90 LYS C C 90 174.100 174.100 174.000 0.100 18989 9942 1 14 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.256 -0.356 18989 9943 1 14 . 1 1 90 90 LYS CB C 90 36.300 36.300 36.091 0.209 18989 9944 1 14 . 1 1 91 91 TRP N N 91 124.600 124.600 125.565 -0.965 18989 9945 1 14 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.952 0.148 18989 9946 1 14 . 1 1 91 91 TRP C C 91 174.600 174.600 174.684 -0.084 18989 9947 1 14 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.581 -0.681 18989 9948 1 14 . 1 1 91 91 TRP CB C 91 30.800 30.800 32.390 -1.590 18989 9949 1 14 . 1 1 92 92 ILE N N 92 118.000 118.000 120.591 -2.591 18989 9950 1 14 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.166 0.394 18989 9951 1 14 . 1 1 92 92 ILE C C 92 176.300 176.300 174.084 2.216 18989 9952 1 14 . 1 1 92 92 ILE CA C 92 60.800 60.800 60.638 0.162 18989 9953 1 14 . 1 1 92 92 ILE CB C 92 42.100 42.100 40.720 1.380 18989 9954 1 14 . 1 1 93 93 TYR N N 93 127.700 127.700 128.214 -0.514 18989 9955 1 14 . 1 1 93 93 TYR HA H 93 5.850 5.850 4.877 0.973 18989 9956 1 14 . 1 1 93 93 TYR C C 93 175.300 175.300 175.538 -0.238 18989 9957 1 14 . 1 1 93 93 TYR CA C 93 57.100 57.100 57.257 -0.157 18989 9958 1 14 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.273 2.527 18989 9959 1 14 . 1 1 94 94 SER N N 94 117.900 117.900 118.808 -0.908 18989 9960 1 14 . 1 1 94 94 SER HA H 94 5.510 5.510 5.042 0.468 18989 9961 1 14 . 1 1 94 94 SER C C 94 172.700 172.700 173.724 -1.024 18989 9962 1 14 . 1 1 94 94 SER CA C 94 57.300 57.300 58.100 -0.800 18989 9963 1 14 . 1 1 94 94 SER CB C 94 65.600 65.600 64.443 1.157 18989 9964 1 14 . 1 1 95 95 MET N N 95 119.600 119.600 118.751 0.849 18989 9965 1 14 . 1 1 95 95 MET HA H 95 5.840 5.840 5.365 0.475 18989 9966 1 14 . 1 1 95 95 MET C C 95 173.800 173.800 174.158 -0.358 18989 9967 1 14 . 1 1 95 95 MET CA C 95 54.200 54.200 55.091 -0.891 18989 9968 1 14 . 1 1 95 95 MET CB C 95 37.400 37.400 36.773 0.627 18989 9969 1 14 . 1 1 96 96 GLU N N 96 119.100 119.100 123.280 -4.180 18989 9970 1 14 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.944 0.026 18989 9971 1 14 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.105 -0.205 18989 9972 1 14 . 1 1 96 96 GLU CB C 96 33.000 33.000 31.132 1.868 18989 9973 1 14 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.371 0.449 18989 9974 1 14 . 1 1 97 97 PRO C C 97 176.300 176.300 175.976 0.324 18989 9975 1 14 . 1 1 97 97 PRO CA C 97 63.100 63.100 63.061 0.039 18989 9976 1 14 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.418 1.282 18989 9977 1 14 . 1 1 98 98 LEU N N 98 122.900 122.900 125.814 -2.914 18989 9978 1 14 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.582 -0.052 18989 9979 1 14 . 1 1 98 98 LEU C C 98 176.200 176.200 177.601 -1.401 18989 9980 1 14 . 1 1 98 98 LEU CA C 98 54.200 54.200 53.381 0.819 18989 9981 1 14 . 1 1 98 98 LEU CB C 98 44.100 44.100 43.199 0.901 18989 9982 1 14 . 1 1 99 99 GLU N N 99 124.700 124.700 119.740 4.960 18989 9983 1 14 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.202 -0.342 18989 9984 1 14 . 1 1 99 99 GLU C C 99 176.900 176.900 177.354 -0.454 18989 9985 1 14 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.360 1.140 18989 9986 1 14 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.923 -1.923 18989 9987 1 14 . 1 1 100 100 GLU N N 100 118.200 118.200 118.509 -0.309 18989 9988 1 14 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.362 0.068 18989 9989 1 14 . 1 1 100 100 GLU C C 100 176.200 176.200 176.530 -0.330 18989 9990 1 14 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.300 0.100 18989 9991 1 14 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.129 -0.229 18989 9992 1 14 . 1 1 101 101 GLY N N 101 110.100 110.100 106.046 4.054 18989 9993 1 14 . 1 1 101 101 GLY C C 101 174.100 174.100 172.970 1.130 18989 9994 1 14 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.381 -0.381 18989 9995 1 14 . 1 1 102 102 THR N N 102 120.200 120.200 116.237 3.963 18989 9996 1 14 . 1 1 102 102 THR HA H 102 4.850 4.850 5.117 -0.267 18989 9997 1 14 . 1 1 102 102 THR C C 102 172.700 172.700 173.683 -0.983 18989 9998 1 14 . 1 1 102 102 THR CA C 102 63.700 63.700 62.118 1.581 18989 9999 1 14 . 1 1 102 102 THR CB C 102 73.600 73.600 72.381 1.219 18989 10000 1 14 . 1 1 103 103 VAL N N 103 125.600 125.600 128.112 -2.512 18989 10001 1 14 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.486 0.424 18989 10002 1 14 . 1 1 103 103 VAL C C 103 175.000 175.000 175.361 -0.361 18989 10003 1 14 . 1 1 103 103 VAL CA C 103 61.300 61.300 62.205 -0.905 18989 10004 1 14 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.441 1.259 18989 10005 1 14 . 1 1 104 104 LEU N N 104 133.900 133.900 130.994 2.906 18989 10006 1 14 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.897 0.243 18989 10007 1 14 . 1 1 104 104 LEU C C 104 173.800 173.800 175.542 -1.742 18989 10008 1 14 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.150 -0.850 18989 10009 1 14 . 1 1 104 104 LEU CB C 104 46.100 46.100 43.628 2.472 18989 10010 1 14 . 1 1 105 105 THR N N 105 124.400 124.400 122.862 1.538 18989 10011 1 14 . 1 1 105 105 THR HA H 105 5.210 5.210 5.068 0.142 18989 10012 1 14 . 1 1 105 105 THR C C 105 173.500 173.500 172.779 0.721 18989 10013 1 14 . 1 1 105 105 THR CA C 105 61.500 61.500 61.837 -0.336 18989 10014 1 14 . 1 1 105 105 THR CB C 105 71.100 71.100 70.678 0.422 18989 10015 1 14 . 1 1 106 106 GLU N N 106 126.900 126.900 127.551 -0.651 18989 10016 1 14 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.946 0.414 18989 10017 1 14 . 1 1 106 106 GLU C C 106 173.400 173.400 175.134 -1.734 18989 10018 1 14 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.349 0.051 18989 10019 1 14 . 1 1 106 106 GLU CB C 106 32.000 32.000 32.250 -0.250 18989 10020 1 14 . 1 1 107 107 SER N N 107 120.800 120.800 122.116 -1.316 18989 10021 1 14 . 1 1 107 107 SER HA H 107 5.470 5.470 5.041 0.429 18989 10022 1 14 . 1 1 107 107 SER C C 107 171.600 171.600 173.139 -1.539 18989 10023 1 14 . 1 1 107 107 SER CA C 107 56.000 56.000 57.389 -1.389 18989 10024 1 14 . 1 1 107 107 SER CB C 107 66.700 66.700 64.063 2.637 18989 10025 1 14 . 1 1 108 108 TRP N N 108 124.600 124.600 128.546 -3.946 18989 10026 1 14 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.929 -0.249 18989 10027 1 14 . 1 1 108 108 TRP C C 108 175.000 175.000 174.463 0.537 18989 10028 1 14 . 1 1 108 108 TRP CA C 108 55.900 55.900 55.999 -0.099 18989 10029 1 14 . 1 1 108 108 TRP CB C 108 33.600 33.600 32.655 0.945 18989 10030 1 14 . 1 1 109 109 GLU N N 109 127.200 127.200 124.267 2.933 18989 10031 1 14 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.272 0.228 18989 10032 1 14 . 1 1 109 109 GLU C C 109 172.300 172.300 173.210 -0.910 18989 10033 1 14 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.388 -0.288 18989 10034 1 14 . 1 1 109 109 GLU CB C 109 32.900 32.900 33.834 -0.934 18989 10035 1 14 . 1 1 110 110 PHE N N 110 129.400 129.400 127.352 2.048 18989 10036 1 14 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.563 0.127 18989 10037 1 14 . 1 1 110 110 PHE C C 110 177.100 177.100 175.060 2.040 18989 10038 1 14 . 1 1 110 110 PHE CA C 110 54.000 54.000 55.721 -1.721 18989 10039 1 14 . 1 1 110 110 PHE CB C 110 38.500 38.500 39.115 -0.615 18989 10040 1 14 . 1 1 111 111 THR N N 111 117.800 117.800 123.629 -5.829 18989 10041 1 14 . 1 1 111 111 THR HA H 111 4.510 4.510 4.306 0.204 18989 10042 1 14 . 1 1 111 111 THR CA C 111 61.800 61.800 60.843 0.957 18989 10043 1 14 . 1 1 111 111 THR CB C 111 66.100 66.100 68.798 -2.698 18989 10044 1 14 . 1 1 113 113 LYS HA H 113 3.990 3.990 3.949 0.041 18989 10045 1 14 . 1 1 113 113 LYS C C 113 179.200 179.200 178.528 0.672 18989 10046 1 14 . 1 1 114 114 GLY N N 114 110.100 110.100 105.619 4.481 18989 10047 1 14 . 1 1 114 114 GLY CA C 114 47.100 47.100 45.944 1.156 18989 10048 1 14 . 1 1 115 115 GLN N N 115 121.100 121.100 122.126 -1.026 18989 10049 1 14 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.250 -0.240 18989 10050 1 14 . 1 1 115 115 GLN C C 115 178.000 178.000 178.044 -0.044 18989 10051 1 14 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.882 1.018 18989 10052 1 14 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.474 0.926 18989 10053 1 14 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.210 -0.070 18989 10054 1 14 . 1 1 116 116 ARG C C 116 177.900 177.900 178.507 -0.607 18989 10055 1 14 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.193 0.307 18989 10056 1 14 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.837 0.163 18989 10057 1 14 . 1 1 117 117 PHE N N 117 120.800 120.800 120.093 0.707 18989 10058 1 14 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.251 0.219 18989 10059 1 14 . 1 1 117 117 PHE C C 117 178.100 178.100 177.140 0.960 18989 10060 1 14 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.614 -0.414 18989 10061 1 14 . 1 1 117 117 PHE CB C 117 39.000 39.000 39.125 -0.125 18989 10062 1 14 . 1 1 118 118 PHE N N 118 119.600 119.600 118.749 0.851 18989 10063 1 14 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.247 -0.017 18989 10064 1 14 . 1 1 118 118 PHE C C 118 178.500 178.500 176.978 1.522 18989 10065 1 14 . 1 1 118 118 PHE CA C 118 62.300 62.300 60.558 1.742 18989 10066 1 14 . 1 1 118 118 PHE CB C 118 39.200 39.200 39.463 -0.263 18989 10067 1 14 . 1 1 119 119 HIS N N 119 120.900 120.900 120.497 0.403 18989 10068 1 14 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.233 0.387 18989 10069 1 14 . 1 1 119 119 HIS C C 119 178.500 178.500 177.148 1.352 18989 10070 1 14 . 1 1 119 119 HIS CA C 119 59.900 59.900 60.503 -0.603 18989 10071 1 14 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.203 -0.503 18989 10072 1 14 . 1 1 120 120 ASP N N 120 120.400 120.400 118.774 1.626 18989 10073 1 14 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.334 -0.004 18989 10074 1 14 . 1 1 120 120 ASP C C 120 177.500 177.500 177.436 0.064 18989 10075 1 14 . 1 1 120 120 ASP CA C 120 57.200 57.200 55.936 1.264 18989 10076 1 14 . 1 1 120 120 ASP CB C 120 40.500 40.500 40.540 -0.040 18989 10077 1 14 . 1 1 121 121 LYS N N 121 118.100 118.100 118.890 -0.790 18989 10078 1 14 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.972 -0.162 18989 10079 1 14 . 1 1 121 121 LYS C C 121 178.200 178.200 178.167 0.033 18989 10080 1 14 . 1 1 121 121 LYS CA C 121 58.100 58.100 58.217 -0.117 18989 10081 1 14 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.787 0.413 18989 10082 1 14 . 1 1 122 122 PHE N N 122 112.800 112.800 117.252 -4.452 18989 10083 1 14 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.115 0.565 18989 10084 1 14 . 1 1 122 122 PHE C C 122 177.600 177.600 177.352 0.248 18989 10085 1 14 . 1 1 122 122 PHE CA C 122 58.100 58.100 59.566 -1.466 18989 10086 1 14 . 1 1 122 122 PHE CB C 122 40.000 40.000 40.117 -0.117 18989 10087 1 14 . 1 1 123 123 GLY N N 123 112.200 112.200 106.019 6.181 18989 10088 1 14 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.273 1.027 18989 10089 1 14 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.478 0.102 18989 10090 1 14 . 1 1 124 124 ASP C C 124 177.700 177.700 177.942 -0.242 18989 10091 1 14 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.488 0.312 18989 10092 1 14 . 1 1 124 124 ASP CB C 124 40.100 40.100 41.416 -1.316 18989 10093 1 14 . 1 1 125 125 LYS N N 125 118.400 118.400 118.863 -0.463 18989 10094 1 14 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.374 0.296 18989 10095 1 14 . 1 1 125 125 LYS C C 125 177.100 177.100 177.220 -0.120 18989 10096 1 14 . 1 1 125 125 LYS CA C 125 56.000 56.000 57.033 -1.033 18989 10097 1 14 . 1 1 125 125 LYS CB C 125 32.300 32.300 31.372 0.928 18989 10098 1 14 . 1 1 126 126 SER N N 126 116.600 116.600 115.815 0.785 18989 10099 1 14 . 1 1 126 126 SER HA H 126 3.830 3.830 4.683 -0.853 18989 10100 1 14 . 1 1 126 126 SER C C 126 175.700 175.700 176.017 -0.317 18989 10101 1 14 . 1 1 126 126 SER CA C 126 62.700 62.700 61.455 1.246 18989 10102 1 14 . 1 1 126 126 SER CB C 126 63.000 63.000 62.743 0.257 18989 10103 1 14 . 1 1 127 127 ILE N N 127 122.300 122.300 122.020 0.280 18989 10104 1 14 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.831 -0.021 18989 10105 1 14 . 1 1 127 127 ILE C C 127 178.500 178.500 177.587 0.913 18989 10106 1 14 . 1 1 127 127 ILE CA C 127 65.000 65.000 62.961 2.039 18989 10107 1 14 . 1 1 127 127 ILE CB C 127 36.800 36.800 36.886 -0.086 18989 10108 1 14 . 1 1 128 128 GLU N N 128 120.500 120.500 120.082 0.418 18989 10109 1 14 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.902 0.198 18989 10110 1 14 . 1 1 128 128 GLU C C 128 179.400 179.400 178.673 0.727 18989 10111 1 14 . 1 1 128 128 GLU CA C 128 59.300 59.300 60.025 -0.725 18989 10112 1 14 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.249 0.451 18989 10113 1 14 . 1 1 129 129 GLU N N 129 118.800 118.800 119.317 -0.517 18989 10114 1 14 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.963 -0.053 18989 10115 1 14 . 1 1 129 129 GLU C C 129 179.900 179.900 179.207 0.693 18989 10116 1 14 . 1 1 129 129 GLU CA C 129 59.000 59.000 59.273 -0.273 18989 10117 1 14 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.384 -0.184 18989 10118 1 14 . 1 1 130 130 ILE N N 130 122.700 122.700 115.760 6.940 18989 10119 1 14 . 1 1 130 130 ILE HA H 130 3.480 3.480 4.067 -0.587 18989 10120 1 14 . 1 1 130 130 ILE C C 130 177.600 177.600 178.264 -0.664 18989 10121 1 14 . 1 1 130 130 ILE CA C 130 66.400 66.400 63.900 2.500 18989 10122 1 14 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.607 0.693 18989 10123 1 14 . 1 1 131 131 GLU N N 131 120.100 120.100 122.131 -2.031 18989 10124 1 14 . 1 1 131 131 GLU HA H 131 4.390 4.390 4.015 0.375 18989 10125 1 14 . 1 1 131 131 GLU C C 131 178.800 178.800 179.008 -0.208 18989 10126 1 14 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.799 -1.199 18989 10127 1 14 . 1 1 131 131 GLU CB C 131 28.900 28.900 28.978 -0.078 18989 10128 1 14 . 1 1 132 132 LYS N N 132 118.300 118.300 119.396 -1.096 18989 10129 1 14 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.955 0.005 18989 10130 1 14 . 1 1 132 132 LYS C C 132 180.400 180.400 179.544 0.856 18989 10131 1 14 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.558 0.742 18989 10132 1 14 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.307 0.393 18989 10133 1 14 . 1 1 133 133 ARG N N 133 118.400 118.400 118.152 0.248 18989 10134 1 14 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.995 0.065 18989 10135 1 14 . 1 1 133 133 ARG C C 133 178.600 178.600 178.611 -0.011 18989 10136 1 14 . 1 1 133 133 ARG CA C 133 58.000 58.000 59.035 -1.036 18989 10137 1 14 . 1 1 133 133 ARG CB C 133 29.400 29.400 30.212 -0.812 18989 10138 1 14 . 1 1 134 134 ARG N N 134 122.500 122.500 120.635 1.865 18989 10139 1 14 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.052 -0.442 18989 10140 1 14 . 1 1 134 134 ARG C C 134 177.600 177.600 178.218 -0.618 18989 10141 1 14 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.381 0.019 18989 10142 1 14 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.178 0.822 18989 10143 1 14 . 1 1 135 135 LEU N N 135 118.200 118.200 119.307 -1.107 18989 10144 1 14 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.892 -0.082 18989 10145 1 14 . 1 1 135 135 LEU C C 135 179.700 179.700 178.619 1.081 18989 10146 1 14 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.773 -0.073 18989 10147 1 14 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.737 -0.337 18989 10148 1 14 . 1 1 136 136 ALA N N 136 120.400 120.400 119.914 0.486 18989 10149 1 14 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.921 0.109 18989 10150 1 14 . 1 1 136 136 ALA C C 136 180.500 180.500 178.378 2.122 18989 10151 1 14 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.448 0.252 18989 10152 1 14 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.866 0.234 18989 10153 1 14 . 1 1 137 137 ALA N N 137 123.200 123.200 120.549 2.651 18989 10154 1 14 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.545 0.355 18989 10155 1 14 . 1 1 137 137 ALA C C 137 178.700 178.700 178.984 -0.284 18989 10156 1 14 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.142 1.157 18989 10157 1 14 . 1 1 137 137 ALA CB C 137 15.800 15.800 18.100 -2.300 18989 10158 1 14 . 1 1 138 138 ILE N N 138 115.400 115.400 117.758 -2.358 18989 10159 1 14 . 1 1 138 138 ILE HA H 138 2.830 2.830 3.406 -0.576 18989 10160 1 14 . 1 1 138 138 ILE C C 138 177.800 177.800 177.742 0.058 18989 10161 1 14 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.322 -0.122 18989 10162 1 14 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.509 -0.109 18989 10163 1 14 . 1 1 139 139 THR N N 139 109.500 109.500 115.664 -6.164 18989 10164 1 14 . 1 1 139 139 THR HA H 139 4.150 4.150 4.143 0.007 18989 10165 1 14 . 1 1 139 139 THR C C 139 177.300 177.300 176.191 1.109 18989 10166 1 14 . 1 1 139 139 THR CA C 139 64.000 64.000 66.655 -2.655 18989 10167 1 14 . 1 1 139 139 THR CB C 139 69.600 69.600 68.904 0.696 18989 10168 1 14 . 1 1 140 140 GLY N N 140 110.800 110.800 110.024 0.776 18989 10169 1 14 . 1 1 140 140 GLY C C 140 176.700 176.700 176.221 0.479 18989 10170 1 14 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.828 -0.028 18989 10171 1 14 . 1 1 141 141 ILE N N 141 122.700 122.700 122.571 0.129 18989 10172 1 14 . 1 1 141 141 ILE HA H 141 4.160 4.160 3.934 0.226 18989 10173 1 14 . 1 1 141 141 ILE CA C 141 68.300 68.300 66.593 1.707 18989 10174 1 14 . 1 1 141 141 ILE CB C 141 36.300 36.300 35.492 0.808 18989 10175 1 14 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.146 0.204 18989 10176 1 14 . 1 1 142 142 PRO C C 142 179.300 179.300 179.152 0.148 18989 10177 1 14 . 1 1 142 142 PRO CA C 142 66.700 66.700 66.251 0.449 18989 10178 1 14 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.010 0.190 18989 10179 1 14 . 1 1 143 143 GLU N N 143 113.900 113.900 117.232 -3.332 18989 10180 1 14 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.022 0.148 18989 10181 1 14 . 1 1 143 143 GLU C C 143 179.600 179.600 179.389 0.211 18989 10182 1 14 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.362 -0.062 18989 10183 1 14 . 1 1 143 143 GLU CB C 143 30.000 30.000 28.866 1.134 18989 10184 1 14 . 1 1 144 144 THR N N 144 119.900 119.900 117.490 2.410 18989 10185 1 14 . 1 1 144 144 THR HA H 144 4.290 4.290 4.106 0.184 18989 10186 1 14 . 1 1 144 144 THR C C 144 175.800 175.800 176.770 -0.970 18989 10187 1 14 . 1 1 144 144 THR CA C 144 67.000 67.000 66.678 0.322 18989 10188 1 14 . 1 1 144 144 THR CB C 144 69.500 69.500 68.594 0.906 18989 10189 1 14 . 1 1 145 145 LEU N N 145 120.300 120.300 121.253 -0.953 18989 10190 1 14 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.074 -0.164 18989 10191 1 14 . 1 1 145 145 LEU C C 145 178.700 178.700 178.596 0.104 18989 10192 1 14 . 1 1 145 145 LEU CA C 145 58.600 58.600 57.970 0.630 18989 10193 1 14 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.571 -0.071 18989 10194 1 14 . 1 1 146 146 VAL N N 146 117.600 117.600 118.889 -1.289 18989 10195 1 14 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.775 -0.095 18989 10196 1 14 . 1 1 146 146 VAL C C 146 177.700 177.700 178.534 -0.834 18989 10197 1 14 . 1 1 146 146 VAL CA C 146 66.100 66.100 65.636 0.464 18989 10198 1 14 . 1 1 146 146 VAL CB C 146 32.000 32.000 30.517 1.484 18989 10199 1 14 . 1 1 147 147 ALA N N 147 123.600 123.600 123.305 0.295 18989 10200 1 14 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.037 0.193 18989 10201 1 14 . 1 1 147 147 ALA C C 147 180.400 180.400 179.895 0.505 18989 10202 1 14 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.402 0.198 18989 10203 1 14 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.155 0.645 18989 10204 1 14 . 1 1 148 148 ILE N N 148 119.600 119.600 119.393 0.207 18989 10205 1 14 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.603 -0.293 18989 10206 1 14 . 1 1 148 148 ILE C C 148 177.100 177.100 177.990 -0.890 18989 10207 1 14 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.391 0.909 18989 10208 1 14 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.867 0.333 18989 10209 1 14 . 1 1 149 149 GLN N N 149 119.200 119.200 119.442 -0.242 18989 10210 1 14 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.858 -0.188 18989 10211 1 14 . 1 1 149 149 GLN C C 149 178.000 178.000 178.156 -0.156 18989 10212 1 14 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.461 0.639 18989 10213 1 14 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.722 0.878 18989 10214 1 14 . 1 1 150 150 ARG N N 150 120.500 120.500 120.043 0.457 18989 10215 1 14 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.365 -0.315 18989 10216 1 14 . 1 1 150 150 ARG C C 150 179.000 179.000 178.842 0.158 18989 10217 1 14 . 1 1 150 150 ARG CA C 150 59.300 59.300 58.204 1.096 18989 10218 1 14 . 1 1 150 150 ARG CB C 150 30.000 30.000 29.755 0.246 18989 10219 1 14 . 1 1 151 151 ILE N N 151 119.100 119.100 120.385 -1.285 18989 10220 1 14 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.773 -0.123 18989 10221 1 14 . 1 1 151 151 ILE C C 151 178.500 178.500 177.022 1.478 18989 10222 1 14 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.257 1.043 18989 10223 1 14 . 1 1 151 151 ILE CB C 151 39.000 39.000 37.908 1.092 18989 10224 1 14 . 1 1 152 152 LEU N N 152 117.100 117.100 120.289 -3.189 18989 10225 1 14 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.851 0.229 18989 10226 1 14 . 1 1 152 152 LEU C C 152 178.700 178.700 178.937 -0.237 18989 10227 1 14 . 1 1 152 152 LEU CA C 152 57.000 57.000 58.157 -1.157 18989 10228 1 14 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.675 1.225 18989 10229 1 14 . 1 1 153 153 GLU N N 153 117.800 117.800 119.150 -1.350 18989 10230 1 14 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.962 0.208 18989 10231 1 14 . 1 1 153 153 GLU C C 153 178.300 178.300 179.311 -1.011 18989 10232 1 14 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.482 -0.782 18989 10233 1 14 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.587 -0.287 18989 10234 1 14 . 1 1 154 154 VAL N N 154 119.500 119.500 119.821 -0.321 18989 10235 1 14 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.710 0.290 18989 10236 1 14 . 1 1 154 154 VAL C C 154 177.500 177.500 178.699 -1.199 18989 10237 1 14 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.313 -1.613 18989 10238 1 14 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.781 0.419 18989 10239 1 14 . 1 1 155 155 GLU N N 155 121.300 121.300 119.197 2.103 18989 10240 1 14 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.180 0.000 18989 10241 1 14 . 1 1 155 155 GLU C C 155 177.600 177.600 179.518 -1.918 18989 10242 1 14 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.385 -0.385 18989 10243 1 14 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.156 0.544 18989 10244 1 14 . 1 1 156 156 LEU N N 156 120.800 120.800 118.498 2.302 18989 10245 1 14 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.190 0.040 18989 10246 1 14 . 1 1 156 156 LEU C C 156 178.000 178.000 177.511 0.489 18989 10247 1 14 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.141 -0.941 18989 10248 1 14 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.197 0.103 18989 10249 1 14 . 1 1 157 157 GLU N N 157 119.700 119.700 112.593 7.107 18989 10250 1 14 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.452 -0.322 18989 10251 1 14 . 1 1 157 157 GLU C C 157 177.000 177.000 176.402 0.598 18989 10252 1 14 . 1 1 157 157 GLU CA C 157 57.400 57.400 55.387 2.013 18989 10253 1 14 . 1 1 157 157 GLU CB C 157 29.800 29.800 29.676 0.124 18989 10254 1 14 . 1 1 158 158 HIS N N 158 117.700 117.700 120.411 -2.711 18989 10255 1 14 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.378 0.252 18989 10256 1 14 . 1 1 158 158 HIS C C 158 173.900 173.900 174.551 -0.651 18989 10257 1 14 . 1 1 158 158 HIS CA C 158 56.000 56.000 57.157 -1.157 18989 10258 1 14 . 1 1 158 158 HIS CB C 158 30.000 30.000 30.068 -0.068 18989 10259 1 14 . 1 1 159 159 HIS N N 159 125.200 125.200 117.011 8.189 18989 10260 1 14 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.561 -0.121 18989 10261 1 14 . 1 1 159 159 HIS CA C 159 57.300 57.300 55.497 1.803 18989 10262 1 14 . 1 1 159 159 HIS CB C 159 28.800 28.800 27.426 1.374 18989 10263 1 15 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.471 -0.070 18989 10264 1 15 . 1 1 2 2 PRO CA C 2 62.400 62.400 63.132 -0.732 18989 10265 1 15 . 1 1 2 2 PRO CB C 2 32.800 32.800 32.107 0.693 18989 10266 1 15 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.491 -0.011 18989 10267 1 15 . 1 1 3 3 LYS C C 3 176.600 176.600 176.036 0.564 18989 10268 1 15 . 1 1 3 3 LYS CA C 3 55.900 55.900 55.407 0.493 18989 10269 1 15 . 1 1 3 3 LYS CB C 3 34.200 34.200 34.149 0.051 18989 10270 1 15 . 1 1 4 4 SER N N 4 117.800 117.800 117.097 0.703 18989 10271 1 15 . 1 1 4 4 SER HA H 4 4.220 4.220 4.435 -0.215 18989 10272 1 15 . 1 1 4 4 SER C C 4 174.100 174.100 174.689 -0.589 18989 10273 1 15 . 1 1 4 4 SER CA C 4 59.700 59.700 58.248 1.452 18989 10274 1 15 . 1 1 4 4 SER CB C 4 63.700 63.700 63.551 0.149 18989 10275 1 15 . 1 1 5 5 LEU N N 5 124.700 124.700 125.001 -0.301 18989 10276 1 15 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.163 0.637 18989 10277 1 15 . 1 1 5 5 LEU C C 5 175.500 175.500 175.374 0.126 18989 10278 1 15 . 1 1 5 5 LEU CA C 5 54.000 54.000 55.264 -1.264 18989 10279 1 15 . 1 1 5 5 LEU CB C 5 43.200 43.200 39.605 3.595 18989 10280 1 15 . 1 1 6 6 THR N N 6 111.200 111.200 113.938 -2.738 18989 10281 1 15 . 1 1 6 6 THR HA H 6 5.620 5.620 4.911 0.709 18989 10282 1 15 . 1 1 6 6 THR C C 6 174.500 174.500 173.501 0.999 18989 10283 1 15 . 1 1 6 6 THR CA C 6 59.700 59.700 60.148 -0.448 18989 10284 1 15 . 1 1 6 6 THR CB C 6 73.000 73.000 71.642 1.358 18989 10285 1 15 . 1 1 7 7 PHE N N 7 120.700 120.700 122.197 -1.497 18989 10286 1 15 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.804 -0.054 18989 10287 1 15 . 1 1 7 7 PHE C C 7 172.100 172.100 172.962 -0.862 18989 10288 1 15 . 1 1 7 7 PHE CA C 7 59.300 59.300 56.863 2.437 18989 10289 1 15 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.472 0.028 18989 10290 1 15 . 1 1 8 8 GLU N N 8 122.100 122.100 120.674 1.426 18989 10291 1 15 . 1 1 8 8 GLU HA H 8 5.380 5.380 4.844 0.536 18989 10292 1 15 . 1 1 8 8 GLU C C 8 172.500 172.500 173.823 -1.323 18989 10293 1 15 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.211 0.289 18989 10294 1 15 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.446 0.054 18989 10295 1 15 . 1 1 9 9 ASP N N 9 117.400 117.400 121.081 -3.681 18989 10296 1 15 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.764 0.056 18989 10297 1 15 . 1 1 9 9 ASP C C 9 173.500 173.500 174.001 -0.501 18989 10298 1 15 . 1 1 9 9 ASP CA C 9 53.100 53.100 52.434 0.666 18989 10299 1 15 . 1 1 9 9 ASP CB C 9 45.100 45.100 43.579 1.521 18989 10300 1 15 . 1 1 10 10 SER N N 10 113.600 113.600 116.938 -3.338 18989 10301 1 15 . 1 1 10 10 SER HA H 10 5.990 5.990 5.653 0.337 18989 10302 1 15 . 1 1 10 10 SER C C 10 172.600 172.600 173.203 -0.603 18989 10303 1 15 . 1 1 10 10 SER CA C 10 57.300 57.300 56.755 0.545 18989 10304 1 15 . 1 1 10 10 SER CB C 10 68.100 68.100 66.505 1.595 18989 10305 1 15 . 1 1 11 11 ILE N N 11 122.700 122.700 121.236 1.464 18989 10306 1 15 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.408 0.112 18989 10307 1 15 . 1 1 11 11 ILE C C 11 171.300 171.300 173.490 -2.190 18989 10308 1 15 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.964 0.036 18989 10309 1 15 . 1 1 11 11 ILE CB C 11 43.400 43.400 41.913 1.487 18989 10310 1 15 . 1 1 12 12 ASN N N 12 124.600 124.600 126.120 -1.520 18989 10311 1 15 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.912 0.368 18989 10312 1 15 . 1 1 12 12 ASN C C 12 174.700 174.700 174.666 0.034 18989 10313 1 15 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.759 -0.459 18989 10314 1 15 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.498 0.102 18989 10315 1 15 . 1 1 13 13 ILE N N 13 122.900 122.900 125.065 -2.165 18989 10316 1 15 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.296 0.154 18989 10317 1 15 . 1 1 13 13 ILE C C 13 175.300 175.300 175.382 -0.082 18989 10318 1 15 . 1 1 13 13 ILE CA C 13 60.300 60.300 60.167 0.133 18989 10319 1 15 . 1 1 13 13 ILE CB C 13 41.600 41.600 40.449 1.151 18989 10320 1 15 . 1 1 14 14 ALA N N 14 136.600 136.600 130.492 6.108 18989 10321 1 15 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.431 0.269 18989 10322 1 15 . 1 1 14 14 ALA C C 14 175.100 175.100 176.153 -1.053 18989 10323 1 15 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.424 -0.424 18989 10324 1 15 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.418 -1.118 18989 10325 1 15 . 1 1 15 15 ALA N N 15 122.100 122.100 124.165 -2.065 18989 10326 1 15 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.748 0.012 18989 10327 1 15 . 1 1 15 15 ALA CA C 15 50.000 50.000 50.159 -0.159 18989 10328 1 15 . 1 1 15 15 ALA CB C 15 21.100 21.100 19.985 1.115 18989 10329 1 15 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.673 -0.063 18989 10330 1 15 . 1 1 16 16 PRO C C 16 179.200 179.200 177.623 1.577 18989 10331 1 15 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.325 -0.225 18989 10332 1 15 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.780 0.320 18989 10333 1 15 . 1 1 17 17 ILE N N 17 124.400 124.400 121.026 3.374 18989 10334 1 15 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.713 0.277 18989 10335 1 15 . 1 1 17 17 ILE C C 17 175.800 175.800 176.949 -1.149 18989 10336 1 15 . 1 1 17 17 ILE CA C 17 65.700 65.700 63.928 1.772 18989 10337 1 15 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.142 0.557 18989 10338 1 15 . 1 1 18 18 ASN N N 18 117.200 117.200 117.036 0.164 18989 10339 1 15 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.328 0.362 18989 10340 1 15 . 1 1 18 18 ASN C C 18 178.700 178.700 177.586 1.114 18989 10341 1 15 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.778 -0.978 18989 10342 1 15 . 1 1 18 18 ASN CB C 18 37.100 37.100 38.060 -0.960 18989 10343 1 15 . 1 1 19 19 GLN N N 19 120.300 120.300 119.170 1.130 18989 10344 1 15 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.114 0.006 18989 10345 1 15 . 1 1 19 19 GLN C C 19 178.500 178.500 178.668 -0.168 18989 10346 1 15 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.729 -0.429 18989 10347 1 15 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.497 -0.197 18989 10348 1 15 . 1 1 20 20 VAL N N 20 120.300 120.300 119.654 0.646 18989 10349 1 15 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.717 -0.267 18989 10350 1 15 . 1 1 20 20 VAL C C 20 177.500 177.500 178.052 -0.552 18989 10351 1 15 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.124 0.076 18989 10352 1 15 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.294 -0.394 18989 10353 1 15 . 1 1 21 21 TYR N N 21 118.800 118.800 122.150 -3.350 18989 10354 1 15 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.328 -0.748 18989 10355 1 15 . 1 1 21 21 TYR C C 21 177.800 177.800 177.608 0.192 18989 10356 1 15 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.394 1.506 18989 10357 1 15 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.662 -0.262 18989 10358 1 15 . 1 1 22 22 ALA N N 22 120.400 120.400 121.195 -0.795 18989 10359 1 15 . 1 1 22 22 ALA HA H 22 3.760 3.760 4.013 -0.253 18989 10360 1 15 . 1 1 22 22 ALA C C 22 178.000 178.000 178.468 -0.468 18989 10361 1 15 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.503 0.197 18989 10362 1 15 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.291 0.209 18989 10363 1 15 . 1 1 23 23 LEU N N 23 116.400 116.400 117.661 -1.261 18989 10364 1 15 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.197 0.033 18989 10365 1 15 . 1 1 23 23 LEU C C 23 177.200 177.200 178.101 -0.901 18989 10366 1 15 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.366 0.634 18989 10367 1 15 . 1 1 23 23 LEU CB C 23 42.400 42.400 42.205 0.195 18989 10368 1 15 . 1 1 24 24 VAL N N 24 128.600 128.600 117.606 10.994 18989 10369 1 15 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.821 -0.461 18989 10370 1 15 . 1 1 24 24 VAL C C 24 175.200 175.200 177.222 -2.022 18989 10371 1 15 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.713 -0.413 18989 10372 1 15 . 1 1 24 24 VAL CB C 24 30.800 30.800 32.199 -1.399 18989 10373 1 15 . 1 1 25 25 SER N N 25 108.500 108.500 112.942 -4.442 18989 10374 1 15 . 1 1 25 25 SER HA H 25 2.520 2.520 4.257 -1.737 18989 10375 1 15 . 1 1 25 25 SER CA C 25 58.200 58.200 58.588 -0.388 18989 10376 1 15 . 1 1 25 25 SER CB C 25 63.600 63.600 62.969 0.631 18989 10377 1 15 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.298 0.612 18989 10378 1 15 . 1 1 26 26 ASP C C 26 175.500 175.500 176.266 -0.766 18989 10379 1 15 . 1 1 26 26 ASP CA C 26 51.200 51.200 54.316 -3.116 18989 10380 1 15 . 1 1 26 26 ASP CB C 26 38.100 38.100 41.851 -3.751 18989 10381 1 15 . 1 1 27 27 ILE N N 27 123.500 123.500 117.052 6.448 18989 10382 1 15 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.204 -0.814 18989 10383 1 15 . 1 1 27 27 ILE C C 27 178.900 178.900 174.724 4.176 18989 10384 1 15 . 1 1 27 27 ILE CA C 27 61.700 61.700 59.754 1.946 18989 10385 1 15 . 1 1 27 27 ILE CB C 27 36.600 36.600 37.519 -0.919 18989 10386 1 15 . 1 1 28 28 THR N N 28 112.500 112.500 110.939 1.561 18989 10387 1 15 . 1 1 28 28 THR HA H 28 4.350 4.350 4.422 -0.072 18989 10388 1 15 . 1 1 28 28 THR C C 28 176.500 176.500 175.958 0.542 18989 10389 1 15 . 1 1 28 28 THR CA C 28 64.000 64.000 62.947 1.052 18989 10390 1 15 . 1 1 28 28 THR CB C 28 68.600 68.600 70.356 -1.756 18989 10391 1 15 . 1 1 29 29 ARG N N 29 121.100 121.100 121.982 -0.882 18989 10392 1 15 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.129 0.151 18989 10393 1 15 . 1 1 29 29 ARG CA C 29 56.200 56.200 58.191 -1.991 18989 10394 1 15 . 1 1 29 29 ARG CB C 29 30.600 30.600 29.953 0.647 18989 10395 1 15 . 1 1 30 30 THR HA H 30 5.870 5.870 4.116 1.754 18989 10396 1 15 . 1 1 30 30 THR C C 30 174.000 174.000 175.171 -1.171 18989 10397 1 15 . 1 1 30 30 THR CA C 30 66.000 66.000 64.319 1.681 18989 10398 1 15 . 1 1 30 30 THR CB C 30 69.400 69.400 68.983 0.417 18989 10399 1 15 . 1 1 31 31 GLY N N 31 106.200 106.200 109.330 -3.130 18989 10400 1 15 . 1 1 31 31 GLY C C 31 175.200 175.200 173.288 1.912 18989 10401 1 15 . 1 1 31 31 GLY CA C 31 46.200 46.200 45.191 1.010 18989 10402 1 15 . 1 1 32 32 GLU N N 32 118.400 118.400 123.528 -5.128 18989 10403 1 15 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.292 -0.322 18989 10404 1 15 . 1 1 32 32 GLU C C 32 177.500 177.500 176.496 1.004 18989 10405 1 15 . 1 1 32 32 GLU CA C 32 58.800 58.800 55.344 3.456 18989 10406 1 15 . 1 1 32 32 GLU CB C 32 29.800 29.800 31.489 -1.689 18989 10407 1 15 . 1 1 33 33 TRP N N 33 113.200 113.200 117.417 -4.217 18989 10408 1 15 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.315 0.625 18989 10409 1 15 . 1 1 33 33 TRP C C 33 175.300 175.300 176.035 -0.735 18989 10410 1 15 . 1 1 33 33 TRP CA C 33 56.400 56.400 59.776 -3.376 18989 10411 1 15 . 1 1 33 33 TRP CB C 33 30.600 30.600 27.271 3.329 18989 10412 1 15 . 1 1 34 34 SER N N 34 118.600 118.600 115.285 3.315 18989 10413 1 15 . 1 1 34 34 SER HA H 34 4.930 4.930 4.424 0.506 18989 10414 1 15 . 1 1 34 34 SER CA C 34 54.700 54.700 60.603 -5.903 18989 10415 1 15 . 1 1 34 34 SER CB C 34 63.000 63.000 62.756 0.244 18989 10416 1 15 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.488 -0.028 18989 10417 1 15 . 1 1 35 35 PRO C C 35 177.100 177.100 176.299 0.801 18989 10418 1 15 . 1 1 35 35 PRO CA C 35 64.500 64.500 62.348 2.152 18989 10419 1 15 . 1 1 35 35 PRO CB C 35 32.300 32.300 32.416 -0.116 18989 10420 1 15 . 1 1 36 36 VAL N N 36 113.900 113.900 112.701 1.199 18989 10421 1 15 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.458 -0.358 18989 10422 1 15 . 1 1 36 36 VAL C C 36 174.200 174.200 176.045 -1.845 18989 10423 1 15 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.486 0.415 18989 10424 1 15 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.396 1.104 18989 10425 1 15 . 1 1 37 37 CYS N N 37 121.000 121.000 119.528 1.472 18989 10426 1 15 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.989 -0.529 18989 10427 1 15 . 1 1 37 37 CYS C C 37 173.600 173.600 174.137 -0.537 18989 10428 1 15 . 1 1 37 37 CYS CA C 37 58.500 58.500 58.212 0.288 18989 10429 1 15 . 1 1 37 37 CYS CB C 37 27.000 27.000 29.441 -2.441 18989 10430 1 15 . 1 1 38 38 GLU N N 38 129.300 129.300 125.756 3.544 18989 10431 1 15 . 1 1 38 38 GLU HA H 38 4.140 4.140 3.807 0.333 18989 10432 1 15 . 1 1 38 38 GLU C C 38 176.500 176.500 175.305 1.195 18989 10433 1 15 . 1 1 38 38 GLU CA C 38 57.900 57.900 56.530 1.370 18989 10434 1 15 . 1 1 38 38 GLU CB C 38 31.800 31.800 31.726 0.074 18989 10435 1 15 . 1 1 39 39 LYS N N 39 117.100 117.100 118.639 -1.539 18989 10436 1 15 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.176 0.294 18989 10437 1 15 . 1 1 39 39 LYS C C 39 173.600 173.600 173.318 0.282 18989 10438 1 15 . 1 1 39 39 LYS CA C 39 55.800 55.800 56.193 -0.393 18989 10439 1 15 . 1 1 39 39 LYS CB C 39 36.500 36.500 33.933 2.567 18989 10440 1 15 . 1 1 40 40 CYS N N 40 125.100 125.100 125.141 -0.041 18989 10441 1 15 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.246 0.164 18989 10442 1 15 . 1 1 40 40 CYS C C 40 173.000 173.000 173.942 -0.942 18989 10443 1 15 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.190 -0.090 18989 10444 1 15 . 1 1 40 40 CYS CB C 40 30.100 30.100 30.227 -0.127 18989 10445 1 15 . 1 1 41 41 TRP N N 41 124.300 124.300 127.351 -3.051 18989 10446 1 15 . 1 1 41 41 TRP HA H 41 4.830 4.830 5.099 -0.269 18989 10447 1 15 . 1 1 41 41 TRP C C 41 174.100 174.100 174.948 -0.848 18989 10448 1 15 . 1 1 41 41 TRP CA C 41 56.300 56.300 55.843 0.457 18989 10449 1 15 . 1 1 41 41 TRP CB C 41 32.400 32.400 31.568 0.832 18989 10450 1 15 . 1 1 42 42 TRP N N 42 123.700 123.700 124.371 -0.671 18989 10451 1 15 . 1 1 42 42 TRP HA H 42 4.830 4.830 5.270 -0.440 18989 10452 1 15 . 1 1 42 42 TRP C C 42 178.200 178.200 175.337 2.863 18989 10453 1 15 . 1 1 42 42 TRP CA C 42 57.000 57.000 54.235 2.765 18989 10454 1 15 . 1 1 42 42 TRP CB C 42 31.600 31.600 30.081 1.519 18989 10455 1 15 . 1 1 43 43 ASP N N 43 124.400 124.400 125.920 -1.520 18989 10456 1 15 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.304 0.376 18989 10457 1 15 . 1 1 43 43 ASP C C 43 176.300 176.300 177.048 -0.748 18989 10458 1 15 . 1 1 43 43 ASP CA C 43 56.300 56.300 56.113 0.187 18989 10459 1 15 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.858 -0.559 18989 10460 1 15 . 1 1 44 44 GLU N N 44 119.400 119.400 117.169 2.231 18989 10461 1 15 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.133 0.137 18989 10462 1 15 . 1 1 44 44 GLU C C 44 176.500 176.500 177.483 -0.983 18989 10463 1 15 . 1 1 44 44 GLU CA C 44 57.600 57.600 56.843 0.757 18989 10464 1 15 . 1 1 44 44 GLU CB C 44 30.200 30.200 28.252 1.948 18989 10465 1 15 . 1 1 45 45 ASP N N 45 118.300 118.300 120.330 -2.030 18989 10466 1 15 . 1 1 45 45 ASP HA H 45 4.480 4.480 3.283 1.197 18989 10467 1 15 . 1 1 45 45 ASP C C 45 175.900 175.900 177.201 -1.301 18989 10468 1 15 . 1 1 45 45 ASP CA C 45 56.000 56.000 55.958 0.042 18989 10469 1 15 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.224 -0.024 18989 10470 1 15 . 1 1 46 46 GLU N N 46 118.200 118.200 118.048 0.152 18989 10471 1 15 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.064 0.396 18989 10472 1 15 . 1 1 46 46 GLU C C 46 175.200 175.200 177.314 -2.114 18989 10473 1 15 . 1 1 46 46 GLU CA C 46 56.600 56.600 57.078 -0.478 18989 10474 1 15 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.248 0.552 18989 10475 1 15 . 1 1 47 47 GLY N N 47 106.400 106.400 107.620 -1.220 18989 10476 1 15 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.645 -1.045 18989 10477 1 15 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.742 -0.152 18989 10478 1 15 . 1 1 48 48 PRO C C 48 173.400 173.400 176.375 -2.975 18989 10479 1 15 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.936 0.164 18989 10480 1 15 . 1 1 48 48 PRO CB C 48 29.100 29.100 31.006 -1.906 18989 10481 1 15 . 1 1 49 49 VAL N N 49 121.900 121.900 116.952 4.948 18989 10482 1 15 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.493 0.117 18989 10483 1 15 . 1 1 49 49 VAL C C 49 175.100 175.100 175.393 -0.293 18989 10484 1 15 . 1 1 49 49 VAL CA C 49 59.300 59.300 59.078 0.222 18989 10485 1 15 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.362 1.138 18989 10486 1 15 . 1 1 50 50 VAL N N 50 121.700 121.700 121.347 0.353 18989 10487 1 15 . 1 1 50 50 VAL HA H 50 3.300 3.300 4.199 -0.899 18989 10488 1 15 . 1 1 50 50 VAL C C 50 177.400 177.400 177.497 -0.097 18989 10489 1 15 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.633 2.567 18989 10490 1 15 . 1 1 50 50 VAL CB C 50 31.300 31.300 30.333 0.967 18989 10491 1 15 . 1 1 51 51 GLY N N 51 115.800 115.800 117.657 -1.857 18989 10492 1 15 . 1 1 51 51 GLY C C 51 174.200 174.200 174.177 0.023 18989 10493 1 15 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.801 -0.201 18989 10494 1 15 . 1 1 52 52 ALA N N 52 123.000 123.000 126.056 -3.056 18989 10495 1 15 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.507 0.043 18989 10496 1 15 . 1 1 52 52 ALA C C 52 177.300 177.300 175.733 1.567 18989 10497 1 15 . 1 1 52 52 ALA CA C 52 52.800 52.800 52.367 0.433 18989 10498 1 15 . 1 1 52 52 ALA CB C 52 23.100 23.100 20.462 2.638 18989 10499 1 15 . 1 1 53 53 HIS N N 53 115.900 115.900 118.881 -2.981 18989 10500 1 15 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.516 0.504 18989 10501 1 15 . 1 1 53 53 HIS C C 53 174.200 174.200 174.088 0.112 18989 10502 1 15 . 1 1 53 53 HIS CA C 53 55.200 55.200 54.114 1.086 18989 10503 1 15 . 1 1 53 53 HIS CB C 53 32.100 32.100 31.287 0.813 18989 10504 1 15 . 1 1 54 54 PHE N N 54 115.800 115.800 120.937 -5.137 18989 10505 1 15 . 1 1 54 54 PHE HA H 54 5.150 5.150 5.045 0.105 18989 10506 1 15 . 1 1 54 54 PHE C C 54 172.600 172.600 174.291 -1.691 18989 10507 1 15 . 1 1 54 54 PHE CA C 54 55.500 55.500 55.779 -0.279 18989 10508 1 15 . 1 1 54 54 PHE CB C 54 41.700 41.700 41.062 0.638 18989 10509 1 15 . 1 1 55 55 THR N N 55 118.300 118.300 118.681 -0.381 18989 10510 1 15 . 1 1 55 55 THR HA H 55 4.770 4.770 4.429 0.341 18989 10511 1 15 . 1 1 55 55 THR C C 55 171.800 171.800 173.792 -1.992 18989 10512 1 15 . 1 1 55 55 THR CA C 55 61.000 61.000 62.702 -1.702 18989 10513 1 15 . 1 1 55 55 THR CB C 55 70.200 70.200 68.686 1.514 18989 10514 1 15 . 1 1 56 56 GLY N N 56 110.500 110.500 112.971 -2.471 18989 10515 1 15 . 1 1 56 56 GLY C C 56 171.100 171.100 172.055 -0.955 18989 10516 1 15 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.199 0.101 18989 10517 1 15 . 1 1 57 57 ARG N N 57 123.800 123.800 126.615 -2.815 18989 10518 1 15 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.210 0.450 18989 10519 1 15 . 1 1 57 57 ARG C C 57 172.900 172.900 174.718 -1.818 18989 10520 1 15 . 1 1 57 57 ARG CA C 57 55.300 55.300 55.711 -0.411 18989 10521 1 15 . 1 1 57 57 ARG CB C 57 32.500 32.500 30.861 1.639 18989 10522 1 15 . 1 1 58 58 ASN N N 58 127.200 127.200 126.010 1.190 18989 10523 1 15 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.376 -0.316 18989 10524 1 15 . 1 1 58 58 ASN C C 58 173.100 173.100 174.118 -1.018 18989 10525 1 15 . 1 1 58 58 ASN CA C 58 51.900 51.900 52.961 -1.061 18989 10526 1 15 . 1 1 58 58 ASN CB C 58 38.800 38.800 40.051 -1.251 18989 10527 1 15 . 1 1 59 59 VAL N N 59 121.400 121.400 127.187 -5.787 18989 10528 1 15 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.403 0.277 18989 10529 1 15 . 1 1 59 59 VAL C C 59 175.100 175.100 174.157 0.943 18989 10530 1 15 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.946 1.454 18989 10531 1 15 . 1 1 59 59 VAL CB C 59 35.800 35.800 33.671 2.129 18989 10532 1 15 . 1 1 60 60 THR N N 60 118.000 118.000 120.452 -2.452 18989 10533 1 15 . 1 1 60 60 THR HA H 60 5.000 5.000 5.006 -0.006 18989 10534 1 15 . 1 1 60 60 THR CA C 60 58.900 58.900 59.029 -0.129 18989 10535 1 15 . 1 1 60 60 THR CB C 60 70.200 70.200 70.576 -0.376 18989 10536 1 15 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.332 -0.052 18989 10537 1 15 . 1 1 61 61 PRO C C 61 177.700 177.700 177.711 -0.011 18989 10538 1 15 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.574 0.926 18989 10539 1 15 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.849 -0.049 18989 10540 1 15 . 1 1 62 62 GLU N N 62 111.700 111.700 117.483 -5.783 18989 10541 1 15 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.286 -0.006 18989 10542 1 15 . 1 1 62 62 GLU C C 62 176.500 176.500 176.894 -0.394 18989 10543 1 15 . 1 1 62 62 GLU CA C 62 57.600 57.600 57.132 0.468 18989 10544 1 15 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.122 0.878 18989 10545 1 15 . 1 1 63 63 ARG N N 63 118.000 118.000 118.403 -0.403 18989 10546 1 15 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.696 -0.006 18989 10547 1 15 . 1 1 63 63 ARG C C 63 174.000 174.000 174.281 -0.281 18989 10548 1 15 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.704 0.996 18989 10549 1 15 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.397 0.303 18989 10550 1 15 . 1 1 64 64 THR N N 64 120.700 120.700 121.456 -0.756 18989 10551 1 15 . 1 1 64 64 THR HA H 64 5.780 5.780 5.155 0.625 18989 10552 1 15 . 1 1 64 64 THR C C 64 174.000 174.000 173.460 0.540 18989 10553 1 15 . 1 1 64 64 THR CA C 64 61.600 61.600 62.184 -0.584 18989 10554 1 15 . 1 1 64 64 THR CB C 64 71.700 71.700 69.029 2.671 18989 10555 1 15 . 1 1 65 65 TRP N N 65 128.000 128.000 128.631 -0.631 18989 10556 1 15 . 1 1 65 65 TRP HA H 65 5.170 5.170 5.025 0.145 18989 10557 1 15 . 1 1 65 65 TRP C C 65 172.800 172.800 173.532 -0.732 18989 10558 1 15 . 1 1 65 65 TRP CA C 65 57.300 57.300 55.586 1.714 18989 10559 1 15 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.320 -0.420 18989 10560 1 15 . 1 1 66 66 GLU N N 66 120.800 120.800 124.902 -4.102 18989 10561 1 15 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.167 1.423 18989 10562 1 15 . 1 1 66 66 GLU C C 66 177.300 177.300 175.059 2.241 18989 10563 1 15 . 1 1 66 66 GLU CA C 66 54.200 54.200 55.729 -1.529 18989 10564 1 15 . 1 1 66 66 GLU CB C 66 32.700 32.700 29.733 2.967 18989 10565 1 15 . 1 1 67 67 THR N N 67 113.700 113.700 117.126 -3.426 18989 10566 1 15 . 1 1 67 67 THR HA H 67 4.750 4.750 4.484 0.266 18989 10567 1 15 . 1 1 67 67 THR C C 67 173.300 173.300 174.119 -0.819 18989 10568 1 15 . 1 1 67 67 THR CA C 67 59.500 59.500 60.572 -1.072 18989 10569 1 15 . 1 1 67 67 THR CB C 67 71.500 71.500 70.348 1.152 18989 10570 1 15 . 1 1 68 68 ARG N N 68 125.300 125.300 127.889 -2.589 18989 10571 1 15 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.744 0.116 18989 10572 1 15 . 1 1 68 68 ARG C C 68 175.700 175.700 175.868 -0.168 18989 10573 1 15 . 1 1 68 68 ARG CA C 68 55.000 55.000 56.232 -1.232 18989 10574 1 15 . 1 1 68 68 ARG CB C 68 31.700 31.700 30.895 0.805 18989 10575 1 15 . 1 1 69 69 SER N N 69 122.000 122.000 120.729 1.271 18989 10576 1 15 . 1 1 69 69 SER HA H 69 5.570 5.570 5.082 0.488 18989 10577 1 15 . 1 1 69 69 SER C C 69 172.200 172.200 172.883 -0.683 18989 10578 1 15 . 1 1 69 69 SER CA C 69 58.000 58.000 57.338 0.662 18989 10579 1 15 . 1 1 69 69 SER CB C 69 66.700 66.700 64.682 2.018 18989 10580 1 15 . 1 1 70 70 GLU N N 70 121.900 121.900 127.257 -5.357 18989 10581 1 15 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.949 0.251 18989 10582 1 15 . 1 1 70 70 GLU C C 70 176.000 176.000 176.557 -0.557 18989 10583 1 15 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.674 -1.074 18989 10584 1 15 . 1 1 70 70 GLU CB C 70 34.700 34.700 31.603 3.097 18989 10585 1 15 . 1 1 71 71 VAL N N 71 126.600 126.600 128.640 -2.040 18989 10586 1 15 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.086 0.164 18989 10587 1 15 . 1 1 71 71 VAL C C 71 177.600 177.600 176.504 1.096 18989 10588 1 15 . 1 1 71 71 VAL CA C 71 64.800 64.800 64.376 0.424 18989 10589 1 15 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.608 1.592 18989 10590 1 15 . 1 1 72 72 ILE N N 72 123.200 123.200 124.664 -1.464 18989 10591 1 15 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.425 0.305 18989 10592 1 15 . 1 1 72 72 ILE C C 72 175.200 175.200 175.488 -0.288 18989 10593 1 15 . 1 1 72 72 ILE CA C 72 62.000 62.000 61.749 0.251 18989 10594 1 15 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.838 0.762 18989 10595 1 15 . 1 1 73 73 VAL N N 73 121.700 121.700 120.210 1.490 18989 10596 1 15 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.503 -0.303 18989 10597 1 15 . 1 1 73 73 VAL C C 73 172.000 172.000 173.245 -1.245 18989 10598 1 15 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.078 1.022 18989 10599 1 15 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.890 -1.190 18989 10600 1 15 . 1 1 74 74 ALA N N 74 131.100 131.100 130.296 0.804 18989 10601 1 15 . 1 1 74 74 ALA HA H 74 5.320 5.320 4.948 0.372 18989 10602 1 15 . 1 1 74 74 ALA C C 74 174.900 174.900 176.178 -1.278 18989 10603 1 15 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.517 1.183 18989 10604 1 15 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.864 -2.564 18989 10605 1 15 . 1 1 75 75 GLU N N 75 126.100 126.100 125.283 0.817 18989 10606 1 15 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.962 0.008 18989 10607 1 15 . 1 1 75 75 GLU CA C 75 52.100 52.100 53.397 -1.297 18989 10608 1 15 . 1 1 75 75 GLU CB C 75 31.300 31.300 30.791 0.509 18989 10609 1 15 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.262 -1.642 18989 10610 1 15 . 1 1 76 76 PRO CA C 76 63.900 63.900 65.855 -1.955 18989 10611 1 15 . 1 1 76 76 PRO CB C 76 31.900 31.900 32.249 -0.349 18989 10612 1 15 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.517 -0.757 18989 10613 1 15 . 1 1 77 77 ASN C C 77 172.700 172.700 175.591 -2.891 18989 10614 1 15 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.032 2.068 18989 10615 1 15 . 1 1 77 77 ASN CB C 77 36.900 36.900 39.537 -2.637 18989 10616 1 15 . 1 1 78 78 ARG N N 78 115.300 115.300 119.893 -4.593 18989 10617 1 15 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.565 0.335 18989 10618 1 15 . 1 1 78 78 ARG C C 78 176.000 176.000 175.622 0.378 18989 10619 1 15 . 1 1 78 78 ARG CA C 78 58.300 58.300 57.495 0.805 18989 10620 1 15 . 1 1 78 78 ARG CB C 78 34.000 34.000 30.941 3.059 18989 10621 1 15 . 1 1 79 79 CYS N N 79 117.700 117.700 115.341 2.359 18989 10622 1 15 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.046 0.624 18989 10623 1 15 . 1 1 79 79 CYS C C 79 172.200 172.200 172.339 -0.139 18989 10624 1 15 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.782 -0.582 18989 10625 1 15 . 1 1 79 79 CYS CB C 79 29.500 29.500 29.338 0.162 18989 10626 1 15 . 1 1 80 80 PHE N N 80 129.500 129.500 129.510 -0.010 18989 10627 1 15 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.490 0.030 18989 10628 1 15 . 1 1 80 80 PHE C C 80 173.400 173.400 174.327 -0.927 18989 10629 1 15 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.249 1.651 18989 10630 1 15 . 1 1 80 80 PHE CB C 80 43.800 43.800 42.482 1.318 18989 10631 1 15 . 1 1 81 81 GLY N N 81 114.500 114.500 114.681 -0.181 18989 10632 1 15 . 1 1 81 81 GLY C C 81 171.900 171.900 171.750 0.150 18989 10633 1 15 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.433 2.167 18989 10634 1 15 . 1 1 82 82 TRP N N 82 121.700 121.700 120.449 1.251 18989 10635 1 15 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.553 0.237 18989 10636 1 15 . 1 1 82 82 TRP C C 82 171.500 171.500 174.035 -2.535 18989 10637 1 15 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.443 2.957 18989 10638 1 15 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.439 1.461 18989 10639 1 15 . 1 1 83 83 SER N N 83 113.600 113.600 116.367 -2.767 18989 10640 1 15 . 1 1 83 83 SER HA H 83 5.680 5.680 5.192 0.488 18989 10641 1 15 . 1 1 83 83 SER C C 83 174.500 174.500 175.029 -0.529 18989 10642 1 15 . 1 1 83 83 SER CA C 83 54.800 54.800 56.823 -2.023 18989 10643 1 15 . 1 1 83 83 SER CB C 83 66.700 66.700 64.048 2.652 18989 10644 1 15 . 1 1 84 84 VAL N N 84 125.400 125.400 128.537 -3.137 18989 10645 1 15 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.118 0.732 18989 10646 1 15 . 1 1 84 84 VAL C C 84 176.500 176.500 175.904 0.596 18989 10647 1 15 . 1 1 84 84 VAL CA C 84 61.400 61.400 63.390 -1.990 18989 10648 1 15 . 1 1 84 84 VAL CB C 84 34.600 34.600 30.637 3.963 18989 10649 1 15 . 1 1 85 85 THR N N 85 120.300 120.300 120.705 -0.405 18989 10650 1 15 . 1 1 85 85 THR HA H 85 3.720 3.720 3.941 -0.221 18989 10651 1 15 . 1 1 85 85 THR C C 85 173.500 173.500 173.548 -0.048 18989 10652 1 15 . 1 1 85 85 THR CA C 85 62.900 62.900 63.950 -1.050 18989 10653 1 15 . 1 1 85 85 THR CB C 85 66.600 66.600 69.315 -2.715 18989 10654 1 15 . 1 1 86 86 ASP N N 86 119.000 119.000 119.830 -0.830 18989 10655 1 15 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.189 0.031 18989 10656 1 15 . 1 1 86 86 ASP C C 86 177.100 177.100 177.213 -0.113 18989 10657 1 15 . 1 1 86 86 ASP CA C 86 54.700 54.700 54.675 0.025 18989 10658 1 15 . 1 1 86 86 ASP CB C 86 39.700 39.700 39.283 0.417 18989 10659 1 15 . 1 1 87 87 GLY N N 87 103.400 103.400 112.677 -9.277 18989 10660 1 15 . 1 1 87 87 GLY C C 87 175.000 175.000 174.888 0.112 18989 10661 1 15 . 1 1 87 87 GLY CA C 87 45.600 45.600 46.014 -0.414 18989 10662 1 15 . 1 1 88 88 ASN N N 88 122.300 122.300 120.090 2.210 18989 10663 1 15 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.287 -0.177 18989 10664 1 15 . 1 1 88 88 ASN C C 88 174.500 174.500 174.488 0.012 18989 10665 1 15 . 1 1 88 88 ASN CA C 88 55.600 55.600 55.395 0.205 18989 10666 1 15 . 1 1 88 88 ASN CB C 88 38.200 38.200 39.504 -1.304 18989 10667 1 15 . 1 1 89 89 VAL N N 89 115.700 115.700 119.160 -3.460 18989 10668 1 15 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.077 0.753 18989 10669 1 15 . 1 1 89 89 VAL C C 89 174.700 174.700 174.258 0.442 18989 10670 1 15 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.522 -1.922 18989 10671 1 15 . 1 1 89 89 VAL CB C 89 37.000 37.000 32.417 4.583 18989 10672 1 15 . 1 1 90 90 LYS N N 90 123.600 123.600 126.110 -2.510 18989 10673 1 15 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.477 0.533 18989 10674 1 15 . 1 1 90 90 LYS C C 90 174.100 174.100 175.095 -0.995 18989 10675 1 15 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.627 -0.727 18989 10676 1 15 . 1 1 90 90 LYS CB C 90 36.300 36.300 34.293 2.007 18989 10677 1 15 . 1 1 91 91 TRP N N 91 124.600 124.600 125.225 -0.625 18989 10678 1 15 . 1 1 91 91 TRP HA H 91 5.100 5.100 5.173 -0.073 18989 10679 1 15 . 1 1 91 91 TRP C C 91 174.600 174.600 174.887 -0.287 18989 10680 1 15 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.575 -0.675 18989 10681 1 15 . 1 1 91 91 TRP CB C 91 30.800 30.800 31.754 -0.954 18989 10682 1 15 . 1 1 92 92 ILE N N 92 118.000 118.000 123.470 -5.470 18989 10683 1 15 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.343 0.217 18989 10684 1 15 . 1 1 92 92 ILE C C 92 176.300 176.300 174.233 2.067 18989 10685 1 15 . 1 1 92 92 ILE CA C 92 60.800 60.800 58.766 2.034 18989 10686 1 15 . 1 1 92 92 ILE CB C 92 42.100 42.100 38.487 3.613 18989 10687 1 15 . 1 1 93 93 TYR N N 93 127.700 127.700 128.241 -0.541 18989 10688 1 15 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.146 0.704 18989 10689 1 15 . 1 1 93 93 TYR C C 93 175.300 175.300 175.410 -0.110 18989 10690 1 15 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.772 0.328 18989 10691 1 15 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.586 2.214 18989 10692 1 15 . 1 1 94 94 SER N N 94 117.900 117.900 120.177 -2.277 18989 10693 1 15 . 1 1 94 94 SER HA H 94 5.510 5.510 5.083 0.427 18989 10694 1 15 . 1 1 94 94 SER C C 94 172.700 172.700 173.524 -0.824 18989 10695 1 15 . 1 1 94 94 SER CA C 94 57.300 57.300 57.610 -0.310 18989 10696 1 15 . 1 1 94 94 SER CB C 94 65.600 65.600 64.384 1.216 18989 10697 1 15 . 1 1 95 95 MET N N 95 119.600 119.600 126.406 -6.806 18989 10698 1 15 . 1 1 95 95 MET HA H 95 5.840 5.840 5.233 0.607 18989 10699 1 15 . 1 1 95 95 MET C C 95 173.800 173.800 174.823 -1.023 18989 10700 1 15 . 1 1 95 95 MET CA C 95 54.200 54.200 54.715 -0.515 18989 10701 1 15 . 1 1 95 95 MET CB C 95 37.400 37.400 35.611 1.789 18989 10702 1 15 . 1 1 96 96 GLU N N 96 119.100 119.100 124.801 -5.701 18989 10703 1 15 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.849 0.121 18989 10704 1 15 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.156 -0.256 18989 10705 1 15 . 1 1 96 96 GLU CB C 96 33.000 33.000 30.327 2.673 18989 10706 1 15 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.451 0.369 18989 10707 1 15 . 1 1 97 97 PRO C C 97 176.300 176.300 176.086 0.214 18989 10708 1 15 . 1 1 97 97 PRO CA C 97 63.100 63.100 63.002 0.098 18989 10709 1 15 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.450 1.250 18989 10710 1 15 . 1 1 98 98 LEU N N 98 122.900 122.900 125.118 -2.218 18989 10711 1 15 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.312 0.218 18989 10712 1 15 . 1 1 98 98 LEU C C 98 176.200 176.200 177.340 -1.140 18989 10713 1 15 . 1 1 98 98 LEU CA C 98 54.200 54.200 54.333 -0.133 18989 10714 1 15 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.586 1.514 18989 10715 1 15 . 1 1 99 99 GLU N N 99 124.700 124.700 119.797 4.903 18989 10716 1 15 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.173 -0.313 18989 10717 1 15 . 1 1 99 99 GLU C C 99 176.900 176.900 177.241 -0.341 18989 10718 1 15 . 1 1 99 99 GLU CA C 99 59.500 59.500 57.989 1.511 18989 10719 1 15 . 1 1 99 99 GLU CB C 99 28.000 28.000 30.124 -2.124 18989 10720 1 15 . 1 1 100 100 GLU N N 100 118.200 118.200 116.760 1.440 18989 10721 1 15 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.387 0.043 18989 10722 1 15 . 1 1 100 100 GLU C C 100 176.200 176.200 176.539 -0.339 18989 10723 1 15 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.311 0.089 18989 10724 1 15 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.733 -0.833 18989 10725 1 15 . 1 1 101 101 GLY N N 101 110.100 110.100 106.687 3.413 18989 10726 1 15 . 1 1 101 101 GLY C C 101 174.100 174.100 172.950 1.150 18989 10727 1 15 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.266 -0.266 18989 10728 1 15 . 1 1 102 102 THR N N 102 120.200 120.200 116.936 3.264 18989 10729 1 15 . 1 1 102 102 THR HA H 102 4.850 4.850 4.857 -0.007 18989 10730 1 15 . 1 1 102 102 THR C C 102 172.700 172.700 173.904 -1.204 18989 10731 1 15 . 1 1 102 102 THR CA C 102 63.700 63.700 62.493 1.207 18989 10732 1 15 . 1 1 102 102 THR CB C 102 73.600 73.600 72.228 1.373 18989 10733 1 15 . 1 1 103 103 VAL N N 103 125.600 125.600 127.668 -2.068 18989 10734 1 15 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.498 0.412 18989 10735 1 15 . 1 1 103 103 VAL C C 103 175.000 175.000 174.934 0.066 18989 10736 1 15 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.817 -0.517 18989 10737 1 15 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.276 1.424 18989 10738 1 15 . 1 1 104 104 LEU N N 104 133.900 133.900 131.320 2.580 18989 10739 1 15 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.631 0.509 18989 10740 1 15 . 1 1 104 104 LEU C C 104 173.800 173.800 175.417 -1.617 18989 10741 1 15 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.173 -0.873 18989 10742 1 15 . 1 1 104 104 LEU CB C 104 46.100 46.100 42.498 3.602 18989 10743 1 15 . 1 1 105 105 THR N N 105 124.400 124.400 123.617 0.783 18989 10744 1 15 . 1 1 105 105 THR HA H 105 5.210 5.210 5.030 0.180 18989 10745 1 15 . 1 1 105 105 THR C C 105 173.500 173.500 173.396 0.104 18989 10746 1 15 . 1 1 105 105 THR CA C 105 61.500 61.500 61.564 -0.064 18989 10747 1 15 . 1 1 105 105 THR CB C 105 71.100 71.100 71.606 -0.506 18989 10748 1 15 . 1 1 106 106 GLU N N 106 126.900 126.900 125.910 0.990 18989 10749 1 15 . 1 1 106 106 GLU HA H 106 5.360 5.360 5.205 0.155 18989 10750 1 15 . 1 1 106 106 GLU C C 106 173.400 173.400 175.495 -2.095 18989 10751 1 15 . 1 1 106 106 GLU CA C 106 54.400 54.400 53.450 0.950 18989 10752 1 15 . 1 1 106 106 GLU CB C 106 32.000 32.000 33.181 -1.181 18989 10753 1 15 . 1 1 107 107 SER N N 107 120.800 120.800 116.351 4.449 18989 10754 1 15 . 1 1 107 107 SER HA H 107 5.470 5.470 4.839 0.631 18989 10755 1 15 . 1 1 107 107 SER C C 107 171.600 171.600 173.182 -1.582 18989 10756 1 15 . 1 1 107 107 SER CA C 107 56.000 56.000 57.297 -1.296 18989 10757 1 15 . 1 1 107 107 SER CB C 107 66.700 66.700 64.646 2.054 18989 10758 1 15 . 1 1 108 108 TRP N N 108 124.600 124.600 129.831 -5.231 18989 10759 1 15 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.361 0.319 18989 10760 1 15 . 1 1 108 108 TRP C C 108 175.000 175.000 174.729 0.271 18989 10761 1 15 . 1 1 108 108 TRP CA C 108 55.900 55.900 56.366 -0.466 18989 10762 1 15 . 1 1 108 108 TRP CB C 108 33.600 33.600 30.011 3.589 18989 10763 1 15 . 1 1 109 109 GLU N N 109 127.200 127.200 128.987 -1.787 18989 10764 1 15 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.298 0.202 18989 10765 1 15 . 1 1 109 109 GLU C C 109 172.300 172.300 174.691 -2.391 18989 10766 1 15 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.455 -0.355 18989 10767 1 15 . 1 1 109 109 GLU CB C 109 32.900 32.900 30.700 2.200 18989 10768 1 15 . 1 1 110 110 PHE N N 110 129.400 129.400 127.858 1.542 18989 10769 1 15 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.595 0.095 18989 10770 1 15 . 1 1 110 110 PHE C C 110 177.100 177.100 174.278 2.822 18989 10771 1 15 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.240 -2.240 18989 10772 1 15 . 1 1 110 110 PHE CB C 110 38.500 38.500 38.787 -0.287 18989 10773 1 15 . 1 1 111 111 THR N N 111 117.800 117.800 118.812 -1.012 18989 10774 1 15 . 1 1 111 111 THR HA H 111 4.510 4.510 4.390 0.120 18989 10775 1 15 . 1 1 111 111 THR CA C 111 61.800 61.800 59.033 2.767 18989 10776 1 15 . 1 1 111 111 THR CB C 111 66.100 66.100 68.547 -2.447 18989 10777 1 15 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.333 -0.343 18989 10778 1 15 . 1 1 113 113 LYS C C 113 179.200 179.200 177.141 2.059 18989 10779 1 15 . 1 1 114 114 GLY N N 114 110.100 110.100 108.341 1.759 18989 10780 1 15 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.811 0.289 18989 10781 1 15 . 1 1 115 115 GLN N N 115 121.100 121.100 120.322 0.778 18989 10782 1 15 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.428 -0.418 18989 10783 1 15 . 1 1 115 115 GLN C C 115 178.000 178.000 178.648 -0.648 18989 10784 1 15 . 1 1 115 115 GLN CA C 115 59.900 59.900 59.551 0.349 18989 10785 1 15 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.540 0.860 18989 10786 1 15 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.196 -0.056 18989 10787 1 15 . 1 1 116 116 ARG C C 116 177.900 177.900 178.769 -0.869 18989 10788 1 15 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.926 -0.426 18989 10789 1 15 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.937 0.063 18989 10790 1 15 . 1 1 117 117 PHE N N 117 120.800 120.800 119.706 1.094 18989 10791 1 15 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.347 0.123 18989 10792 1 15 . 1 1 117 117 PHE C C 117 178.100 178.100 177.185 0.915 18989 10793 1 15 . 1 1 117 117 PHE CA C 117 61.200 61.200 60.540 0.660 18989 10794 1 15 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.631 0.369 18989 10795 1 15 . 1 1 118 118 PHE N N 118 119.600 119.600 115.675 3.925 18989 10796 1 15 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.147 0.083 18989 10797 1 15 . 1 1 118 118 PHE C C 118 178.500 178.500 177.853 0.647 18989 10798 1 15 . 1 1 118 118 PHE CA C 118 62.300 62.300 61.669 0.631 18989 10799 1 15 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.701 0.499 18989 10800 1 15 . 1 1 119 119 HIS N N 119 120.900 120.900 121.224 -0.324 18989 10801 1 15 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.531 0.089 18989 10802 1 15 . 1 1 119 119 HIS C C 119 178.500 178.500 177.098 1.402 18989 10803 1 15 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.791 0.109 18989 10804 1 15 . 1 1 119 119 HIS CB C 119 29.700 29.700 29.960 -0.260 18989 10805 1 15 . 1 1 120 120 ASP N N 120 120.400 120.400 118.326 2.074 18989 10806 1 15 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.368 -0.038 18989 10807 1 15 . 1 1 120 120 ASP C C 120 177.500 177.500 177.611 -0.111 18989 10808 1 15 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.507 0.693 18989 10809 1 15 . 1 1 120 120 ASP CB C 120 40.500 40.500 40.625 -0.125 18989 10810 1 15 . 1 1 121 121 LYS N N 121 118.100 118.100 117.955 0.145 18989 10811 1 15 . 1 1 121 121 LYS HA H 121 3.810 3.810 4.114 -0.304 18989 10812 1 15 . 1 1 121 121 LYS C C 121 178.200 178.200 177.667 0.533 18989 10813 1 15 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.537 0.563 18989 10814 1 15 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.875 0.325 18989 10815 1 15 . 1 1 122 122 PHE N N 122 112.800 112.800 117.573 -4.773 18989 10816 1 15 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.425 0.255 18989 10817 1 15 . 1 1 122 122 PHE C C 122 177.600 177.600 177.339 0.261 18989 10818 1 15 . 1 1 122 122 PHE CA C 122 58.100 58.100 60.008 -1.908 18989 10819 1 15 . 1 1 122 122 PHE CB C 122 40.000 40.000 40.004 -0.004 18989 10820 1 15 . 1 1 123 123 GLY N N 123 112.200 112.200 108.309 3.891 18989 10821 1 15 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.816 0.484 18989 10822 1 15 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.598 -0.018 18989 10823 1 15 . 1 1 124 124 ASP C C 124 177.700 177.700 177.294 0.406 18989 10824 1 15 . 1 1 124 124 ASP CA C 124 56.800 56.800 55.999 0.801 18989 10825 1 15 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.806 -0.706 18989 10826 1 15 . 1 1 125 125 LYS N N 125 118.400 118.400 119.668 -1.268 18989 10827 1 15 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.486 0.184 18989 10828 1 15 . 1 1 125 125 LYS C C 125 177.100 177.100 177.191 -0.091 18989 10829 1 15 . 1 1 125 125 LYS CA C 125 56.000 56.000 56.063 -0.063 18989 10830 1 15 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.503 -0.203 18989 10831 1 15 . 1 1 126 126 SER N N 126 116.600 116.600 115.879 0.721 18989 10832 1 15 . 1 1 126 126 SER HA H 126 3.830 3.830 4.358 -0.528 18989 10833 1 15 . 1 1 126 126 SER C C 126 175.700 175.700 175.712 -0.012 18989 10834 1 15 . 1 1 126 126 SER CA C 126 62.700 62.700 60.223 2.477 18989 10835 1 15 . 1 1 126 126 SER CB C 126 63.000 63.000 62.788 0.211 18989 10836 1 15 . 1 1 127 127 ILE N N 127 122.300 122.300 121.480 0.820 18989 10837 1 15 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.676 0.134 18989 10838 1 15 . 1 1 127 127 ILE C C 127 178.500 178.500 177.256 1.244 18989 10839 1 15 . 1 1 127 127 ILE CA C 127 65.000 65.000 65.313 -0.313 18989 10840 1 15 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.684 -0.884 18989 10841 1 15 . 1 1 128 128 GLU N N 128 120.500 120.500 119.740 0.760 18989 10842 1 15 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.901 0.199 18989 10843 1 15 . 1 1 128 128 GLU C C 128 179.400 179.400 178.500 0.900 18989 10844 1 15 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.525 -0.225 18989 10845 1 15 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.195 0.505 18989 10846 1 15 . 1 1 129 129 GLU N N 129 118.800 118.800 119.950 -1.150 18989 10847 1 15 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.345 0.565 18989 10848 1 15 . 1 1 129 129 GLU C C 129 179.900 179.900 178.531 1.369 18989 10849 1 15 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.889 0.111 18989 10850 1 15 . 1 1 129 129 GLU CB C 129 29.200 29.200 28.972 0.228 18989 10851 1 15 . 1 1 130 130 ILE N N 130 122.700 122.700 119.073 3.627 18989 10852 1 15 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.707 -0.227 18989 10853 1 15 . 1 1 130 130 ILE C C 130 177.600 177.600 177.804 -0.204 18989 10854 1 15 . 1 1 130 130 ILE CA C 130 66.400 66.400 63.926 2.474 18989 10855 1 15 . 1 1 130 130 ILE CB C 130 38.300 38.300 38.092 0.208 18989 10856 1 15 . 1 1 131 131 GLU N N 131 120.100 120.100 120.716 -0.616 18989 10857 1 15 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.949 0.441 18989 10858 1 15 . 1 1 131 131 GLU C C 131 178.800 178.800 178.404 0.396 18989 10859 1 15 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.246 -0.646 18989 10860 1 15 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.178 -0.279 18989 10861 1 15 . 1 1 132 132 LYS N N 132 118.300 118.300 118.798 -0.498 18989 10862 1 15 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.992 -0.032 18989 10863 1 15 . 1 1 132 132 LYS C C 132 180.400 180.400 179.094 1.306 18989 10864 1 15 . 1 1 132 132 LYS CA C 132 60.300 60.300 58.989 1.311 18989 10865 1 15 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.511 0.189 18989 10866 1 15 . 1 1 133 133 ARG N N 133 118.400 118.400 118.080 0.320 18989 10867 1 15 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.930 0.130 18989 10868 1 15 . 1 1 133 133 ARG C C 133 178.600 178.600 178.192 0.408 18989 10869 1 15 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.854 -0.854 18989 10870 1 15 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.424 -0.024 18989 10871 1 15 . 1 1 134 134 ARG N N 134 122.500 122.500 120.425 2.075 18989 10872 1 15 . 1 1 134 134 ARG HA H 134 3.610 3.610 3.897 -0.286 18989 10873 1 15 . 1 1 134 134 ARG C C 134 177.600 177.600 178.448 -0.848 18989 10874 1 15 . 1 1 134 134 ARG CA C 134 59.400 59.400 58.985 0.415 18989 10875 1 15 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.132 0.868 18989 10876 1 15 . 1 1 135 135 LEU N N 135 118.200 118.200 118.947 -0.747 18989 10877 1 15 . 1 1 135 135 LEU HA H 135 3.810 3.810 4.146 -0.336 18989 10878 1 15 . 1 1 135 135 LEU C C 135 179.700 179.700 179.015 0.685 18989 10879 1 15 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.281 0.420 18989 10880 1 15 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.848 -0.448 18989 10881 1 15 . 1 1 136 136 ALA N N 136 120.400 120.400 121.088 -0.688 18989 10882 1 15 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.924 0.106 18989 10883 1 15 . 1 1 136 136 ALA C C 136 180.500 180.500 178.626 1.874 18989 10884 1 15 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.800 -0.099 18989 10885 1 15 . 1 1 136 136 ALA CB C 136 18.100 18.100 18.062 0.038 18989 10886 1 15 . 1 1 137 137 ALA N N 137 123.200 123.200 120.821 2.379 18989 10887 1 15 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.990 -0.090 18989 10888 1 15 . 1 1 137 137 ALA C C 137 178.700 178.700 179.102 -0.402 18989 10889 1 15 . 1 1 137 137 ALA CA C 137 55.300 55.300 53.997 1.303 18989 10890 1 15 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.883 -2.083 18989 10891 1 15 . 1 1 138 138 ILE N N 138 115.400 115.400 116.678 -1.278 18989 10892 1 15 . 1 1 138 138 ILE HA H 138 2.830 2.830 3.358 -0.528 18989 10893 1 15 . 1 1 138 138 ILE C C 138 177.800 177.800 177.408 0.392 18989 10894 1 15 . 1 1 138 138 ILE CA C 138 64.200 64.200 63.879 0.321 18989 10895 1 15 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.455 -0.055 18989 10896 1 15 . 1 1 139 139 THR N N 139 109.500 109.500 114.956 -5.456 18989 10897 1 15 . 1 1 139 139 THR HA H 139 4.150 4.150 4.217 -0.067 18989 10898 1 15 . 1 1 139 139 THR C C 139 177.300 177.300 176.794 0.506 18989 10899 1 15 . 1 1 139 139 THR CA C 139 64.000 64.000 65.787 -1.787 18989 10900 1 15 . 1 1 139 139 THR CB C 139 69.600 69.600 68.811 0.789 18989 10901 1 15 . 1 1 140 140 GLY N N 140 110.800 110.800 110.343 0.457 18989 10902 1 15 . 1 1 140 140 GLY C C 140 176.700 176.700 175.915 0.785 18989 10903 1 15 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.249 0.551 18989 10904 1 15 . 1 1 141 141 ILE N N 141 122.700 122.700 122.614 0.086 18989 10905 1 15 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.011 0.149 18989 10906 1 15 . 1 1 141 141 ILE CA C 141 68.300 68.300 67.231 1.069 18989 10907 1 15 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.112 0.188 18989 10908 1 15 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.554 -0.204 18989 10909 1 15 . 1 1 142 142 PRO C C 142 179.300 179.300 179.167 0.133 18989 10910 1 15 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.697 1.003 18989 10911 1 15 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.041 0.159 18989 10912 1 15 . 1 1 143 143 GLU N N 143 113.900 113.900 119.613 -5.713 18989 10913 1 15 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.012 0.158 18989 10914 1 15 . 1 1 143 143 GLU C C 143 179.600 179.600 178.685 0.915 18989 10915 1 15 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.760 -0.460 18989 10916 1 15 . 1 1 143 143 GLU CB C 143 30.000 30.000 29.306 0.694 18989 10917 1 15 . 1 1 144 144 THR N N 144 119.900 119.900 117.286 2.614 18989 10918 1 15 . 1 1 144 144 THR HA H 144 4.290 4.290 4.063 0.227 18989 10919 1 15 . 1 1 144 144 THR C C 144 175.800 175.800 176.858 -1.058 18989 10920 1 15 . 1 1 144 144 THR CA C 144 67.000 67.000 66.907 0.093 18989 10921 1 15 . 1 1 144 144 THR CB C 144 69.500 69.500 68.538 0.962 18989 10922 1 15 . 1 1 145 145 LEU N N 145 120.300 120.300 121.112 -0.812 18989 10923 1 15 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.040 -0.130 18989 10924 1 15 . 1 1 145 145 LEU C C 145 178.700 178.700 178.718 -0.018 18989 10925 1 15 . 1 1 145 145 LEU CA C 145 58.600 58.600 58.192 0.408 18989 10926 1 15 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.960 -0.460 18989 10927 1 15 . 1 1 146 146 VAL N N 146 117.600 117.600 118.694 -1.094 18989 10928 1 15 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.688 -0.008 18989 10929 1 15 . 1 1 146 146 VAL C C 146 177.700 177.700 177.685 0.015 18989 10930 1 15 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.524 -0.424 18989 10931 1 15 . 1 1 146 146 VAL CB C 146 32.000 32.000 31.005 0.995 18989 10932 1 15 . 1 1 147 147 ALA N N 147 123.600 123.600 123.393 0.207 18989 10933 1 15 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.034 0.196 18989 10934 1 15 . 1 1 147 147 ALA C C 147 180.400 180.400 179.762 0.638 18989 10935 1 15 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.360 0.240 18989 10936 1 15 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.008 0.792 18989 10937 1 15 . 1 1 148 148 ILE N N 148 119.600 119.600 118.919 0.681 18989 10938 1 15 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.581 -0.271 18989 10939 1 15 . 1 1 148 148 ILE C C 148 177.100 177.100 178.043 -0.943 18989 10940 1 15 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.231 1.069 18989 10941 1 15 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.758 0.442 18989 10942 1 15 . 1 1 149 149 GLN N N 149 119.200 119.200 119.657 -0.457 18989 10943 1 15 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.860 -0.190 18989 10944 1 15 . 1 1 149 149 GLN C C 149 178.000 178.000 177.874 0.126 18989 10945 1 15 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.318 0.782 18989 10946 1 15 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.716 0.884 18989 10947 1 15 . 1 1 150 150 ARG N N 150 120.500 120.500 120.009 0.491 18989 10948 1 15 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.167 -0.117 18989 10949 1 15 . 1 1 150 150 ARG C C 150 179.000 179.000 178.688 0.312 18989 10950 1 15 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.153 0.147 18989 10951 1 15 . 1 1 150 150 ARG CB C 150 30.000 30.000 30.199 -0.199 18989 10952 1 15 . 1 1 151 151 ILE N N 151 119.100 119.100 120.018 -0.918 18989 10953 1 15 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.734 -0.084 18989 10954 1 15 . 1 1 151 151 ILE C C 151 178.500 178.500 177.574 0.926 18989 10955 1 15 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.653 0.648 18989 10956 1 15 . 1 1 151 151 ILE CB C 151 39.000 39.000 37.991 1.009 18989 10957 1 15 . 1 1 152 152 LEU N N 152 117.100 117.100 119.277 -2.177 18989 10958 1 15 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.834 0.246 18989 10959 1 15 . 1 1 152 152 LEU C C 152 178.700 178.700 178.895 -0.195 18989 10960 1 15 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.739 -0.739 18989 10961 1 15 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.662 1.238 18989 10962 1 15 . 1 1 153 153 GLU N N 153 117.800 117.800 119.060 -1.260 18989 10963 1 15 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.950 0.220 18989 10964 1 15 . 1 1 153 153 GLU C C 153 178.300 178.300 179.267 -0.967 18989 10965 1 15 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.450 -0.750 18989 10966 1 15 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.604 -0.304 18989 10967 1 15 . 1 1 154 154 VAL N N 154 119.500 119.500 117.637 1.863 18989 10968 1 15 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.725 0.275 18989 10969 1 15 . 1 1 154 154 VAL C C 154 177.500 177.500 177.076 0.424 18989 10970 1 15 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.139 -1.440 18989 10971 1 15 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.446 0.754 18989 10972 1 15 . 1 1 155 155 GLU N N 155 121.300 121.300 117.318 3.982 18989 10973 1 15 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.028 0.152 18989 10974 1 15 . 1 1 155 155 GLU C C 155 177.600 177.600 177.549 0.051 18989 10975 1 15 . 1 1 155 155 GLU CA C 155 58.000 58.000 57.252 0.748 18989 10976 1 15 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.866 -0.166 18989 10977 1 15 . 1 1 156 156 LEU N N 156 120.800 120.800 118.449 2.351 18989 10978 1 15 . 1 1 156 156 LEU HA H 156 4.230 4.230 3.974 0.256 18989 10979 1 15 . 1 1 156 156 LEU C C 156 178.000 178.000 177.909 0.091 18989 10980 1 15 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.477 -1.277 18989 10981 1 15 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.893 -0.593 18989 10982 1 15 . 1 1 157 157 GLU N N 157 119.700 119.700 113.158 6.542 18989 10983 1 15 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.546 -0.416 18989 10984 1 15 . 1 1 157 157 GLU C C 157 177.000 177.000 176.322 0.678 18989 10985 1 15 . 1 1 157 157 GLU CA C 157 57.400 57.400 56.624 0.776 18989 10986 1 15 . 1 1 157 157 GLU CB C 157 29.800 29.800 32.238 -2.438 18989 10987 1 15 . 1 1 158 158 HIS N N 158 117.700 117.700 119.988 -2.288 18989 10988 1 15 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.428 0.202 18989 10989 1 15 . 1 1 158 158 HIS C C 158 173.900 173.900 174.392 -0.492 18989 10990 1 15 . 1 1 158 158 HIS CA C 158 56.000 56.000 57.151 -1.151 18989 10991 1 15 . 1 1 158 158 HIS CB C 158 30.000 30.000 27.806 2.194 18989 10992 1 15 . 1 1 159 159 HIS N N 159 125.200 125.200 110.156 15.044 18989 10993 1 15 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.161 0.279 18989 10994 1 15 . 1 1 159 159 HIS CA C 159 57.300 57.300 57.417 -0.117 18989 10995 1 15 . 1 1 159 159 HIS CB C 159 28.800 28.800 28.294 0.506 18989 10996 1 16 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.623 -0.223 18989 10997 1 16 . 1 1 2 2 PRO CA C 2 62.400 62.400 62.529 -0.129 18989 10998 1 16 . 1 1 2 2 PRO CB C 2 32.800 32.800 32.522 0.278 18989 10999 1 16 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.178 0.302 18989 11000 1 16 . 1 1 3 3 LYS C C 3 176.600 176.600 176.738 -0.138 18989 11001 1 16 . 1 1 3 3 LYS CA C 3 55.900 55.900 56.043 -0.143 18989 11002 1 16 . 1 1 3 3 LYS CB C 3 34.200 34.200 31.547 2.653 18989 11003 1 16 . 1 1 4 4 SER N N 4 117.800 117.800 117.634 0.166 18989 11004 1 16 . 1 1 4 4 SER HA H 4 4.220 4.220 4.079 0.141 18989 11005 1 16 . 1 1 4 4 SER C C 4 174.100 174.100 174.073 0.027 18989 11006 1 16 . 1 1 4 4 SER CA C 4 59.700 59.700 60.985 -1.285 18989 11007 1 16 . 1 1 4 4 SER CB C 4 63.700 63.700 62.090 1.610 18989 11008 1 16 . 1 1 5 5 LEU N N 5 124.700 124.700 121.897 2.803 18989 11009 1 16 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.714 0.086 18989 11010 1 16 . 1 1 5 5 LEU C C 5 175.500 175.500 174.475 1.025 18989 11011 1 16 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.859 -0.860 18989 11012 1 16 . 1 1 5 5 LEU CB C 5 43.200 43.200 44.663 -1.463 18989 11013 1 16 . 1 1 6 6 THR N N 6 111.200 111.200 116.929 -5.729 18989 11014 1 16 . 1 1 6 6 THR HA H 6 5.620 5.620 4.967 0.653 18989 11015 1 16 . 1 1 6 6 THR C C 6 174.500 174.500 172.555 1.945 18989 11016 1 16 . 1 1 6 6 THR CA C 6 59.700 59.700 60.859 -1.159 18989 11017 1 16 . 1 1 6 6 THR CB C 6 73.000 73.000 70.569 2.431 18989 11018 1 16 . 1 1 7 7 PHE N N 7 120.700 120.700 125.011 -4.311 18989 11019 1 16 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.967 -0.217 18989 11020 1 16 . 1 1 7 7 PHE C C 7 172.100 172.100 172.770 -0.670 18989 11021 1 16 . 1 1 7 7 PHE CA C 7 59.300 59.300 56.971 2.329 18989 11022 1 16 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.440 0.060 18989 11023 1 16 . 1 1 8 8 GLU N N 8 122.100 122.100 123.699 -1.599 18989 11024 1 16 . 1 1 8 8 GLU HA H 8 5.380 5.380 4.821 0.559 18989 11025 1 16 . 1 1 8 8 GLU C C 8 172.500 172.500 174.073 -1.573 18989 11026 1 16 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.292 0.208 18989 11027 1 16 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.611 -0.111 18989 11028 1 16 . 1 1 9 9 ASP N N 9 117.400 117.400 120.319 -2.919 18989 11029 1 16 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.778 0.042 18989 11030 1 16 . 1 1 9 9 ASP C C 9 173.500 173.500 173.847 -0.347 18989 11031 1 16 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.727 -0.627 18989 11032 1 16 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.328 0.772 18989 11033 1 16 . 1 1 10 10 SER N N 10 113.600 113.600 119.033 -5.433 18989 11034 1 16 . 1 1 10 10 SER HA H 10 5.990 5.990 5.684 0.306 18989 11035 1 16 . 1 1 10 10 SER C C 10 172.600 172.600 173.263 -0.663 18989 11036 1 16 . 1 1 10 10 SER CA C 10 57.300 57.300 56.734 0.566 18989 11037 1 16 . 1 1 10 10 SER CB C 10 68.100 68.100 66.174 1.926 18989 11038 1 16 . 1 1 11 11 ILE N N 11 122.700 122.700 124.295 -1.595 18989 11039 1 16 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.412 0.108 18989 11040 1 16 . 1 1 11 11 ILE C C 11 171.300 171.300 173.673 -2.373 18989 11041 1 16 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.214 0.786 18989 11042 1 16 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.235 1.165 18989 11043 1 16 . 1 1 12 12 ASN N N 12 124.600 124.600 125.482 -0.882 18989 11044 1 16 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.843 0.437 18989 11045 1 16 . 1 1 12 12 ASN C C 12 174.700 174.700 174.597 0.103 18989 11046 1 16 . 1 1 12 12 ASN CA C 12 52.300 52.300 53.220 -0.920 18989 11047 1 16 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.964 -0.364 18989 11048 1 16 . 1 1 13 13 ILE N N 13 122.900 122.900 123.301 -0.401 18989 11049 1 16 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.507 -0.057 18989 11050 1 16 . 1 1 13 13 ILE C C 13 175.300 175.300 175.646 -0.346 18989 11051 1 16 . 1 1 13 13 ILE CA C 13 60.300 60.300 59.831 0.468 18989 11052 1 16 . 1 1 13 13 ILE CB C 13 41.600 41.600 40.671 0.929 18989 11053 1 16 . 1 1 14 14 ALA N N 14 136.600 136.600 128.202 8.398 18989 11054 1 16 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.596 0.104 18989 11055 1 16 . 1 1 14 14 ALA C C 14 175.100 175.100 176.925 -1.825 18989 11056 1 16 . 1 1 14 14 ALA CA C 14 51.000 51.000 52.477 -1.478 18989 11057 1 16 . 1 1 14 14 ALA CB C 14 16.300 16.300 19.165 -2.865 18989 11058 1 16 . 1 1 15 15 ALA N N 15 122.100 122.100 122.209 -0.109 18989 11059 1 16 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.653 0.107 18989 11060 1 16 . 1 1 15 15 ALA CA C 15 50.000 50.000 49.036 0.964 18989 11061 1 16 . 1 1 15 15 ALA CB C 15 21.100 21.100 19.059 2.041 18989 11062 1 16 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.358 0.252 18989 11063 1 16 . 1 1 16 16 PRO C C 16 179.200 179.200 177.804 1.396 18989 11064 1 16 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.863 -0.763 18989 11065 1 16 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.629 0.471 18989 11066 1 16 . 1 1 17 17 ILE N N 17 124.400 124.400 120.939 3.461 18989 11067 1 16 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.748 0.242 18989 11068 1 16 . 1 1 17 17 ILE C C 17 175.800 175.800 176.824 -1.024 18989 11069 1 16 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.651 1.049 18989 11070 1 16 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.269 0.431 18989 11071 1 16 . 1 1 18 18 ASN N N 18 117.200 117.200 118.161 -0.961 18989 11072 1 16 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.383 0.307 18989 11073 1 16 . 1 1 18 18 ASN C C 18 178.700 178.700 177.860 0.840 18989 11074 1 16 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.691 -0.891 18989 11075 1 16 . 1 1 18 18 ASN CB C 18 37.100 37.100 37.344 -0.244 18989 11076 1 16 . 1 1 19 19 GLN N N 19 120.300 120.300 119.691 0.609 18989 11077 1 16 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.056 0.064 18989 11078 1 16 . 1 1 19 19 GLN C C 19 178.500 178.500 178.350 0.150 18989 11079 1 16 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.639 -0.339 18989 11080 1 16 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.805 -0.505 18989 11081 1 16 . 1 1 20 20 VAL N N 20 120.300 120.300 120.424 -0.124 18989 11082 1 16 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.667 -0.217 18989 11083 1 16 . 1 1 20 20 VAL C C 20 177.500 177.500 177.754 -0.254 18989 11084 1 16 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.643 -0.443 18989 11085 1 16 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.533 -0.633 18989 11086 1 16 . 1 1 21 21 TYR N N 21 118.800 118.800 120.509 -1.709 18989 11087 1 16 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.029 -0.449 18989 11088 1 16 . 1 1 21 21 TYR C C 21 177.800 177.800 177.083 0.717 18989 11089 1 16 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.351 1.549 18989 11090 1 16 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.175 0.226 18989 11091 1 16 . 1 1 22 22 ALA N N 22 120.400 120.400 121.961 -1.561 18989 11092 1 16 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.912 -0.152 18989 11093 1 16 . 1 1 22 22 ALA C C 22 178.000 178.000 178.789 -0.789 18989 11094 1 16 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.417 0.283 18989 11095 1 16 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.477 0.023 18989 11096 1 16 . 1 1 23 23 LEU N N 23 116.400 116.400 116.524 -0.124 18989 11097 1 16 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.093 0.137 18989 11098 1 16 . 1 1 23 23 LEU C C 23 177.200 177.200 178.400 -1.200 18989 11099 1 16 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.190 1.810 18989 11100 1 16 . 1 1 23 23 LEU CB C 23 42.400 42.400 42.280 0.120 18989 11101 1 16 . 1 1 24 24 VAL N N 24 128.600 128.600 117.604 10.996 18989 11102 1 16 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.857 -0.497 18989 11103 1 16 . 1 1 24 24 VAL C C 24 175.200 175.200 176.020 -0.820 18989 11104 1 16 . 1 1 24 24 VAL CA C 24 64.300 64.300 63.973 0.327 18989 11105 1 16 . 1 1 24 24 VAL CB C 24 30.800 30.800 32.652 -1.852 18989 11106 1 16 . 1 1 25 25 SER N N 25 108.500 108.500 114.448 -5.948 18989 11107 1 16 . 1 1 25 25 SER HA H 25 2.520 2.520 4.167 -1.647 18989 11108 1 16 . 1 1 25 25 SER CA C 25 58.200 58.200 57.150 1.050 18989 11109 1 16 . 1 1 25 25 SER CB C 25 63.600 63.600 63.454 0.146 18989 11110 1 16 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.596 0.314 18989 11111 1 16 . 1 1 26 26 ASP C C 26 175.500 175.500 175.412 0.088 18989 11112 1 16 . 1 1 26 26 ASP CA C 26 51.200 51.200 54.744 -3.544 18989 11113 1 16 . 1 1 26 26 ASP CB C 26 38.100 38.100 41.965 -3.865 18989 11114 1 16 . 1 1 27 27 ILE N N 27 123.500 123.500 115.884 7.616 18989 11115 1 16 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.741 -1.351 18989 11116 1 16 . 1 1 27 27 ILE C C 27 178.900 178.900 175.643 3.257 18989 11117 1 16 . 1 1 27 27 ILE CA C 27 61.700 61.700 61.321 0.379 18989 11118 1 16 . 1 1 27 27 ILE CB C 27 36.600 36.600 38.830 -2.230 18989 11119 1 16 . 1 1 28 28 THR N N 28 112.500 112.500 119.523 -7.023 18989 11120 1 16 . 1 1 28 28 THR HA H 28 4.350 4.350 4.419 -0.069 18989 11121 1 16 . 1 1 28 28 THR C C 28 176.500 176.500 174.303 2.197 18989 11122 1 16 . 1 1 28 28 THR CA C 28 64.000 64.000 63.360 0.640 18989 11123 1 16 . 1 1 28 28 THR CB C 28 68.600 68.600 67.481 1.119 18989 11124 1 16 . 1 1 29 29 ARG N N 29 121.100 121.100 124.328 -3.228 18989 11125 1 16 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.895 -0.615 18989 11126 1 16 . 1 1 29 29 ARG CA C 29 56.200 56.200 54.309 1.891 18989 11127 1 16 . 1 1 29 29 ARG CB C 29 30.600 30.600 32.824 -2.224 18989 11128 1 16 . 1 1 30 30 THR HA H 30 5.870 5.870 4.288 1.582 18989 11129 1 16 . 1 1 30 30 THR C C 30 174.000 174.000 175.335 -1.335 18989 11130 1 16 . 1 1 30 30 THR CA C 30 66.000 66.000 63.862 2.138 18989 11131 1 16 . 1 1 30 30 THR CB C 30 69.400 69.400 69.556 -0.156 18989 11132 1 16 . 1 1 31 31 GLY N N 31 106.200 106.200 107.819 -1.619 18989 11133 1 16 . 1 1 31 31 GLY C C 31 175.200 175.200 174.348 0.852 18989 11134 1 16 . 1 1 31 31 GLY CA C 31 46.200 46.200 44.767 1.433 18989 11135 1 16 . 1 1 32 32 GLU N N 32 118.400 118.400 118.867 -0.467 18989 11136 1 16 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.207 -0.237 18989 11137 1 16 . 1 1 32 32 GLU C C 32 177.500 177.500 177.246 0.254 18989 11138 1 16 . 1 1 32 32 GLU CA C 32 58.800 58.800 58.726 0.074 18989 11139 1 16 . 1 1 32 32 GLU CB C 32 29.800 29.800 29.606 0.194 18989 11140 1 16 . 1 1 33 33 TRP N N 33 113.200 113.200 117.342 -4.142 18989 11141 1 16 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.767 0.173 18989 11142 1 16 . 1 1 33 33 TRP C C 33 175.300 175.300 175.739 -0.439 18989 11143 1 16 . 1 1 33 33 TRP CA C 33 56.400 56.400 55.825 0.576 18989 11144 1 16 . 1 1 33 33 TRP CB C 33 30.600 30.600 29.219 1.381 18989 11145 1 16 . 1 1 34 34 SER N N 34 118.600 118.600 116.356 2.244 18989 11146 1 16 . 1 1 34 34 SER HA H 34 4.930 4.930 4.621 0.309 18989 11147 1 16 . 1 1 34 34 SER CA C 34 54.700 54.700 54.951 -0.251 18989 11148 1 16 . 1 1 34 34 SER CB C 34 63.000 63.000 63.981 -0.981 18989 11149 1 16 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.485 -0.025 18989 11150 1 16 . 1 1 35 35 PRO C C 35 177.100 177.100 177.136 -0.036 18989 11151 1 16 . 1 1 35 35 PRO CA C 35 64.500 64.500 63.703 0.797 18989 11152 1 16 . 1 1 35 35 PRO CB C 35 32.300 32.300 32.136 0.164 18989 11153 1 16 . 1 1 36 36 VAL N N 36 113.900 113.900 111.375 2.525 18989 11154 1 16 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.179 -0.079 18989 11155 1 16 . 1 1 36 36 VAL C C 36 174.200 174.200 176.202 -2.002 18989 11156 1 16 . 1 1 36 36 VAL CA C 36 62.900 62.900 61.285 1.615 18989 11157 1 16 . 1 1 36 36 VAL CB C 36 32.500 32.500 30.985 1.515 18989 11158 1 16 . 1 1 37 37 CYS N N 37 121.000 121.000 121.559 -0.559 18989 11159 1 16 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.299 0.161 18989 11160 1 16 . 1 1 37 37 CYS C C 37 173.600 173.600 174.878 -1.278 18989 11161 1 16 . 1 1 37 37 CYS CA C 37 58.500 58.500 59.299 -0.799 18989 11162 1 16 . 1 1 37 37 CYS CB C 37 27.000 27.000 27.053 -0.053 18989 11163 1 16 . 1 1 38 38 GLU N N 38 129.300 129.300 129.553 -0.253 18989 11164 1 16 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.422 -0.282 18989 11165 1 16 . 1 1 38 38 GLU C C 38 176.500 176.500 176.220 0.280 18989 11166 1 16 . 1 1 38 38 GLU CA C 38 57.900 57.900 57.667 0.233 18989 11167 1 16 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.495 1.305 18989 11168 1 16 . 1 1 39 39 LYS N N 39 117.100 117.100 118.363 -1.263 18989 11169 1 16 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.515 -0.045 18989 11170 1 16 . 1 1 39 39 LYS C C 39 173.600 173.600 174.194 -0.594 18989 11171 1 16 . 1 1 39 39 LYS CA C 39 55.800 55.800 56.092 -0.292 18989 11172 1 16 . 1 1 39 39 LYS CB C 39 36.500 36.500 34.629 1.871 18989 11173 1 16 . 1 1 40 40 CYS N N 40 125.100 125.100 124.225 0.875 18989 11174 1 16 . 1 1 40 40 CYS HA H 40 5.410 5.410 4.598 0.812 18989 11175 1 16 . 1 1 40 40 CYS C C 40 173.000 173.000 172.722 0.278 18989 11176 1 16 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.794 -0.694 18989 11177 1 16 . 1 1 40 40 CYS CB C 40 30.100 30.100 28.879 1.221 18989 11178 1 16 . 1 1 41 41 TRP N N 41 124.300 124.300 127.166 -2.866 18989 11179 1 16 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.839 -0.009 18989 11180 1 16 . 1 1 41 41 TRP C C 41 174.100 174.100 173.460 0.640 18989 11181 1 16 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.443 -0.143 18989 11182 1 16 . 1 1 41 41 TRP CB C 41 32.400 32.400 32.428 -0.028 18989 11183 1 16 . 1 1 42 42 TRP N N 42 123.700 123.700 127.469 -3.769 18989 11184 1 16 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.865 -0.035 18989 11185 1 16 . 1 1 42 42 TRP C C 42 178.200 178.200 176.696 1.504 18989 11186 1 16 . 1 1 42 42 TRP CA C 42 57.000 57.000 55.438 1.562 18989 11187 1 16 . 1 1 42 42 TRP CB C 42 31.600 31.600 31.617 -0.017 18989 11188 1 16 . 1 1 43 43 ASP N N 43 124.400 124.400 123.514 0.886 18989 11189 1 16 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.414 0.266 18989 11190 1 16 . 1 1 43 43 ASP C C 43 176.300 176.300 176.897 -0.597 18989 11191 1 16 . 1 1 43 43 ASP CA C 43 56.300 56.300 56.780 -0.480 18989 11192 1 16 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.732 -0.432 18989 11193 1 16 . 1 1 44 44 GLU N N 44 119.400 119.400 117.919 1.481 18989 11194 1 16 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.162 0.108 18989 11195 1 16 . 1 1 44 44 GLU C C 44 176.500 176.500 177.516 -1.016 18989 11196 1 16 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.243 -0.643 18989 11197 1 16 . 1 1 44 44 GLU CB C 44 30.200 30.200 28.478 1.722 18989 11198 1 16 . 1 1 45 45 ASP N N 45 118.300 118.300 119.144 -0.844 18989 11199 1 16 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.401 0.079 18989 11200 1 16 . 1 1 45 45 ASP C C 45 175.900 175.900 177.486 -1.586 18989 11201 1 16 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.293 -0.293 18989 11202 1 16 . 1 1 45 45 ASP CB C 45 40.200 40.200 41.053 -0.853 18989 11203 1 16 . 1 1 46 46 GLU N N 46 118.200 118.200 117.186 1.014 18989 11204 1 16 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.429 0.031 18989 11205 1 16 . 1 1 46 46 GLU C C 46 175.200 175.200 176.903 -1.703 18989 11206 1 16 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.427 0.173 18989 11207 1 16 . 1 1 46 46 GLU CB C 46 30.800 30.800 31.417 -0.617 18989 11208 1 16 . 1 1 47 47 GLY N N 47 106.400 106.400 109.007 -2.607 18989 11209 1 16 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.852 -1.252 18989 11210 1 16 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.703 -0.113 18989 11211 1 16 . 1 1 48 48 PRO C C 48 173.400 173.400 175.943 -2.543 18989 11212 1 16 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.519 0.581 18989 11213 1 16 . 1 1 48 48 PRO CB C 48 29.100 29.100 31.357 -2.257 18989 11214 1 16 . 1 1 49 49 VAL N N 49 121.900 121.900 118.330 3.570 18989 11215 1 16 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.690 -0.080 18989 11216 1 16 . 1 1 49 49 VAL C C 49 175.100 175.100 175.533 -0.433 18989 11217 1 16 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.483 0.817 18989 11218 1 16 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.637 0.863 18989 11219 1 16 . 1 1 50 50 VAL N N 50 121.700 121.700 122.812 -1.112 18989 11220 1 16 . 1 1 50 50 VAL HA H 50 3.300 3.300 4.075 -0.775 18989 11221 1 16 . 1 1 50 50 VAL C C 50 177.400 177.400 177.070 0.330 18989 11222 1 16 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.875 2.325 18989 11223 1 16 . 1 1 50 50 VAL CB C 50 31.300 31.300 30.420 0.880 18989 11224 1 16 . 1 1 51 51 GLY N N 51 115.800 115.800 116.860 -1.060 18989 11225 1 16 . 1 1 51 51 GLY C C 51 174.200 174.200 174.082 0.118 18989 11226 1 16 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.752 -0.152 18989 11227 1 16 . 1 1 52 52 ALA N N 52 123.000 123.000 125.093 -2.093 18989 11228 1 16 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.506 0.044 18989 11229 1 16 . 1 1 52 52 ALA C C 52 177.300 177.300 175.821 1.479 18989 11230 1 16 . 1 1 52 52 ALA CA C 52 52.800 52.800 53.067 -0.267 18989 11231 1 16 . 1 1 52 52 ALA CB C 52 23.100 23.100 19.968 3.132 18989 11232 1 16 . 1 1 53 53 HIS N N 53 115.900 115.900 116.351 -0.451 18989 11233 1 16 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.982 0.038 18989 11234 1 16 . 1 1 53 53 HIS C C 53 174.200 174.200 173.531 0.669 18989 11235 1 16 . 1 1 53 53 HIS CA C 53 55.200 55.200 53.614 1.586 18989 11236 1 16 . 1 1 53 53 HIS CB C 53 32.100 32.100 32.094 0.006 18989 11237 1 16 . 1 1 54 54 PHE N N 54 115.800 115.800 122.187 -6.387 18989 11238 1 16 . 1 1 54 54 PHE HA H 54 5.150 5.150 4.764 0.386 18989 11239 1 16 . 1 1 54 54 PHE C C 54 172.600 172.600 174.082 -1.482 18989 11240 1 16 . 1 1 54 54 PHE CA C 54 55.500 55.500 56.893 -1.393 18989 11241 1 16 . 1 1 54 54 PHE CB C 54 41.700 41.700 44.367 -2.667 18989 11242 1 16 . 1 1 55 55 THR N N 55 118.300 118.300 116.289 2.011 18989 11243 1 16 . 1 1 55 55 THR HA H 55 4.770 4.770 4.844 -0.074 18989 11244 1 16 . 1 1 55 55 THR C C 55 171.800 171.800 174.097 -2.297 18989 11245 1 16 . 1 1 55 55 THR CA C 55 61.000 61.000 61.092 -0.092 18989 11246 1 16 . 1 1 55 55 THR CB C 55 70.200 70.200 70.214 -0.014 18989 11247 1 16 . 1 1 56 56 GLY N N 56 110.500 110.500 109.562 0.938 18989 11248 1 16 . 1 1 56 56 GLY C C 56 171.100 171.100 172.338 -1.238 18989 11249 1 16 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.787 -0.487 18989 11250 1 16 . 1 1 57 57 ARG N N 57 123.800 123.800 119.791 4.009 18989 11251 1 16 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.615 0.045 18989 11252 1 16 . 1 1 57 57 ARG C C 57 172.900 172.900 174.436 -1.536 18989 11253 1 16 . 1 1 57 57 ARG CA C 57 55.300 55.300 54.869 0.431 18989 11254 1 16 . 1 1 57 57 ARG CB C 57 32.500 32.500 32.495 0.005 18989 11255 1 16 . 1 1 58 58 ASN N N 58 127.200 127.200 124.946 2.254 18989 11256 1 16 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.291 -0.231 18989 11257 1 16 . 1 1 58 58 ASN C C 58 173.100 173.100 174.082 -0.982 18989 11258 1 16 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.130 -1.230 18989 11259 1 16 . 1 1 58 58 ASN CB C 58 38.800 38.800 40.103 -1.304 18989 11260 1 16 . 1 1 59 59 VAL N N 59 121.400 121.400 123.220 -1.820 18989 11261 1 16 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.967 -0.287 18989 11262 1 16 . 1 1 59 59 VAL C C 59 175.100 175.100 174.265 0.835 18989 11263 1 16 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.114 2.286 18989 11264 1 16 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.979 0.821 18989 11265 1 16 . 1 1 60 60 THR N N 60 118.000 118.000 117.982 0.018 18989 11266 1 16 . 1 1 60 60 THR HA H 60 5.000 5.000 5.002 -0.002 18989 11267 1 16 . 1 1 60 60 THR CA C 60 58.900 58.900 58.504 0.396 18989 11268 1 16 . 1 1 60 60 THR CB C 60 70.200 70.200 69.941 0.259 18989 11269 1 16 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.314 -0.034 18989 11270 1 16 . 1 1 61 61 PRO C C 61 177.700 177.700 176.949 0.751 18989 11271 1 16 . 1 1 61 61 PRO CA C 61 65.500 65.500 65.205 0.295 18989 11272 1 16 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.792 0.008 18989 11273 1 16 . 1 1 62 62 GLU N N 62 111.700 111.700 114.709 -3.009 18989 11274 1 16 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.365 -0.085 18989 11275 1 16 . 1 1 62 62 GLU C C 62 176.500 176.500 176.309 0.191 18989 11276 1 16 . 1 1 62 62 GLU CA C 62 57.600 57.600 55.817 1.783 18989 11277 1 16 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.350 0.650 18989 11278 1 16 . 1 1 63 63 ARG N N 63 118.000 118.000 121.326 -3.326 18989 11279 1 16 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.667 0.023 18989 11280 1 16 . 1 1 63 63 ARG C C 63 174.000 174.000 174.472 -0.472 18989 11281 1 16 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.716 0.984 18989 11282 1 16 . 1 1 63 63 ARG CB C 63 33.700 33.700 32.677 1.023 18989 11283 1 16 . 1 1 64 64 THR N N 64 120.700 120.700 123.058 -2.358 18989 11284 1 16 . 1 1 64 64 THR HA H 64 5.780 5.780 4.960 0.820 18989 11285 1 16 . 1 1 64 64 THR C C 64 174.000 174.000 173.350 0.650 18989 11286 1 16 . 1 1 64 64 THR CA C 64 61.600 61.600 61.884 -0.284 18989 11287 1 16 . 1 1 64 64 THR CB C 64 71.700 71.700 69.999 1.701 18989 11288 1 16 . 1 1 65 65 TRP N N 65 128.000 128.000 128.415 -0.415 18989 11289 1 16 . 1 1 65 65 TRP HA H 65 5.170 5.170 5.026 0.144 18989 11290 1 16 . 1 1 65 65 TRP C C 65 172.800 172.800 173.339 -0.539 18989 11291 1 16 . 1 1 65 65 TRP CA C 65 57.300 57.300 56.731 0.569 18989 11292 1 16 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.440 -0.540 18989 11293 1 16 . 1 1 66 66 GLU N N 66 120.800 120.800 127.729 -6.929 18989 11294 1 16 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.275 1.315 18989 11295 1 16 . 1 1 66 66 GLU C C 66 177.300 177.300 175.105 2.195 18989 11296 1 16 . 1 1 66 66 GLU CA C 66 54.200 54.200 55.540 -1.340 18989 11297 1 16 . 1 1 66 66 GLU CB C 66 32.700 32.700 30.109 2.591 18989 11298 1 16 . 1 1 67 67 THR N N 67 113.700 113.700 117.808 -4.108 18989 11299 1 16 . 1 1 67 67 THR HA H 67 4.750 4.750 4.855 -0.105 18989 11300 1 16 . 1 1 67 67 THR C C 67 173.300 173.300 174.140 -0.840 18989 11301 1 16 . 1 1 67 67 THR CA C 67 59.500 59.500 60.399 -0.899 18989 11302 1 16 . 1 1 67 67 THR CB C 67 71.500 71.500 70.369 1.131 18989 11303 1 16 . 1 1 68 68 ARG N N 68 125.300 125.300 126.674 -1.374 18989 11304 1 16 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.934 -0.074 18989 11305 1 16 . 1 1 68 68 ARG C C 68 175.700 175.700 175.654 0.046 18989 11306 1 16 . 1 1 68 68 ARG CA C 68 55.000 55.000 54.805 0.195 18989 11307 1 16 . 1 1 68 68 ARG CB C 68 31.700 31.700 31.171 0.529 18989 11308 1 16 . 1 1 69 69 SER N N 69 122.000 122.000 121.952 0.048 18989 11309 1 16 . 1 1 69 69 SER HA H 69 5.570 5.570 5.281 0.289 18989 11310 1 16 . 1 1 69 69 SER C C 69 172.200 172.200 173.258 -1.058 18989 11311 1 16 . 1 1 69 69 SER CA C 69 58.000 58.000 58.515 -0.515 18989 11312 1 16 . 1 1 69 69 SER CB C 69 66.700 66.700 64.549 2.151 18989 11313 1 16 . 1 1 70 70 GLU N N 70 121.900 121.900 128.285 -6.385 18989 11314 1 16 . 1 1 70 70 GLU HA H 70 5.200 5.200 5.256 -0.056 18989 11315 1 16 . 1 1 70 70 GLU C C 70 176.000 176.000 176.214 -0.214 18989 11316 1 16 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.390 -0.790 18989 11317 1 16 . 1 1 70 70 GLU CB C 70 34.700 34.700 32.659 2.041 18989 11318 1 16 . 1 1 71 71 VAL N N 71 126.600 126.600 128.797 -2.197 18989 11319 1 16 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.428 -0.178 18989 11320 1 16 . 1 1 71 71 VAL C C 71 177.600 177.600 176.628 0.972 18989 11321 1 16 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.787 1.013 18989 11322 1 16 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.022 1.178 18989 11323 1 16 . 1 1 72 72 ILE N N 72 123.200 123.200 126.115 -2.915 18989 11324 1 16 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.372 0.358 18989 11325 1 16 . 1 1 72 72 ILE C C 72 175.200 175.200 175.878 -0.678 18989 11326 1 16 . 1 1 72 72 ILE CA C 72 62.000 62.000 63.051 -1.051 18989 11327 1 16 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.736 0.864 18989 11328 1 16 . 1 1 73 73 VAL N N 73 121.700 121.700 120.384 1.316 18989 11329 1 16 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.409 -0.209 18989 11330 1 16 . 1 1 73 73 VAL C C 73 172.000 172.000 173.577 -1.577 18989 11331 1 16 . 1 1 73 73 VAL CA C 73 62.100 62.100 60.997 1.103 18989 11332 1 16 . 1 1 73 73 VAL CB C 73 34.700 34.700 36.191 -1.492 18989 11333 1 16 . 1 1 74 74 ALA N N 74 131.100 131.100 129.981 1.119 18989 11334 1 16 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.063 0.257 18989 11335 1 16 . 1 1 74 74 ALA C C 74 174.900 174.900 175.626 -0.726 18989 11336 1 16 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.237 1.463 18989 11337 1 16 . 1 1 74 74 ALA CB C 74 18.300 18.300 21.616 -3.316 18989 11338 1 16 . 1 1 75 75 GLU N N 75 126.100 126.100 123.067 3.033 18989 11339 1 16 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.688 0.282 18989 11340 1 16 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.317 -0.217 18989 11341 1 16 . 1 1 75 75 GLU CB C 75 31.300 31.300 31.505 -0.205 18989 11342 1 16 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.346 -1.726 18989 11343 1 16 . 1 1 76 76 PRO CA C 76 63.900 63.900 63.715 0.185 18989 11344 1 16 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.149 0.751 18989 11345 1 16 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.505 -0.745 18989 11346 1 16 . 1 1 77 77 ASN C C 77 172.700 172.700 173.980 -1.280 18989 11347 1 16 . 1 1 77 77 ASN CA C 77 55.100 55.100 54.309 0.791 18989 11348 1 16 . 1 1 77 77 ASN CB C 77 36.900 36.900 37.362 -0.462 18989 11349 1 16 . 1 1 78 78 ARG N N 78 115.300 115.300 115.825 -0.525 18989 11350 1 16 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.840 0.060 18989 11351 1 16 . 1 1 78 78 ARG C C 78 176.000 176.000 174.502 1.498 18989 11352 1 16 . 1 1 78 78 ARG CA C 78 58.300 58.300 57.071 1.229 18989 11353 1 16 . 1 1 78 78 ARG CB C 78 34.000 34.000 32.893 1.107 18989 11354 1 16 . 1 1 79 79 CYS N N 79 117.700 117.700 118.166 -0.466 18989 11355 1 16 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.124 0.546 18989 11356 1 16 . 1 1 79 79 CYS C C 79 172.200 172.200 172.695 -0.495 18989 11357 1 16 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.557 -0.357 18989 11358 1 16 . 1 1 79 79 CYS CB C 79 29.500 29.500 30.696 -1.196 18989 11359 1 16 . 1 1 80 80 PHE N N 80 129.500 129.500 124.080 5.420 18989 11360 1 16 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.413 0.107 18989 11361 1 16 . 1 1 80 80 PHE C C 80 173.400 173.400 175.968 -2.568 18989 11362 1 16 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.694 1.206 18989 11363 1 16 . 1 1 80 80 PHE CB C 80 43.800 43.800 41.357 2.443 18989 11364 1 16 . 1 1 81 81 GLY N N 81 114.500 114.500 112.893 1.607 18989 11365 1 16 . 1 1 81 81 GLY C C 81 171.900 171.900 172.854 -0.954 18989 11366 1 16 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.240 2.360 18989 11367 1 16 . 1 1 82 82 TRP N N 82 121.700 121.700 123.320 -1.620 18989 11368 1 16 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.698 0.092 18989 11369 1 16 . 1 1 82 82 TRP C C 82 171.500 171.500 174.098 -2.598 18989 11370 1 16 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.074 3.326 18989 11371 1 16 . 1 1 82 82 TRP CB C 82 33.900 33.900 31.543 2.357 18989 11372 1 16 . 1 1 83 83 SER N N 83 113.600 113.600 117.645 -4.045 18989 11373 1 16 . 1 1 83 83 SER HA H 83 5.680 5.680 5.136 0.544 18989 11374 1 16 . 1 1 83 83 SER C C 83 174.500 174.500 174.933 -0.433 18989 11375 1 16 . 1 1 83 83 SER CA C 83 54.800 54.800 56.079 -1.279 18989 11376 1 16 . 1 1 83 83 SER CB C 83 66.700 66.700 64.474 2.226 18989 11377 1 16 . 1 1 84 84 VAL N N 84 125.400 125.400 129.846 -4.446 18989 11378 1 16 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.582 0.268 18989 11379 1 16 . 1 1 84 84 VAL C C 84 176.500 176.500 176.993 -0.493 18989 11380 1 16 . 1 1 84 84 VAL CA C 84 61.400 61.400 63.624 -2.224 18989 11381 1 16 . 1 1 84 84 VAL CB C 84 34.600 34.600 30.638 3.962 18989 11382 1 16 . 1 1 85 85 THR N N 85 120.300 120.300 120.877 -0.577 18989 11383 1 16 . 1 1 85 85 THR HA H 85 3.720 3.720 4.087 -0.367 18989 11384 1 16 . 1 1 85 85 THR C C 85 173.500 173.500 173.924 -0.424 18989 11385 1 16 . 1 1 85 85 THR CA C 85 62.900 62.900 66.050 -3.151 18989 11386 1 16 . 1 1 85 85 THR CB C 85 66.600 66.600 68.534 -1.934 18989 11387 1 16 . 1 1 86 86 ASP N N 86 119.000 119.000 124.099 -5.099 18989 11388 1 16 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.635 -0.415 18989 11389 1 16 . 1 1 86 86 ASP C C 86 177.100 177.100 175.854 1.246 18989 11390 1 16 . 1 1 86 86 ASP CA C 86 54.700 54.700 54.884 -0.184 18989 11391 1 16 . 1 1 86 86 ASP CB C 86 39.700 39.700 41.304 -1.605 18989 11392 1 16 . 1 1 87 87 GLY N N 87 103.400 103.400 114.212 -10.812 18989 11393 1 16 . 1 1 87 87 GLY C C 87 175.000 175.000 173.295 1.705 18989 11394 1 16 . 1 1 87 87 GLY CA C 87 45.600 45.600 46.131 -0.531 18989 11395 1 16 . 1 1 88 88 ASN N N 88 122.300 122.300 118.865 3.435 18989 11396 1 16 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.451 -0.341 18989 11397 1 16 . 1 1 88 88 ASN C C 88 174.500 174.500 174.041 0.459 18989 11398 1 16 . 1 1 88 88 ASN CA C 88 55.600 55.600 53.979 1.621 18989 11399 1 16 . 1 1 88 88 ASN CB C 88 38.200 38.200 40.569 -2.369 18989 11400 1 16 . 1 1 89 89 VAL N N 89 115.700 115.700 117.860 -2.160 18989 11401 1 16 . 1 1 89 89 VAL HA H 89 4.830 4.830 3.967 0.863 18989 11402 1 16 . 1 1 89 89 VAL C C 89 174.700 174.700 174.167 0.533 18989 11403 1 16 . 1 1 89 89 VAL CA C 89 59.600 59.600 60.950 -1.350 18989 11404 1 16 . 1 1 89 89 VAL CB C 89 37.000 37.000 34.953 2.046 18989 11405 1 16 . 1 1 90 90 LYS N N 90 123.600 123.600 123.050 0.550 18989 11406 1 16 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.714 0.296 18989 11407 1 16 . 1 1 90 90 LYS C C 90 174.100 174.100 174.722 -0.622 18989 11408 1 16 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.186 -0.286 18989 11409 1 16 . 1 1 90 90 LYS CB C 90 36.300 36.300 35.042 1.258 18989 11410 1 16 . 1 1 91 91 TRP N N 91 124.600 124.600 126.265 -1.665 18989 11411 1 16 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.818 0.282 18989 11412 1 16 . 1 1 91 91 TRP C C 91 174.600 174.600 175.242 -0.642 18989 11413 1 16 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.586 -0.685 18989 11414 1 16 . 1 1 91 91 TRP CB C 91 30.800 30.800 30.110 0.690 18989 11415 1 16 . 1 1 92 92 ILE N N 92 118.000 118.000 124.086 -6.086 18989 11416 1 16 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.407 0.153 18989 11417 1 16 . 1 1 92 92 ILE C C 92 176.300 176.300 174.704 1.596 18989 11418 1 16 . 1 1 92 92 ILE CA C 92 60.800 60.800 58.696 2.104 18989 11419 1 16 . 1 1 92 92 ILE CB C 92 42.100 42.100 37.518 4.582 18989 11420 1 16 . 1 1 93 93 TYR N N 93 127.700 127.700 128.010 -0.310 18989 11421 1 16 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.503 0.347 18989 11422 1 16 . 1 1 93 93 TYR C C 93 175.300 175.300 176.291 -0.991 18989 11423 1 16 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.732 0.368 18989 11424 1 16 . 1 1 93 93 TYR CB C 93 40.800 40.800 42.117 -1.317 18989 11425 1 16 . 1 1 94 94 SER N N 94 117.900 117.900 117.231 0.669 18989 11426 1 16 . 1 1 94 94 SER HA H 94 5.510 5.510 5.428 0.082 18989 11427 1 16 . 1 1 94 94 SER C C 94 172.700 172.700 173.332 -0.632 18989 11428 1 16 . 1 1 94 94 SER CA C 94 57.300 57.300 57.602 -0.302 18989 11429 1 16 . 1 1 94 94 SER CB C 94 65.600 65.600 65.957 -0.356 18989 11430 1 16 . 1 1 95 95 MET N N 95 119.600 119.600 123.347 -3.747 18989 11431 1 16 . 1 1 95 95 MET HA H 95 5.840 5.840 5.399 0.441 18989 11432 1 16 . 1 1 95 95 MET C C 95 173.800 173.800 175.004 -1.204 18989 11433 1 16 . 1 1 95 95 MET CA C 95 54.200 54.200 53.448 0.752 18989 11434 1 16 . 1 1 95 95 MET CB C 95 37.400 37.400 33.344 4.056 18989 11435 1 16 . 1 1 96 96 GLU N N 96 119.100 119.100 124.641 -5.541 18989 11436 1 16 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.885 0.085 18989 11437 1 16 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.186 -0.286 18989 11438 1 16 . 1 1 96 96 GLU CB C 96 33.000 33.000 31.200 1.800 18989 11439 1 16 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.449 0.371 18989 11440 1 16 . 1 1 97 97 PRO C C 97 176.300 176.300 176.104 0.196 18989 11441 1 16 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.781 0.319 18989 11442 1 16 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.561 1.139 18989 11443 1 16 . 1 1 98 98 LEU N N 98 122.900 122.900 125.264 -2.364 18989 11444 1 16 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.453 0.077 18989 11445 1 16 . 1 1 98 98 LEU C C 98 176.200 176.200 177.274 -1.074 18989 11446 1 16 . 1 1 98 98 LEU CA C 98 54.200 54.200 53.743 0.457 18989 11447 1 16 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.999 1.101 18989 11448 1 16 . 1 1 99 99 GLU N N 99 124.700 124.700 118.812 5.888 18989 11449 1 16 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.173 -0.313 18989 11450 1 16 . 1 1 99 99 GLU C C 99 176.900 176.900 177.172 -0.272 18989 11451 1 16 . 1 1 99 99 GLU CA C 99 59.500 59.500 57.754 1.746 18989 11452 1 16 . 1 1 99 99 GLU CB C 99 28.000 28.000 30.069 -2.069 18989 11453 1 16 . 1 1 100 100 GLU N N 100 118.200 118.200 118.033 0.167 18989 11454 1 16 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.310 0.120 18989 11455 1 16 . 1 1 100 100 GLU C C 100 176.200 176.200 176.774 -0.574 18989 11456 1 16 . 1 1 100 100 GLU CA C 100 56.400 56.400 57.003 -0.603 18989 11457 1 16 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.520 -0.620 18989 11458 1 16 . 1 1 101 101 GLY N N 101 110.100 110.100 107.044 3.056 18989 11459 1 16 . 1 1 101 101 GLY C C 101 174.100 174.100 172.922 1.178 18989 11460 1 16 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.257 -0.257 18989 11461 1 16 . 1 1 102 102 THR N N 102 120.200 120.200 117.314 2.886 18989 11462 1 16 . 1 1 102 102 THR HA H 102 4.850 4.850 5.090 -0.240 18989 11463 1 16 . 1 1 102 102 THR C C 102 172.700 172.700 173.737 -1.037 18989 11464 1 16 . 1 1 102 102 THR CA C 102 63.700 63.700 62.815 0.885 18989 11465 1 16 . 1 1 102 102 THR CB C 102 73.600 73.600 72.374 1.226 18989 11466 1 16 . 1 1 103 103 VAL N N 103 125.600 125.600 127.793 -2.193 18989 11467 1 16 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.452 0.458 18989 11468 1 16 . 1 1 103 103 VAL C C 103 175.000 175.000 174.912 0.088 18989 11469 1 16 . 1 1 103 103 VAL CA C 103 61.300 61.300 62.397 -1.097 18989 11470 1 16 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.852 0.848 18989 11471 1 16 . 1 1 104 104 LEU N N 104 133.900 133.900 130.993 2.907 18989 11472 1 16 . 1 1 104 104 LEU HA H 104 5.140 5.140 5.267 -0.127 18989 11473 1 16 . 1 1 104 104 LEU C C 104 173.800 173.800 175.515 -1.715 18989 11474 1 16 . 1 1 104 104 LEU CA C 104 53.300 53.300 53.800 -0.500 18989 11475 1 16 . 1 1 104 104 LEU CB C 104 46.100 46.100 44.511 1.589 18989 11476 1 16 . 1 1 105 105 THR N N 105 124.400 124.400 121.938 2.462 18989 11477 1 16 . 1 1 105 105 THR HA H 105 5.210 5.210 5.039 0.171 18989 11478 1 16 . 1 1 105 105 THR C C 105 173.500 173.500 173.348 0.152 18989 11479 1 16 . 1 1 105 105 THR CA C 105 61.500 61.500 61.444 0.056 18989 11480 1 16 . 1 1 105 105 THR CB C 105 71.100 71.100 70.406 0.694 18989 11481 1 16 . 1 1 106 106 GLU N N 106 126.900 126.900 128.171 -1.271 18989 11482 1 16 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.620 0.740 18989 11483 1 16 . 1 1 106 106 GLU C C 106 173.400 173.400 175.122 -1.722 18989 11484 1 16 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.756 -0.356 18989 11485 1 16 . 1 1 106 106 GLU CB C 106 32.000 32.000 31.950 0.050 18989 11486 1 16 . 1 1 107 107 SER N N 107 120.800 120.800 121.554 -0.754 18989 11487 1 16 . 1 1 107 107 SER HA H 107 5.470 5.470 4.896 0.574 18989 11488 1 16 . 1 1 107 107 SER C C 107 171.600 171.600 172.864 -1.264 18989 11489 1 16 . 1 1 107 107 SER CA C 107 56.000 56.000 58.042 -2.042 18989 11490 1 16 . 1 1 107 107 SER CB C 107 66.700 66.700 64.722 1.978 18989 11491 1 16 . 1 1 108 108 TRP N N 108 124.600 124.600 129.750 -5.150 18989 11492 1 16 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.697 -0.017 18989 11493 1 16 . 1 1 108 108 TRP C C 108 175.000 175.000 174.527 0.473 18989 11494 1 16 . 1 1 108 108 TRP CA C 108 55.900 55.900 56.218 -0.318 18989 11495 1 16 . 1 1 108 108 TRP CB C 108 33.600 33.600 30.491 3.109 18989 11496 1 16 . 1 1 109 109 GLU N N 109 127.200 127.200 129.008 -1.808 18989 11497 1 16 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.157 0.343 18989 11498 1 16 . 1 1 109 109 GLU C C 109 172.300 172.300 174.434 -2.134 18989 11499 1 16 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.478 -0.378 18989 11500 1 16 . 1 1 109 109 GLU CB C 109 32.900 32.900 31.203 1.697 18989 11501 1 16 . 1 1 110 110 PHE N N 110 129.400 129.400 127.785 1.615 18989 11502 1 16 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.336 0.354 18989 11503 1 16 . 1 1 110 110 PHE C C 110 177.100 177.100 174.588 2.512 18989 11504 1 16 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.913 -2.913 18989 11505 1 16 . 1 1 110 110 PHE CB C 110 38.500 38.500 39.745 -1.245 18989 11506 1 16 . 1 1 111 111 THR N N 111 117.800 117.800 120.366 -2.566 18989 11507 1 16 . 1 1 111 111 THR HA H 111 4.510 4.510 4.462 0.048 18989 11508 1 16 . 1 1 111 111 THR CA C 111 61.800 61.800 58.809 2.991 18989 11509 1 16 . 1 1 111 111 THR CB C 111 66.100 66.100 68.585 -2.485 18989 11510 1 16 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.043 -0.053 18989 11511 1 16 . 1 1 113 113 LYS C C 113 179.200 179.200 178.817 0.383 18989 11512 1 16 . 1 1 114 114 GLY N N 114 110.100 110.100 105.822 4.278 18989 11513 1 16 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.115 0.985 18989 11514 1 16 . 1 1 115 115 GLN N N 115 121.100 121.100 122.318 -1.218 18989 11515 1 16 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.336 -0.326 18989 11516 1 16 . 1 1 115 115 GLN C C 115 178.000 178.000 178.148 -0.148 18989 11517 1 16 . 1 1 115 115 GLN CA C 115 59.900 59.900 59.215 0.685 18989 11518 1 16 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.668 0.732 18989 11519 1 16 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.114 0.026 18989 11520 1 16 . 1 1 116 116 ARG C C 116 177.900 177.900 178.747 -0.847 18989 11521 1 16 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.486 0.014 18989 11522 1 16 . 1 1 116 116 ARG CB C 116 30.000 30.000 30.028 -0.028 18989 11523 1 16 . 1 1 117 117 PHE N N 117 120.800 120.800 120.363 0.437 18989 11524 1 16 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.263 0.207 18989 11525 1 16 . 1 1 117 117 PHE C C 117 178.100 178.100 177.202 0.898 18989 11526 1 16 . 1 1 117 117 PHE CA C 117 61.200 61.200 60.907 0.293 18989 11527 1 16 . 1 1 117 117 PHE CB C 117 39.000 39.000 39.032 -0.032 18989 11528 1 16 . 1 1 118 118 PHE N N 118 119.600 119.600 119.356 0.244 18989 11529 1 16 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.027 0.203 18989 11530 1 16 . 1 1 118 118 PHE C C 118 178.500 178.500 177.239 1.261 18989 11531 1 16 . 1 1 118 118 PHE CA C 118 62.300 62.300 61.504 0.796 18989 11532 1 16 . 1 1 118 118 PHE CB C 118 39.200 39.200 39.377 -0.177 18989 11533 1 16 . 1 1 119 119 HIS N N 119 120.900 120.900 120.243 0.657 18989 11534 1 16 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.393 0.227 18989 11535 1 16 . 1 1 119 119 HIS C C 119 178.500 178.500 176.742 1.758 18989 11536 1 16 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.409 0.491 18989 11537 1 16 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.204 -0.504 18989 11538 1 16 . 1 1 120 120 ASP N N 120 120.400 120.400 118.421 1.979 18989 11539 1 16 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.455 -0.125 18989 11540 1 16 . 1 1 120 120 ASP C C 120 177.500 177.500 177.936 -0.436 18989 11541 1 16 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.557 0.643 18989 11542 1 16 . 1 1 120 120 ASP CB C 120 40.500 40.500 40.933 -0.433 18989 11543 1 16 . 1 1 121 121 LYS N N 121 118.100 118.100 120.160 -2.060 18989 11544 1 16 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.805 0.005 18989 11545 1 16 . 1 1 121 121 LYS C C 121 178.200 178.200 177.383 0.817 18989 11546 1 16 . 1 1 121 121 LYS CA C 121 58.100 58.100 58.198 -0.098 18989 11547 1 16 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.622 0.578 18989 11548 1 16 . 1 1 122 122 PHE N N 122 112.800 112.800 118.616 -5.816 18989 11549 1 16 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.595 0.085 18989 11550 1 16 . 1 1 122 122 PHE C C 122 177.600 177.600 175.492 2.108 18989 11551 1 16 . 1 1 122 122 PHE CA C 122 58.100 58.100 56.247 1.853 18989 11552 1 16 . 1 1 122 122 PHE CB C 122 40.000 40.000 37.853 2.147 18989 11553 1 16 . 1 1 123 123 GLY N N 123 112.200 112.200 109.997 2.203 18989 11554 1 16 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.323 0.977 18989 11555 1 16 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.453 0.127 18989 11556 1 16 . 1 1 124 124 ASP C C 124 177.700 177.700 178.489 -0.789 18989 11557 1 16 . 1 1 124 124 ASP CA C 124 56.800 56.800 57.297 -0.497 18989 11558 1 16 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.639 -0.539 18989 11559 1 16 . 1 1 125 125 LYS N N 125 118.400 118.400 119.078 -0.678 18989 11560 1 16 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.312 0.358 18989 11561 1 16 . 1 1 125 125 LYS C C 125 177.100 177.100 178.596 -1.496 18989 11562 1 16 . 1 1 125 125 LYS CA C 125 56.000 56.000 57.682 -1.682 18989 11563 1 16 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.236 0.064 18989 11564 1 16 . 1 1 126 126 SER N N 126 116.600 116.600 115.539 1.061 18989 11565 1 16 . 1 1 126 126 SER HA H 126 3.830 3.830 4.241 -0.411 18989 11566 1 16 . 1 1 126 126 SER C C 126 175.700 175.700 176.050 -0.350 18989 11567 1 16 . 1 1 126 126 SER CA C 126 62.700 62.700 60.942 1.758 18989 11568 1 16 . 1 1 126 126 SER CB C 126 63.000 63.000 62.131 0.869 18989 11569 1 16 . 1 1 127 127 ILE N N 127 122.300 122.300 120.628 1.672 18989 11570 1 16 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.720 0.090 18989 11571 1 16 . 1 1 127 127 ILE C C 127 178.500 178.500 177.958 0.542 18989 11572 1 16 . 1 1 127 127 ILE CA C 127 65.000 65.000 64.811 0.189 18989 11573 1 16 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.773 -0.973 18989 11574 1 16 . 1 1 128 128 GLU N N 128 120.500 120.500 119.665 0.835 18989 11575 1 16 . 1 1 128 128 GLU HA H 128 4.100 4.100 4.039 0.061 18989 11576 1 16 . 1 1 128 128 GLU C C 128 179.400 179.400 179.101 0.299 18989 11577 1 16 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.274 0.026 18989 11578 1 16 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.478 0.222 18989 11579 1 16 . 1 1 129 129 GLU N N 129 118.800 118.800 119.477 -0.677 18989 11580 1 16 . 1 1 129 129 GLU HA H 129 3.910 3.910 4.072 -0.162 18989 11581 1 16 . 1 1 129 129 GLU C C 129 179.900 179.900 178.949 0.951 18989 11582 1 16 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.991 0.009 18989 11583 1 16 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.540 -0.339 18989 11584 1 16 . 1 1 130 130 ILE N N 130 122.700 122.700 120.200 2.500 18989 11585 1 16 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.711 -0.231 18989 11586 1 16 . 1 1 130 130 ILE C C 130 177.600 177.600 177.103 0.497 18989 11587 1 16 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.425 1.975 18989 11588 1 16 . 1 1 130 130 ILE CB C 130 38.300 38.300 38.197 0.103 18989 11589 1 16 . 1 1 131 131 GLU N N 131 120.100 120.100 120.241 -0.141 18989 11590 1 16 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.909 0.481 18989 11591 1 16 . 1 1 131 131 GLU C C 131 178.800 178.800 178.705 0.095 18989 11592 1 16 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.874 -1.274 18989 11593 1 16 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.287 -0.387 18989 11594 1 16 . 1 1 132 132 LYS N N 132 118.300 118.300 119.572 -1.272 18989 11595 1 16 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.941 0.019 18989 11596 1 16 . 1 1 132 132 LYS C C 132 180.400 180.400 179.281 1.119 18989 11597 1 16 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.543 0.757 18989 11598 1 16 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.295 0.405 18989 11599 1 16 . 1 1 133 133 ARG N N 133 118.400 118.400 117.647 0.753 18989 11600 1 16 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.896 0.164 18989 11601 1 16 . 1 1 133 133 ARG C C 133 178.600 178.600 178.497 0.103 18989 11602 1 16 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.028 -0.028 18989 11603 1 16 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.742 -0.342 18989 11604 1 16 . 1 1 134 134 ARG N N 134 122.500 122.500 119.881 2.619 18989 11605 1 16 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.090 -0.480 18989 11606 1 16 . 1 1 134 134 ARG C C 134 177.600 177.600 178.179 -0.579 18989 11607 1 16 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.093 0.307 18989 11608 1 16 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.369 0.631 18989 11609 1 16 . 1 1 135 135 LEU N N 135 118.200 118.200 119.727 -1.527 18989 11610 1 16 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.875 -0.065 18989 11611 1 16 . 1 1 135 135 LEU C C 135 179.700 179.700 178.642 1.058 18989 11612 1 16 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.715 -0.015 18989 11613 1 16 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.627 -0.227 18989 11614 1 16 . 1 1 136 136 ALA N N 136 120.400 120.400 119.740 0.660 18989 11615 1 16 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.867 0.163 18989 11616 1 16 . 1 1 136 136 ALA C C 136 180.500 180.500 178.595 1.905 18989 11617 1 16 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.798 -0.098 18989 11618 1 16 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.843 0.258 18989 11619 1 16 . 1 1 137 137 ALA N N 137 123.200 123.200 121.199 2.001 18989 11620 1 16 . 1 1 137 137 ALA HA H 137 3.900 3.900 4.010 -0.110 18989 11621 1 16 . 1 1 137 137 ALA C C 137 178.700 178.700 179.437 -0.737 18989 11622 1 16 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.180 1.120 18989 11623 1 16 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.967 -2.167 18989 11624 1 16 . 1 1 138 138 ILE N N 138 115.400 115.400 117.518 -2.118 18989 11625 1 16 . 1 1 138 138 ILE HA H 138 2.830 2.830 2.274 0.556 18989 11626 1 16 . 1 1 138 138 ILE C C 138 177.800 177.800 177.434 0.366 18989 11627 1 16 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.083 0.117 18989 11628 1 16 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.717 -0.316 18989 11629 1 16 . 1 1 139 139 THR N N 139 109.500 109.500 113.652 -4.152 18989 11630 1 16 . 1 1 139 139 THR HA H 139 4.150 4.150 4.270 -0.120 18989 11631 1 16 . 1 1 139 139 THR C C 139 177.300 177.300 176.466 0.834 18989 11632 1 16 . 1 1 139 139 THR CA C 139 64.000 64.000 64.565 -0.565 18989 11633 1 16 . 1 1 139 139 THR CB C 139 69.600 69.600 69.296 0.304 18989 11634 1 16 . 1 1 140 140 GLY N N 140 110.800 110.800 109.966 0.834 18989 11635 1 16 . 1 1 140 140 GLY C C 140 176.700 176.700 175.711 0.989 18989 11636 1 16 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.711 0.089 18989 11637 1 16 . 1 1 141 141 ILE N N 141 122.700 122.700 122.319 0.381 18989 11638 1 16 . 1 1 141 141 ILE HA H 141 4.160 4.160 3.969 0.191 18989 11639 1 16 . 1 1 141 141 ILE CA C 141 68.300 68.300 67.258 1.042 18989 11640 1 16 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.115 0.185 18989 11641 1 16 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.355 -0.005 18989 11642 1 16 . 1 1 142 142 PRO C C 142 179.300 179.300 179.041 0.259 18989 11643 1 16 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.680 1.020 18989 11644 1 16 . 1 1 142 142 PRO CB C 142 31.200 31.200 30.906 0.294 18989 11645 1 16 . 1 1 143 143 GLU N N 143 113.900 113.900 120.279 -6.379 18989 11646 1 16 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.081 0.089 18989 11647 1 16 . 1 1 143 143 GLU C C 143 179.600 179.600 178.756 0.844 18989 11648 1 16 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.697 -0.397 18989 11649 1 16 . 1 1 143 143 GLU CB C 143 30.000 30.000 29.192 0.808 18989 11650 1 16 . 1 1 144 144 THR N N 144 119.900 119.900 117.262 2.638 18989 11651 1 16 . 1 1 144 144 THR HA H 144 4.290 4.290 4.087 0.203 18989 11652 1 16 . 1 1 144 144 THR C C 144 175.800 175.800 177.120 -1.320 18989 11653 1 16 . 1 1 144 144 THR CA C 144 67.000 67.000 66.381 0.619 18989 11654 1 16 . 1 1 144 144 THR CB C 144 69.500 69.500 68.754 0.746 18989 11655 1 16 . 1 1 145 145 LEU N N 145 120.300 120.300 121.811 -1.511 18989 11656 1 16 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.150 -0.240 18989 11657 1 16 . 1 1 145 145 LEU C C 145 178.700 178.700 178.696 0.004 18989 11658 1 16 . 1 1 145 145 LEU CA C 145 58.600 58.600 57.873 0.727 18989 11659 1 16 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.932 -0.432 18989 11660 1 16 . 1 1 146 146 VAL N N 146 117.600 117.600 119.137 -1.537 18989 11661 1 16 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.762 -0.082 18989 11662 1 16 . 1 1 146 146 VAL C C 146 177.700 177.700 177.978 -0.278 18989 11663 1 16 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.346 -0.246 18989 11664 1 16 . 1 1 146 146 VAL CB C 146 32.000 32.000 31.110 0.890 18989 11665 1 16 . 1 1 147 147 ALA N N 147 123.600 123.600 123.159 0.441 18989 11666 1 16 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.080 0.150 18989 11667 1 16 . 1 1 147 147 ALA C C 147 180.400 180.400 179.737 0.663 18989 11668 1 16 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.379 0.221 18989 11669 1 16 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.071 0.729 18989 11670 1 16 . 1 1 148 148 ILE N N 148 119.600 119.600 119.388 0.212 18989 11671 1 16 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.607 -0.297 18989 11672 1 16 . 1 1 148 148 ILE C C 148 177.100 177.100 177.892 -0.792 18989 11673 1 16 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.295 1.005 18989 11674 1 16 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.728 0.472 18989 11675 1 16 . 1 1 149 149 GLN N N 149 119.200 119.200 119.158 0.042 18989 11676 1 16 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.890 -0.220 18989 11677 1 16 . 1 1 149 149 GLN C C 149 178.000 178.000 178.196 -0.196 18989 11678 1 16 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.446 0.654 18989 11679 1 16 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.592 1.008 18989 11680 1 16 . 1 1 150 150 ARG N N 150 120.500 120.500 119.574 0.926 18989 11681 1 16 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.125 -0.075 18989 11682 1 16 . 1 1 150 150 ARG C C 150 179.000 179.000 178.627 0.373 18989 11683 1 16 . 1 1 150 150 ARG CA C 150 59.300 59.300 58.720 0.580 18989 11684 1 16 . 1 1 150 150 ARG CB C 150 30.000 30.000 29.869 0.131 18989 11685 1 16 . 1 1 151 151 ILE N N 151 119.100 119.100 120.261 -1.161 18989 11686 1 16 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.758 -0.108 18989 11687 1 16 . 1 1 151 151 ILE C C 151 178.500 178.500 177.819 0.681 18989 11688 1 16 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.417 0.883 18989 11689 1 16 . 1 1 151 151 ILE CB C 151 39.000 39.000 37.889 1.111 18989 11690 1 16 . 1 1 152 152 LEU N N 152 117.100 117.100 120.089 -2.989 18989 11691 1 16 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.914 0.166 18989 11692 1 16 . 1 1 152 152 LEU C C 152 178.700 178.700 179.229 -0.529 18989 11693 1 16 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.986 -0.986 18989 11694 1 16 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.643 1.257 18989 11695 1 16 . 1 1 153 153 GLU N N 153 117.800 117.800 118.769 -0.969 18989 11696 1 16 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.991 0.179 18989 11697 1 16 . 1 1 153 153 GLU C C 153 178.300 178.300 179.221 -0.921 18989 11698 1 16 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.421 -0.721 18989 11699 1 16 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.626 -0.326 18989 11700 1 16 . 1 1 154 154 VAL N N 154 119.500 119.500 119.359 0.141 18989 11701 1 16 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.748 0.252 18989 11702 1 16 . 1 1 154 154 VAL C C 154 177.500 177.500 178.102 -0.602 18989 11703 1 16 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.392 -1.692 18989 11704 1 16 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.204 0.996 18989 11705 1 16 . 1 1 155 155 GLU N N 155 121.300 121.300 120.330 0.970 18989 11706 1 16 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.150 0.030 18989 11707 1 16 . 1 1 155 155 GLU C C 155 177.600 177.600 179.444 -1.844 18989 11708 1 16 . 1 1 155 155 GLU CA C 155 58.000 58.000 59.108 -1.109 18989 11709 1 16 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.535 0.165 18989 11710 1 16 . 1 1 156 156 LEU N N 156 120.800 120.800 119.209 1.591 18989 11711 1 16 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.050 0.180 18989 11712 1 16 . 1 1 156 156 LEU C C 156 178.000 178.000 178.613 -0.613 18989 11713 1 16 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.701 -1.501 18989 11714 1 16 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.148 0.152 18989 11715 1 16 . 1 1 157 157 GLU N N 157 119.700 119.700 114.518 5.182 18989 11716 1 16 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.074 0.056 18989 11717 1 16 . 1 1 157 157 GLU C C 157 177.000 177.000 177.635 -0.635 18989 11718 1 16 . 1 1 157 157 GLU CA C 157 57.400 57.400 58.106 -0.706 18989 11719 1 16 . 1 1 157 157 GLU CB C 157 29.800 29.800 29.987 -0.187 18989 11720 1 16 . 1 1 158 158 HIS N N 158 117.700 117.700 117.739 -0.039 18989 11721 1 16 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.327 0.303 18989 11722 1 16 . 1 1 158 158 HIS C C 158 173.900 173.900 175.533 -1.633 18989 11723 1 16 . 1 1 158 158 HIS CA C 158 56.000 56.000 57.786 -1.786 18989 11724 1 16 . 1 1 158 158 HIS CB C 158 30.000 30.000 30.480 -0.480 18989 11725 1 16 . 1 1 159 159 HIS N N 159 125.200 125.200 119.027 6.173 18989 11726 1 16 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.552 -0.112 18989 11727 1 16 . 1 1 159 159 HIS CA C 159 57.300 57.300 56.108 1.192 18989 11728 1 16 . 1 1 159 159 HIS CB C 159 28.800 28.800 30.704 -1.904 18989 11729 1 17 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.291 0.109 18989 11730 1 17 . 1 1 2 2 PRO CA C 2 62.400 62.400 63.718 -1.318 18989 11731 1 17 . 1 1 2 2 PRO CB C 2 32.800 32.800 31.876 0.924 18989 11732 1 17 . 1 1 3 3 LYS HA H 3 4.480 4.480 3.961 0.519 18989 11733 1 17 . 1 1 3 3 LYS C C 3 176.600 176.600 175.511 1.089 18989 11734 1 17 . 1 1 3 3 LYS CA C 3 55.900 55.900 56.846 -0.946 18989 11735 1 17 . 1 1 3 3 LYS CB C 3 34.200 34.200 32.462 1.738 18989 11736 1 17 . 1 1 4 4 SER N N 4 117.800 117.800 117.387 0.413 18989 11737 1 17 . 1 1 4 4 SER HA H 4 4.220 4.220 4.587 -0.367 18989 11738 1 17 . 1 1 4 4 SER C C 4 174.100 174.100 174.350 -0.250 18989 11739 1 17 . 1 1 4 4 SER CA C 4 59.700 59.700 58.782 0.918 18989 11740 1 17 . 1 1 4 4 SER CB C 4 63.700 63.700 64.505 -0.805 18989 11741 1 17 . 1 1 5 5 LEU N N 5 124.700 124.700 124.903 -0.203 18989 11742 1 17 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.488 0.312 18989 11743 1 17 . 1 1 5 5 LEU C C 5 175.500 175.500 174.914 0.586 18989 11744 1 17 . 1 1 5 5 LEU CA C 5 54.000 54.000 55.168 -1.168 18989 11745 1 17 . 1 1 5 5 LEU CB C 5 43.200 43.200 40.239 2.961 18989 11746 1 17 . 1 1 6 6 THR N N 6 111.200 111.200 118.212 -7.012 18989 11747 1 17 . 1 1 6 6 THR HA H 6 5.620 5.620 5.523 0.097 18989 11748 1 17 . 1 1 6 6 THR C C 6 174.500 174.500 173.607 0.893 18989 11749 1 17 . 1 1 6 6 THR CA C 6 59.700 59.700 61.124 -1.425 18989 11750 1 17 . 1 1 6 6 THR CB C 6 73.000 73.000 71.927 1.073 18989 11751 1 17 . 1 1 7 7 PHE N N 7 120.700 120.700 127.046 -6.346 18989 11752 1 17 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.941 -0.191 18989 11753 1 17 . 1 1 7 7 PHE C C 7 172.100 172.100 173.157 -1.057 18989 11754 1 17 . 1 1 7 7 PHE CA C 7 59.300 59.300 56.993 2.307 18989 11755 1 17 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.450 0.050 18989 11756 1 17 . 1 1 8 8 GLU N N 8 122.100 122.100 121.240 0.860 18989 11757 1 17 . 1 1 8 8 GLU HA H 8 5.380 5.380 5.064 0.316 18989 11758 1 17 . 1 1 8 8 GLU C C 8 172.500 172.500 174.097 -1.597 18989 11759 1 17 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.415 0.085 18989 11760 1 17 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.494 0.006 18989 11761 1 17 . 1 1 9 9 ASP N N 9 117.400 117.400 121.217 -3.817 18989 11762 1 17 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.840 -0.020 18989 11763 1 17 . 1 1 9 9 ASP C C 9 173.500 173.500 173.891 -0.391 18989 11764 1 17 . 1 1 9 9 ASP CA C 9 53.100 53.100 52.673 0.427 18989 11765 1 17 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.035 1.065 18989 11766 1 17 . 1 1 10 10 SER N N 10 113.600 113.600 116.674 -3.074 18989 11767 1 17 . 1 1 10 10 SER HA H 10 5.990 5.990 5.669 0.321 18989 11768 1 17 . 1 1 10 10 SER C C 10 172.600 172.600 173.211 -0.611 18989 11769 1 17 . 1 1 10 10 SER CA C 10 57.300 57.300 56.323 0.977 18989 11770 1 17 . 1 1 10 10 SER CB C 10 68.100 68.100 66.411 1.689 18989 11771 1 17 . 1 1 11 11 ILE N N 11 122.700 122.700 120.760 1.940 18989 11772 1 17 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.367 0.153 18989 11773 1 17 . 1 1 11 11 ILE C C 11 171.300 171.300 173.551 -2.251 18989 11774 1 17 . 1 1 11 11 ILE CA C 11 61.000 61.000 61.142 -0.143 18989 11775 1 17 . 1 1 11 11 ILE CB C 11 43.400 43.400 41.936 1.464 18989 11776 1 17 . 1 1 12 12 ASN N N 12 124.600 124.600 126.492 -1.892 18989 11777 1 17 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.985 0.295 18989 11778 1 17 . 1 1 12 12 ASN C C 12 174.700 174.700 175.190 -0.490 18989 11779 1 17 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.654 -0.354 18989 11780 1 17 . 1 1 12 12 ASN CB C 12 38.600 38.600 37.817 0.783 18989 11781 1 17 . 1 1 13 13 ILE N N 13 122.900 122.900 124.652 -1.752 18989 11782 1 17 . 1 1 13 13 ILE HA H 13 4.450 4.450 3.998 0.452 18989 11783 1 17 . 1 1 13 13 ILE C C 13 175.300 175.300 176.408 -1.108 18989 11784 1 17 . 1 1 13 13 ILE CA C 13 60.300 60.300 61.953 -1.653 18989 11785 1 17 . 1 1 13 13 ILE CB C 13 41.600 41.600 38.477 3.123 18989 11786 1 17 . 1 1 14 14 ALA N N 14 136.600 136.600 128.187 8.413 18989 11787 1 17 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.353 0.347 18989 11788 1 17 . 1 1 14 14 ALA C C 14 175.100 175.100 176.415 -1.315 18989 11789 1 17 . 1 1 14 14 ALA CA C 14 51.000 51.000 52.603 -1.603 18989 11790 1 17 . 1 1 14 14 ALA CB C 14 16.300 16.300 19.172 -2.872 18989 11791 1 17 . 1 1 15 15 ALA N N 15 122.100 122.100 121.156 0.944 18989 11792 1 17 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.752 0.008 18989 11793 1 17 . 1 1 15 15 ALA CA C 15 50.000 50.000 48.982 1.018 18989 11794 1 17 . 1 1 15 15 ALA CB C 15 21.100 21.100 19.625 1.475 18989 11795 1 17 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.451 0.159 18989 11796 1 17 . 1 1 16 16 PRO C C 16 179.200 179.200 177.708 1.492 18989 11797 1 17 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.629 -0.529 18989 11798 1 17 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.504 0.596 18989 11799 1 17 . 1 1 17 17 ILE N N 17 124.400 124.400 122.021 2.379 18989 11800 1 17 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.739 0.251 18989 11801 1 17 . 1 1 17 17 ILE C C 17 175.800 175.800 176.891 -1.091 18989 11802 1 17 . 1 1 17 17 ILE CA C 17 65.700 65.700 63.563 2.137 18989 11803 1 17 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.023 0.677 18989 11804 1 17 . 1 1 18 18 ASN N N 18 117.200 117.200 116.775 0.425 18989 11805 1 17 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.306 0.384 18989 11806 1 17 . 1 1 18 18 ASN C C 18 178.700 178.700 177.283 1.417 18989 11807 1 17 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.376 -0.576 18989 11808 1 17 . 1 1 18 18 ASN CB C 18 37.100 37.100 38.263 -1.163 18989 11809 1 17 . 1 1 19 19 GLN N N 19 120.300 120.300 118.893 1.407 18989 11810 1 17 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.095 0.025 18989 11811 1 17 . 1 1 19 19 GLN C C 19 178.500 178.500 178.552 -0.052 18989 11812 1 17 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.455 -0.155 18989 11813 1 17 . 1 1 19 19 GLN CB C 19 28.300 28.300 29.040 -0.740 18989 11814 1 17 . 1 1 20 20 VAL N N 20 120.300 120.300 120.957 -0.657 18989 11815 1 17 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.694 -0.244 18989 11816 1 17 . 1 1 20 20 VAL C C 20 177.500 177.500 177.834 -0.334 18989 11817 1 17 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.742 -0.542 18989 11818 1 17 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.587 -0.687 18989 11819 1 17 . 1 1 21 21 TYR N N 21 118.800 118.800 121.023 -2.223 18989 11820 1 17 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.038 -0.458 18989 11821 1 17 . 1 1 21 21 TYR C C 21 177.800 177.800 177.387 0.413 18989 11822 1 17 . 1 1 21 21 TYR CA C 21 62.900 62.900 62.059 0.842 18989 11823 1 17 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.127 0.273 18989 11824 1 17 . 1 1 22 22 ALA N N 22 120.400 120.400 119.608 0.792 18989 11825 1 17 . 1 1 22 22 ALA HA H 22 3.760 3.760 4.023 -0.263 18989 11826 1 17 . 1 1 22 22 ALA C C 22 178.000 178.000 179.535 -1.535 18989 11827 1 17 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.513 0.187 18989 11828 1 17 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.338 0.162 18989 11829 1 17 . 1 1 23 23 LEU N N 23 116.400 116.400 117.057 -0.657 18989 11830 1 17 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.223 0.007 18989 11831 1 17 . 1 1 23 23 LEU C C 23 177.200 177.200 178.235 -1.035 18989 11832 1 17 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.073 1.927 18989 11833 1 17 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.065 1.335 18989 11834 1 17 . 1 1 24 24 VAL N N 24 128.600 128.600 117.105 11.495 18989 11835 1 17 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.973 -0.613 18989 11836 1 17 . 1 1 24 24 VAL C C 24 175.200 175.200 176.458 -1.258 18989 11837 1 17 . 1 1 24 24 VAL CA C 24 64.300 64.300 63.858 0.442 18989 11838 1 17 . 1 1 24 24 VAL CB C 24 30.800 30.800 31.915 -1.115 18989 11839 1 17 . 1 1 25 25 SER N N 25 108.500 108.500 116.933 -8.433 18989 11840 1 17 . 1 1 25 25 SER HA H 25 2.520 2.520 4.051 -1.531 18989 11841 1 17 . 1 1 25 25 SER CA C 25 58.200 58.200 58.929 -0.729 18989 11842 1 17 . 1 1 25 25 SER CB C 25 63.600 63.600 61.844 1.756 18989 11843 1 17 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.376 0.534 18989 11844 1 17 . 1 1 26 26 ASP C C 26 175.500 175.500 175.873 -0.373 18989 11845 1 17 . 1 1 26 26 ASP CA C 26 51.200 51.200 54.370 -3.171 18989 11846 1 17 . 1 1 26 26 ASP CB C 26 38.100 38.100 40.885 -2.785 18989 11847 1 17 . 1 1 27 27 ILE N N 27 123.500 123.500 122.575 0.925 18989 11848 1 17 . 1 1 27 27 ILE HA H 27 3.390 3.390 3.432 -0.042 18989 11849 1 17 . 1 1 27 27 ILE C C 27 178.900 178.900 175.523 3.377 18989 11850 1 17 . 1 1 27 27 ILE CA C 27 61.700 61.700 61.746 -0.046 18989 11851 1 17 . 1 1 27 27 ILE CB C 27 36.600 36.600 35.793 0.807 18989 11852 1 17 . 1 1 28 28 THR N N 28 112.500 112.500 117.144 -4.644 18989 11853 1 17 . 1 1 28 28 THR HA H 28 4.350 4.350 3.769 0.581 18989 11854 1 17 . 1 1 28 28 THR C C 28 176.500 176.500 174.256 2.244 18989 11855 1 17 . 1 1 28 28 THR CA C 28 64.000 64.000 63.375 0.625 18989 11856 1 17 . 1 1 28 28 THR CB C 28 68.600 68.600 68.402 0.198 18989 11857 1 17 . 1 1 29 29 ARG N N 29 121.100 121.100 119.531 1.569 18989 11858 1 17 . 1 1 29 29 ARG HA H 29 4.280 4.280 3.920 0.360 18989 11859 1 17 . 1 1 29 29 ARG CA C 29 56.200 56.200 57.787 -1.587 18989 11860 1 17 . 1 1 29 29 ARG CB C 29 30.600 30.600 29.834 0.766 18989 11861 1 17 . 1 1 30 30 THR HA H 30 5.870 5.870 4.345 1.525 18989 11862 1 17 . 1 1 30 30 THR C C 30 174.000 174.000 174.172 -0.172 18989 11863 1 17 . 1 1 30 30 THR CA C 30 66.000 66.000 62.472 3.528 18989 11864 1 17 . 1 1 30 30 THR CB C 30 69.400 69.400 67.787 1.613 18989 11865 1 17 . 1 1 31 31 GLY N N 31 106.200 106.200 113.071 -6.871 18989 11866 1 17 . 1 1 31 31 GLY C C 31 175.200 175.200 174.569 0.631 18989 11867 1 17 . 1 1 31 31 GLY CA C 31 46.200 46.200 44.317 1.883 18989 11868 1 17 . 1 1 32 32 GLU N N 32 118.400 118.400 120.807 -2.407 18989 11869 1 17 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.172 -0.202 18989 11870 1 17 . 1 1 32 32 GLU C C 32 177.500 177.500 177.231 0.269 18989 11871 1 17 . 1 1 32 32 GLU CA C 32 58.800 58.800 58.627 0.173 18989 11872 1 17 . 1 1 32 32 GLU CB C 32 29.800 29.800 30.090 -0.290 18989 11873 1 17 . 1 1 33 33 TRP N N 33 113.200 113.200 116.208 -3.008 18989 11874 1 17 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.866 0.074 18989 11875 1 17 . 1 1 33 33 TRP C C 33 175.300 175.300 175.287 0.013 18989 11876 1 17 . 1 1 33 33 TRP CA C 33 56.400 56.400 55.642 0.758 18989 11877 1 17 . 1 1 33 33 TRP CB C 33 30.600 30.600 29.363 1.238 18989 11878 1 17 . 1 1 34 34 SER N N 34 118.600 118.600 119.937 -1.337 18989 11879 1 17 . 1 1 34 34 SER HA H 34 4.930 4.930 4.082 0.849 18989 11880 1 17 . 1 1 34 34 SER CA C 34 54.700 54.700 57.811 -3.111 18989 11881 1 17 . 1 1 34 34 SER CB C 34 63.000 63.000 62.864 0.136 18989 11882 1 17 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.372 0.088 18989 11883 1 17 . 1 1 35 35 PRO C C 35 177.100 177.100 177.251 -0.151 18989 11884 1 17 . 1 1 35 35 PRO CA C 35 64.500 64.500 64.366 0.134 18989 11885 1 17 . 1 1 35 35 PRO CB C 35 32.300 32.300 31.671 0.629 18989 11886 1 17 . 1 1 36 36 VAL N N 36 113.900 113.900 110.947 2.953 18989 11887 1 17 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.015 0.085 18989 11888 1 17 . 1 1 36 36 VAL C C 36 174.200 174.200 176.116 -1.916 18989 11889 1 17 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.806 0.094 18989 11890 1 17 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.343 1.157 18989 11891 1 17 . 1 1 37 37 CYS N N 37 121.000 121.000 121.721 -0.721 18989 11892 1 17 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.495 -0.035 18989 11893 1 17 . 1 1 37 37 CYS C C 37 173.600 173.600 175.195 -1.595 18989 11894 1 17 . 1 1 37 37 CYS CA C 37 58.500 58.500 58.210 0.290 18989 11895 1 17 . 1 1 37 37 CYS CB C 37 27.000 27.000 26.039 0.961 18989 11896 1 17 . 1 1 38 38 GLU N N 38 129.300 129.300 127.171 2.129 18989 11897 1 17 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.172 -0.032 18989 11898 1 17 . 1 1 38 38 GLU C C 38 176.500 176.500 176.355 0.145 18989 11899 1 17 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.666 -0.766 18989 11900 1 17 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.185 1.615 18989 11901 1 17 . 1 1 39 39 LYS N N 39 117.100 117.100 119.411 -2.311 18989 11902 1 17 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.606 -0.136 18989 11903 1 17 . 1 1 39 39 LYS C C 39 173.600 173.600 174.536 -0.936 18989 11904 1 17 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.409 0.391 18989 11905 1 17 . 1 1 39 39 LYS CB C 39 36.500 36.500 34.476 2.024 18989 11906 1 17 . 1 1 40 40 CYS N N 40 125.100 125.100 121.104 3.996 18989 11907 1 17 . 1 1 40 40 CYS HA H 40 5.410 5.410 4.962 0.448 18989 11908 1 17 . 1 1 40 40 CYS C C 40 173.000 173.000 173.665 -0.665 18989 11909 1 17 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.369 -0.269 18989 11910 1 17 . 1 1 40 40 CYS CB C 40 30.100 30.100 28.890 1.210 18989 11911 1 17 . 1 1 41 41 TRP N N 41 124.300 124.300 126.221 -1.921 18989 11912 1 17 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.984 -0.154 18989 11913 1 17 . 1 1 41 41 TRP C C 41 174.100 174.100 175.510 -1.410 18989 11914 1 17 . 1 1 41 41 TRP CA C 41 56.300 56.300 55.930 0.370 18989 11915 1 17 . 1 1 41 41 TRP CB C 41 32.400 32.400 30.311 2.089 18989 11916 1 17 . 1 1 42 42 TRP N N 42 123.700 123.700 127.219 -3.519 18989 11917 1 17 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.939 -0.109 18989 11918 1 17 . 1 1 42 42 TRP C C 42 178.200 178.200 177.069 1.131 18989 11919 1 17 . 1 1 42 42 TRP CA C 42 57.000 57.000 57.549 -0.549 18989 11920 1 17 . 1 1 42 42 TRP CB C 42 31.600 31.600 29.798 1.802 18989 11921 1 17 . 1 1 43 43 ASP N N 43 124.400 124.400 125.205 -0.805 18989 11922 1 17 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.155 0.525 18989 11923 1 17 . 1 1 43 43 ASP C C 43 176.300 176.300 177.799 -1.499 18989 11924 1 17 . 1 1 43 43 ASP CA C 43 56.300 56.300 57.013 -0.713 18989 11925 1 17 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.705 -0.405 18989 11926 1 17 . 1 1 44 44 GLU N N 44 119.400 119.400 118.219 1.181 18989 11927 1 17 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.112 0.158 18989 11928 1 17 . 1 1 44 44 GLU C C 44 176.500 176.500 178.972 -2.472 18989 11929 1 17 . 1 1 44 44 GLU CA C 44 57.600 57.600 59.391 -1.791 18989 11930 1 17 . 1 1 44 44 GLU CB C 44 30.200 30.200 29.480 0.720 18989 11931 1 17 . 1 1 45 45 ASP N N 45 118.300 118.300 118.219 0.081 18989 11932 1 17 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.487 -0.007 18989 11933 1 17 . 1 1 45 45 ASP C C 45 175.900 175.900 177.930 -2.030 18989 11934 1 17 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.543 -0.543 18989 11935 1 17 . 1 1 45 45 ASP CB C 45 40.200 40.200 41.247 -1.047 18989 11936 1 17 . 1 1 46 46 GLU N N 46 118.200 118.200 118.209 -0.009 18989 11937 1 17 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.422 0.038 18989 11938 1 17 . 1 1 46 46 GLU C C 46 175.200 175.200 177.200 -2.000 18989 11939 1 17 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.950 -0.350 18989 11940 1 17 . 1 1 46 46 GLU CB C 46 30.800 30.800 31.126 -0.326 18989 11941 1 17 . 1 1 47 47 GLY N N 47 106.400 106.400 107.869 -1.469 18989 11942 1 17 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.775 -1.175 18989 11943 1 17 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.755 -0.165 18989 11944 1 17 . 1 1 48 48 PRO C C 48 173.400 173.400 176.253 -2.853 18989 11945 1 17 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.848 0.252 18989 11946 1 17 . 1 1 48 48 PRO CB C 48 29.100 29.100 30.950 -1.850 18989 11947 1 17 . 1 1 49 49 VAL N N 49 121.900 121.900 117.628 4.272 18989 11948 1 17 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.612 -0.002 18989 11949 1 17 . 1 1 49 49 VAL C C 49 175.100 175.100 174.887 0.213 18989 11950 1 17 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.681 0.619 18989 11951 1 17 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.509 0.991 18989 11952 1 17 . 1 1 50 50 VAL N N 50 121.700 121.700 121.105 0.595 18989 11953 1 17 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.833 -0.533 18989 11954 1 17 . 1 1 50 50 VAL C C 50 177.400 177.400 176.967 0.433 18989 11955 1 17 . 1 1 50 50 VAL CA C 50 66.200 66.200 62.658 3.542 18989 11956 1 17 . 1 1 50 50 VAL CB C 50 31.300 31.300 32.375 -1.075 18989 11957 1 17 . 1 1 51 51 GLY N N 51 115.800 115.800 115.973 -0.173 18989 11958 1 17 . 1 1 51 51 GLY C C 51 174.200 174.200 173.318 0.882 18989 11959 1 17 . 1 1 51 51 GLY CA C 51 44.600 44.600 45.056 -0.456 18989 11960 1 17 . 1 1 52 52 ALA N N 52 123.000 123.000 121.436 1.564 18989 11961 1 17 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.314 0.236 18989 11962 1 17 . 1 1 52 52 ALA C C 52 177.300 177.300 175.512 1.788 18989 11963 1 17 . 1 1 52 52 ALA CA C 52 52.800 52.800 51.472 1.328 18989 11964 1 17 . 1 1 52 52 ALA CB C 52 23.100 23.100 20.831 2.269 18989 11965 1 17 . 1 1 53 53 HIS N N 53 115.900 115.900 116.108 -0.208 18989 11966 1 17 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.127 0.893 18989 11967 1 17 . 1 1 53 53 HIS C C 53 174.200 174.200 173.629 0.571 18989 11968 1 17 . 1 1 53 53 HIS CA C 53 55.200 55.200 55.613 -0.413 18989 11969 1 17 . 1 1 53 53 HIS CB C 53 32.100 32.100 32.115 -0.015 18989 11970 1 17 . 1 1 54 54 PHE N N 54 115.800 115.800 122.270 -6.470 18989 11971 1 17 . 1 1 54 54 PHE HA H 54 5.150 5.150 4.629 0.521 18989 11972 1 17 . 1 1 54 54 PHE C C 54 172.600 172.600 175.463 -2.863 18989 11973 1 17 . 1 1 54 54 PHE CA C 54 55.500 55.500 57.888 -2.388 18989 11974 1 17 . 1 1 54 54 PHE CB C 54 41.700 41.700 40.567 1.133 18989 11975 1 17 . 1 1 55 55 THR N N 55 118.300 118.300 115.352 2.948 18989 11976 1 17 . 1 1 55 55 THR HA H 55 4.770 4.770 5.126 -0.356 18989 11977 1 17 . 1 1 55 55 THR C C 55 171.800 171.800 173.782 -1.982 18989 11978 1 17 . 1 1 55 55 THR CA C 55 61.000 61.000 60.956 0.044 18989 11979 1 17 . 1 1 55 55 THR CB C 55 70.200 70.200 72.019 -1.819 18989 11980 1 17 . 1 1 56 56 GLY N N 56 110.500 110.500 109.396 1.104 18989 11981 1 17 . 1 1 56 56 GLY C C 56 171.100 171.100 171.948 -0.848 18989 11982 1 17 . 1 1 56 56 GLY CA C 56 44.300 44.300 46.087 -1.787 18989 11983 1 17 . 1 1 57 57 ARG N N 57 123.800 123.800 120.756 3.044 18989 11984 1 17 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.693 -0.033 18989 11985 1 17 . 1 1 57 57 ARG C C 57 172.900 172.900 174.064 -1.164 18989 11986 1 17 . 1 1 57 57 ARG CA C 57 55.300 55.300 55.876 -0.576 18989 11987 1 17 . 1 1 57 57 ARG CB C 57 32.500 32.500 34.005 -1.505 18989 11988 1 17 . 1 1 58 58 ASN N N 58 127.200 127.200 124.954 2.246 18989 11989 1 17 . 1 1 58 58 ASN HA H 58 5.060 5.060 4.783 0.277 18989 11990 1 17 . 1 1 58 58 ASN C C 58 173.100 173.100 173.465 -0.365 18989 11991 1 17 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.772 -1.872 18989 11992 1 17 . 1 1 58 58 ASN CB C 58 38.800 38.800 39.760 -0.960 18989 11993 1 17 . 1 1 59 59 VAL N N 59 121.400 121.400 127.874 -6.474 18989 11994 1 17 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.593 0.087 18989 11995 1 17 . 1 1 59 59 VAL C C 59 175.100 175.100 173.934 1.166 18989 11996 1 17 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.349 2.051 18989 11997 1 17 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.592 1.208 18989 11998 1 17 . 1 1 60 60 THR N N 60 118.000 118.000 120.768 -2.768 18989 11999 1 17 . 1 1 60 60 THR HA H 60 5.000 5.000 5.003 -0.003 18989 12000 1 17 . 1 1 60 60 THR CA C 60 58.900 58.900 58.498 0.403 18989 12001 1 17 . 1 1 60 60 THR CB C 60 70.200 70.200 69.674 0.526 18989 12002 1 17 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.397 -0.117 18989 12003 1 17 . 1 1 61 61 PRO C C 61 177.700 177.700 176.236 1.464 18989 12004 1 17 . 1 1 61 61 PRO CA C 61 65.500 65.500 65.078 0.422 18989 12005 1 17 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.241 0.559 18989 12006 1 17 . 1 1 62 62 GLU N N 62 111.700 111.700 115.300 -3.600 18989 12007 1 17 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.492 -0.212 18989 12008 1 17 . 1 1 62 62 GLU C C 62 176.500 176.500 175.621 0.879 18989 12009 1 17 . 1 1 62 62 GLU CA C 62 57.600 57.600 55.441 2.159 18989 12010 1 17 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.557 0.443 18989 12011 1 17 . 1 1 63 63 ARG N N 63 118.000 118.000 121.353 -3.353 18989 12012 1 17 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.716 -0.026 18989 12013 1 17 . 1 1 63 63 ARG C C 63 174.000 174.000 174.107 -0.107 18989 12014 1 17 . 1 1 63 63 ARG CA C 63 56.700 56.700 56.642 0.058 18989 12015 1 17 . 1 1 63 63 ARG CB C 63 33.700 33.700 32.904 0.796 18989 12016 1 17 . 1 1 64 64 THR N N 64 120.700 120.700 116.143 4.557 18989 12017 1 17 . 1 1 64 64 THR HA H 64 5.780 5.780 5.661 0.119 18989 12018 1 17 . 1 1 64 64 THR C C 64 174.000 174.000 173.161 0.839 18989 12019 1 17 . 1 1 64 64 THR CA C 64 61.600 61.600 60.246 1.354 18989 12020 1 17 . 1 1 64 64 THR CB C 64 71.700 71.700 72.033 -0.333 18989 12021 1 17 . 1 1 65 65 TRP N N 65 128.000 128.000 122.643 5.357 18989 12022 1 17 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.787 0.383 18989 12023 1 17 . 1 1 65 65 TRP C C 65 172.800 172.800 173.656 -0.856 18989 12024 1 17 . 1 1 65 65 TRP CA C 65 57.300 57.300 57.122 0.178 18989 12025 1 17 . 1 1 65 65 TRP CB C 65 32.900 32.900 32.761 0.139 18989 12026 1 17 . 1 1 66 66 GLU N N 66 120.800 120.800 124.352 -3.552 18989 12027 1 17 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.317 1.273 18989 12028 1 17 . 1 1 66 66 GLU C C 66 177.300 177.300 175.548 1.752 18989 12029 1 17 . 1 1 66 66 GLU CA C 66 54.200 54.200 56.047 -1.847 18989 12030 1 17 . 1 1 66 66 GLU CB C 66 32.700 32.700 29.821 2.879 18989 12031 1 17 . 1 1 67 67 THR N N 67 113.700 113.700 117.860 -4.160 18989 12032 1 17 . 1 1 67 67 THR HA H 67 4.750 4.750 4.628 0.122 18989 12033 1 17 . 1 1 67 67 THR C C 67 173.300 173.300 174.014 -0.714 18989 12034 1 17 . 1 1 67 67 THR CA C 67 59.500 59.500 61.800 -2.300 18989 12035 1 17 . 1 1 67 67 THR CB C 67 71.500 71.500 69.931 1.569 18989 12036 1 17 . 1 1 68 68 ARG N N 68 125.300 125.300 125.921 -0.621 18989 12037 1 17 . 1 1 68 68 ARG HA H 68 4.860 4.860 5.006 -0.146 18989 12038 1 17 . 1 1 68 68 ARG C C 68 175.700 175.700 175.061 0.639 18989 12039 1 17 . 1 1 68 68 ARG CA C 68 55.000 55.000 55.071 -0.071 18989 12040 1 17 . 1 1 68 68 ARG CB C 68 31.700 31.700 34.168 -2.468 18989 12041 1 17 . 1 1 69 69 SER N N 69 122.000 122.000 117.169 4.831 18989 12042 1 17 . 1 1 69 69 SER HA H 69 5.570 5.570 5.714 -0.144 18989 12043 1 17 . 1 1 69 69 SER C C 69 172.200 172.200 173.060 -0.860 18989 12044 1 17 . 1 1 69 69 SER CA C 69 58.000 58.000 57.130 0.869 18989 12045 1 17 . 1 1 69 69 SER CB C 69 66.700 66.700 67.332 -0.632 18989 12046 1 17 . 1 1 70 70 GLU N N 70 121.900 121.900 122.033 -0.133 18989 12047 1 17 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.790 0.410 18989 12048 1 17 . 1 1 70 70 GLU C C 70 176.000 176.000 175.943 0.057 18989 12049 1 17 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.338 -0.738 18989 12050 1 17 . 1 1 70 70 GLU CB C 70 34.700 34.700 32.015 2.685 18989 12051 1 17 . 1 1 71 71 VAL N N 71 126.600 126.600 126.138 0.462 18989 12052 1 17 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.433 -0.183 18989 12053 1 17 . 1 1 71 71 VAL C C 71 177.600 177.600 176.622 0.978 18989 12054 1 17 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.102 1.698 18989 12055 1 17 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.689 1.511 18989 12056 1 17 . 1 1 72 72 ILE N N 72 123.200 123.200 124.975 -1.775 18989 12057 1 17 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.177 0.553 18989 12058 1 17 . 1 1 72 72 ILE C C 72 175.200 175.200 175.581 -0.381 18989 12059 1 17 . 1 1 72 72 ILE CA C 72 62.000 62.000 63.131 -1.131 18989 12060 1 17 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.569 1.031 18989 12061 1 17 . 1 1 73 73 VAL N N 73 121.700 121.700 119.438 2.262 18989 12062 1 17 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.399 -0.199 18989 12063 1 17 . 1 1 73 73 VAL C C 73 172.000 172.000 173.476 -1.476 18989 12064 1 17 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.234 0.865 18989 12065 1 17 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.286 -0.586 18989 12066 1 17 . 1 1 74 74 ALA N N 74 131.100 131.100 130.688 0.412 18989 12067 1 17 . 1 1 74 74 ALA HA H 74 5.320 5.320 4.847 0.473 18989 12068 1 17 . 1 1 74 74 ALA C C 74 174.900 174.900 175.384 -0.484 18989 12069 1 17 . 1 1 74 74 ALA CA C 74 52.700 52.700 50.837 1.863 18989 12070 1 17 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.865 -2.565 18989 12071 1 17 . 1 1 75 75 GLU N N 75 126.100 126.100 123.049 3.051 18989 12072 1 17 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.761 0.209 18989 12073 1 17 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.580 -0.480 18989 12074 1 17 . 1 1 75 75 GLU CB C 75 31.300 31.300 32.230 -0.930 18989 12075 1 17 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.801 -2.181 18989 12076 1 17 . 1 1 76 76 PRO CA C 76 63.900 63.900 64.173 -0.273 18989 12077 1 17 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.800 0.100 18989 12078 1 17 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.589 -0.829 18989 12079 1 17 . 1 1 77 77 ASN C C 77 172.700 172.700 174.830 -2.130 18989 12080 1 17 . 1 1 77 77 ASN CA C 77 55.100 55.100 54.791 0.308 18989 12081 1 17 . 1 1 77 77 ASN CB C 77 36.900 36.900 37.408 -0.508 18989 12082 1 17 . 1 1 78 78 ARG N N 78 115.300 115.300 118.180 -2.880 18989 12083 1 17 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.751 0.149 18989 12084 1 17 . 1 1 78 78 ARG C C 78 176.000 176.000 174.033 1.967 18989 12085 1 17 . 1 1 78 78 ARG CA C 78 58.300 58.300 56.777 1.523 18989 12086 1 17 . 1 1 78 78 ARG CB C 78 34.000 34.000 33.590 0.410 18989 12087 1 17 . 1 1 79 79 CYS N N 79 117.700 117.700 117.688 0.012 18989 12088 1 17 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.133 0.537 18989 12089 1 17 . 1 1 79 79 CYS C C 79 172.200 172.200 172.189 0.011 18989 12090 1 17 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.685 -0.485 18989 12091 1 17 . 1 1 79 79 CYS CB C 79 29.500 29.500 29.459 0.041 18989 12092 1 17 . 1 1 80 80 PHE N N 80 129.500 129.500 127.403 2.097 18989 12093 1 17 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.367 0.153 18989 12094 1 17 . 1 1 80 80 PHE C C 80 173.400 173.400 174.978 -1.578 18989 12095 1 17 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.443 1.457 18989 12096 1 17 . 1 1 80 80 PHE CB C 80 43.800 43.800 41.488 2.312 18989 12097 1 17 . 1 1 81 81 GLY N N 81 114.500 114.500 111.448 3.052 18989 12098 1 17 . 1 1 81 81 GLY C C 81 171.900 171.900 172.075 -0.175 18989 12099 1 17 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.263 2.337 18989 12100 1 17 . 1 1 82 82 TRP N N 82 121.700 121.700 123.025 -1.325 18989 12101 1 17 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.809 -0.019 18989 12102 1 17 . 1 1 82 82 TRP C C 82 171.500 171.500 174.026 -2.526 18989 12103 1 17 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.246 3.154 18989 12104 1 17 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.346 1.554 18989 12105 1 17 . 1 1 83 83 SER N N 83 113.600 113.600 116.768 -3.168 18989 12106 1 17 . 1 1 83 83 SER HA H 83 5.680 5.680 5.296 0.384 18989 12107 1 17 . 1 1 83 83 SER C C 83 174.500 174.500 175.049 -0.549 18989 12108 1 17 . 1 1 83 83 SER CA C 83 54.800 54.800 56.705 -1.905 18989 12109 1 17 . 1 1 83 83 SER CB C 83 66.700 66.700 64.328 2.372 18989 12110 1 17 . 1 1 84 84 VAL N N 84 125.400 125.400 128.276 -2.876 18989 12111 1 17 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.481 0.369 18989 12112 1 17 . 1 1 84 84 VAL C C 84 176.500 176.500 176.424 0.076 18989 12113 1 17 . 1 1 84 84 VAL CA C 84 61.400 61.400 62.789 -1.389 18989 12114 1 17 . 1 1 84 84 VAL CB C 84 34.600 34.600 30.738 3.862 18989 12115 1 17 . 1 1 85 85 THR N N 85 120.300 120.300 121.402 -1.102 18989 12116 1 17 . 1 1 85 85 THR HA H 85 3.720 3.720 4.095 -0.375 18989 12117 1 17 . 1 1 85 85 THR C C 85 173.500 173.500 173.226 0.274 18989 12118 1 17 . 1 1 85 85 THR CA C 85 62.900 62.900 63.013 -0.113 18989 12119 1 17 . 1 1 85 85 THR CB C 85 66.600 66.600 69.163 -2.563 18989 12120 1 17 . 1 1 86 86 ASP N N 86 119.000 119.000 122.701 -3.701 18989 12121 1 17 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.370 -0.150 18989 12122 1 17 . 1 1 86 86 ASP C C 86 177.100 177.100 177.721 -0.621 18989 12123 1 17 . 1 1 86 86 ASP CA C 86 54.700 54.700 55.174 -0.474 18989 12124 1 17 . 1 1 86 86 ASP CB C 86 39.700 39.700 40.468 -0.768 18989 12125 1 17 . 1 1 87 87 GLY N N 87 103.400 103.400 114.996 -11.596 18989 12126 1 17 . 1 1 87 87 GLY C C 87 175.000 175.000 173.991 1.009 18989 12127 1 17 . 1 1 87 87 GLY CA C 87 45.600 45.600 45.951 -0.351 18989 12128 1 17 . 1 1 88 88 ASN N N 88 122.300 122.300 117.728 4.572 18989 12129 1 17 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.657 -0.546 18989 12130 1 17 . 1 1 88 88 ASN C C 88 174.500 174.500 174.033 0.467 18989 12131 1 17 . 1 1 88 88 ASN CA C 88 55.600 55.600 54.064 1.536 18989 12132 1 17 . 1 1 88 88 ASN CB C 88 38.200 38.200 40.705 -2.505 18989 12133 1 17 . 1 1 89 89 VAL N N 89 115.700 115.700 118.996 -3.296 18989 12134 1 17 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.150 0.680 18989 12135 1 17 . 1 1 89 89 VAL C C 89 174.700 174.700 174.580 0.120 18989 12136 1 17 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.063 -1.463 18989 12137 1 17 . 1 1 89 89 VAL CB C 89 37.000 37.000 34.372 2.628 18989 12138 1 17 . 1 1 90 90 LYS N N 90 123.600 123.600 123.577 0.023 18989 12139 1 17 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.848 0.162 18989 12140 1 17 . 1 1 90 90 LYS C C 90 174.100 174.100 175.072 -0.972 18989 12141 1 17 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.315 -0.415 18989 12142 1 17 . 1 1 90 90 LYS CB C 90 36.300 36.300 34.392 1.908 18989 12143 1 17 . 1 1 91 91 TRP N N 91 124.600 124.600 127.133 -2.533 18989 12144 1 17 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.808 0.292 18989 12145 1 17 . 1 1 91 91 TRP C C 91 174.600 174.600 174.967 -0.367 18989 12146 1 17 . 1 1 91 91 TRP CA C 91 54.900 54.900 56.346 -1.446 18989 12147 1 17 . 1 1 91 91 TRP CB C 91 30.800 30.800 30.558 0.242 18989 12148 1 17 . 1 1 92 92 ILE N N 92 118.000 118.000 122.918 -4.918 18989 12149 1 17 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.270 0.290 18989 12150 1 17 . 1 1 92 92 ILE C C 92 176.300 176.300 174.415 1.885 18989 12151 1 17 . 1 1 92 92 ILE CA C 92 60.800 60.800 58.783 2.017 18989 12152 1 17 . 1 1 92 92 ILE CB C 92 42.100 42.100 38.343 3.757 18989 12153 1 17 . 1 1 93 93 TYR N N 93 127.700 127.700 127.956 -0.256 18989 12154 1 17 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.113 0.737 18989 12155 1 17 . 1 1 93 93 TYR C C 93 175.300 175.300 175.433 -0.133 18989 12156 1 17 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.497 0.603 18989 12157 1 17 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.472 2.328 18989 12158 1 17 . 1 1 94 94 SER N N 94 117.900 117.900 120.190 -2.290 18989 12159 1 17 . 1 1 94 94 SER HA H 94 5.510 5.510 4.873 0.637 18989 12160 1 17 . 1 1 94 94 SER C C 94 172.700 172.700 173.510 -0.810 18989 12161 1 17 . 1 1 94 94 SER CA C 94 57.300 57.300 58.069 -0.769 18989 12162 1 17 . 1 1 94 94 SER CB C 94 65.600 65.600 64.519 1.081 18989 12163 1 17 . 1 1 95 95 MET N N 95 119.600 119.600 124.863 -5.263 18989 12164 1 17 . 1 1 95 95 MET HA H 95 5.840 5.840 5.043 0.797 18989 12165 1 17 . 1 1 95 95 MET C C 95 173.800 173.800 175.361 -1.561 18989 12166 1 17 . 1 1 95 95 MET CA C 95 54.200 54.200 54.856 -0.656 18989 12167 1 17 . 1 1 95 95 MET CB C 95 37.400 37.400 36.314 1.086 18989 12168 1 17 . 1 1 96 96 GLU N N 96 119.100 119.100 123.387 -4.287 18989 12169 1 17 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.828 0.142 18989 12170 1 17 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.192 -0.292 18989 12171 1 17 . 1 1 96 96 GLU CB C 96 33.000 33.000 30.559 2.441 18989 12172 1 17 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.365 0.455 18989 12173 1 17 . 1 1 97 97 PRO C C 97 176.300 176.300 176.125 0.175 18989 12174 1 17 . 1 1 97 97 PRO CA C 97 63.100 63.100 63.141 -0.041 18989 12175 1 17 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.519 1.181 18989 12176 1 17 . 1 1 98 98 LEU N N 98 122.900 122.900 125.583 -2.683 18989 12177 1 17 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.706 -0.176 18989 12178 1 17 . 1 1 98 98 LEU C C 98 176.200 176.200 177.739 -1.539 18989 12179 1 17 . 1 1 98 98 LEU CA C 98 54.200 54.200 53.198 1.002 18989 12180 1 17 . 1 1 98 98 LEU CB C 98 44.100 44.100 43.905 0.195 18989 12181 1 17 . 1 1 99 99 GLU N N 99 124.700 124.700 119.783 4.917 18989 12182 1 17 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.207 -0.347 18989 12183 1 17 . 1 1 99 99 GLU C C 99 176.900 176.900 177.329 -0.429 18989 12184 1 17 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.005 1.495 18989 12185 1 17 . 1 1 99 99 GLU CB C 99 28.000 28.000 30.078 -2.078 18989 12186 1 17 . 1 1 100 100 GLU N N 100 118.200 118.200 118.225 -0.025 18989 12187 1 17 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.322 0.108 18989 12188 1 17 . 1 1 100 100 GLU C C 100 176.200 176.200 176.362 -0.162 18989 12189 1 17 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.543 -0.143 18989 12190 1 17 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.355 -0.455 18989 12191 1 17 . 1 1 101 101 GLY N N 101 110.100 110.100 106.950 3.150 18989 12192 1 17 . 1 1 101 101 GLY C C 101 174.100 174.100 172.780 1.320 18989 12193 1 17 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.221 -0.221 18989 12194 1 17 . 1 1 102 102 THR N N 102 120.200 120.200 116.625 3.575 18989 12195 1 17 . 1 1 102 102 THR HA H 102 4.850 4.850 5.047 -0.197 18989 12196 1 17 . 1 1 102 102 THR C C 102 172.700 172.700 173.461 -0.761 18989 12197 1 17 . 1 1 102 102 THR CA C 102 63.700 63.700 62.524 1.176 18989 12198 1 17 . 1 1 102 102 THR CB C 102 73.600 73.600 72.125 1.475 18989 12199 1 17 . 1 1 103 103 VAL N N 103 125.600 125.600 127.472 -1.872 18989 12200 1 17 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.454 0.456 18989 12201 1 17 . 1 1 103 103 VAL C C 103 175.000 175.000 174.628 0.372 18989 12202 1 17 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.974 -0.674 18989 12203 1 17 . 1 1 103 103 VAL CB C 103 32.700 32.700 30.996 1.704 18989 12204 1 17 . 1 1 104 104 LEU N N 104 133.900 133.900 130.683 3.217 18989 12205 1 17 . 1 1 104 104 LEU HA H 104 5.140 5.140 5.305 -0.165 18989 12206 1 17 . 1 1 104 104 LEU C C 104 173.800 173.800 175.517 -1.717 18989 12207 1 17 . 1 1 104 104 LEU CA C 104 53.300 53.300 53.455 -0.155 18989 12208 1 17 . 1 1 104 104 LEU CB C 104 46.100 46.100 44.662 1.438 18989 12209 1 17 . 1 1 105 105 THR N N 105 124.400 124.400 120.881 3.519 18989 12210 1 17 . 1 1 105 105 THR HA H 105 5.210 5.210 5.113 0.097 18989 12211 1 17 . 1 1 105 105 THR C C 105 173.500 173.500 172.735 0.765 18989 12212 1 17 . 1 1 105 105 THR CA C 105 61.500 61.500 61.448 0.052 18989 12213 1 17 . 1 1 105 105 THR CB C 105 71.100 71.100 71.742 -0.642 18989 12214 1 17 . 1 1 106 106 GLU N N 106 126.900 126.900 124.754 2.146 18989 12215 1 17 . 1 1 106 106 GLU HA H 106 5.360 5.360 5.193 0.167 18989 12216 1 17 . 1 1 106 106 GLU C C 106 173.400 173.400 174.553 -1.153 18989 12217 1 17 . 1 1 106 106 GLU CA C 106 54.400 54.400 53.731 0.669 18989 12218 1 17 . 1 1 106 106 GLU CB C 106 32.000 32.000 33.669 -1.669 18989 12219 1 17 . 1 1 107 107 SER N N 107 120.800 120.800 122.063 -1.263 18989 12220 1 17 . 1 1 107 107 SER HA H 107 5.470 5.470 5.004 0.466 18989 12221 1 17 . 1 1 107 107 SER C C 107 171.600 171.600 173.003 -1.403 18989 12222 1 17 . 1 1 107 107 SER CA C 107 56.000 56.000 57.638 -1.638 18989 12223 1 17 . 1 1 107 107 SER CB C 107 66.700 66.700 64.345 2.355 18989 12224 1 17 . 1 1 108 108 TRP N N 108 124.600 124.600 129.502 -4.902 18989 12225 1 17 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.620 0.060 18989 12226 1 17 . 1 1 108 108 TRP C C 108 175.000 175.000 174.414 0.586 18989 12227 1 17 . 1 1 108 108 TRP CA C 108 55.900 55.900 56.182 -0.282 18989 12228 1 17 . 1 1 108 108 TRP CB C 108 33.600 33.600 30.533 3.067 18989 12229 1 17 . 1 1 109 109 GLU N N 109 127.200 127.200 128.634 -1.434 18989 12230 1 17 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.337 0.163 18989 12231 1 17 . 1 1 109 109 GLU C C 109 172.300 172.300 174.717 -2.417 18989 12232 1 17 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.572 -0.472 18989 12233 1 17 . 1 1 109 109 GLU CB C 109 32.900 32.900 30.769 2.131 18989 12234 1 17 . 1 1 110 110 PHE N N 110 129.400 129.400 127.670 1.730 18989 12235 1 17 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.398 0.292 18989 12236 1 17 . 1 1 110 110 PHE C C 110 177.100 177.100 174.854 2.246 18989 12237 1 17 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.940 -2.940 18989 12238 1 17 . 1 1 110 110 PHE CB C 110 38.500 38.500 40.299 -1.799 18989 12239 1 17 . 1 1 111 111 THR N N 111 117.800 117.800 120.969 -3.169 18989 12240 1 17 . 1 1 111 111 THR HA H 111 4.510 4.510 4.501 0.009 18989 12241 1 17 . 1 1 111 111 THR CA C 111 61.800 61.800 59.723 2.077 18989 12242 1 17 . 1 1 111 111 THR CB C 111 66.100 66.100 68.673 -2.573 18989 12243 1 17 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.069 -0.079 18989 12244 1 17 . 1 1 113 113 LYS C C 113 179.200 179.200 178.631 0.569 18989 12245 1 17 . 1 1 114 114 GLY N N 114 110.100 110.100 106.730 3.370 18989 12246 1 17 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.656 0.444 18989 12247 1 17 . 1 1 115 115 GLN N N 115 121.100 121.100 121.480 -0.380 18989 12248 1 17 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.513 -0.503 18989 12249 1 17 . 1 1 115 115 GLN C C 115 178.000 178.000 178.205 -0.205 18989 12250 1 17 . 1 1 115 115 GLN CA C 115 59.900 59.900 59.024 0.876 18989 12251 1 17 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.903 0.497 18989 12252 1 17 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.211 -0.071 18989 12253 1 17 . 1 1 116 116 ARG C C 116 177.900 177.900 178.450 -0.550 18989 12254 1 17 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.183 0.317 18989 12255 1 17 . 1 1 116 116 ARG CB C 116 30.000 30.000 30.000 -0.000 18989 12256 1 17 . 1 1 117 117 PHE N N 117 120.800 120.800 120.862 -0.062 18989 12257 1 17 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.141 0.329 18989 12258 1 17 . 1 1 117 117 PHE C C 117 178.100 178.100 177.316 0.784 18989 12259 1 17 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.849 -0.649 18989 12260 1 17 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.886 0.114 18989 12261 1 17 . 1 1 118 118 PHE N N 118 119.600 119.600 117.780 1.820 18989 12262 1 17 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.245 -0.015 18989 12263 1 17 . 1 1 118 118 PHE C C 118 178.500 178.500 177.660 0.840 18989 12264 1 17 . 1 1 118 118 PHE CA C 118 62.300 62.300 62.565 -0.265 18989 12265 1 17 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.597 0.603 18989 12266 1 17 . 1 1 119 119 HIS N N 119 120.900 120.900 119.124 1.776 18989 12267 1 17 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.357 0.263 18989 12268 1 17 . 1 1 119 119 HIS C C 119 178.500 178.500 177.288 1.212 18989 12269 1 17 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.226 0.674 18989 12270 1 17 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.065 -0.365 18989 12271 1 17 . 1 1 120 120 ASP N N 120 120.400 120.400 118.221 2.179 18989 12272 1 17 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.441 -0.111 18989 12273 1 17 . 1 1 120 120 ASP C C 120 177.500 177.500 177.320 0.180 18989 12274 1 17 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.262 0.938 18989 12275 1 17 . 1 1 120 120 ASP CB C 120 40.500 40.500 41.191 -0.691 18989 12276 1 17 . 1 1 121 121 LYS N N 121 118.100 118.100 119.094 -0.994 18989 12277 1 17 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.968 -0.158 18989 12278 1 17 . 1 1 121 121 LYS C C 121 178.200 178.200 178.121 0.079 18989 12279 1 17 . 1 1 121 121 LYS CA C 121 58.100 58.100 58.039 0.061 18989 12280 1 17 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.305 0.895 18989 12281 1 17 . 1 1 122 122 PHE N N 122 112.800 112.800 116.822 -4.022 18989 12282 1 17 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.462 0.218 18989 12283 1 17 . 1 1 122 122 PHE C C 122 177.600 177.600 177.544 0.056 18989 12284 1 17 . 1 1 122 122 PHE CA C 122 58.100 58.100 60.115 -2.015 18989 12285 1 17 . 1 1 122 122 PHE CB C 122 40.000 40.000 39.813 0.187 18989 12286 1 17 . 1 1 123 123 GLY N N 123 112.200 112.200 106.876 5.324 18989 12287 1 17 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.341 0.959 18989 12288 1 17 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.428 0.152 18989 12289 1 17 . 1 1 124 124 ASP C C 124 177.700 177.700 178.267 -0.567 18989 12290 1 17 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.734 0.066 18989 12291 1 17 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.897 -0.797 18989 12292 1 17 . 1 1 125 125 LYS N N 125 118.400 118.400 118.423 -0.023 18989 12293 1 17 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.101 0.569 18989 12294 1 17 . 1 1 125 125 LYS C C 125 177.100 177.100 177.394 -0.294 18989 12295 1 17 . 1 1 125 125 LYS CA C 125 56.000 56.000 58.220 -2.220 18989 12296 1 17 . 1 1 125 125 LYS CB C 125 32.300 32.300 31.441 0.859 18989 12297 1 17 . 1 1 126 126 SER N N 126 116.600 116.600 116.305 0.295 18989 12298 1 17 . 1 1 126 126 SER HA H 126 3.830 3.830 4.280 -0.450 18989 12299 1 17 . 1 1 126 126 SER C C 126 175.700 175.700 176.277 -0.577 18989 12300 1 17 . 1 1 126 126 SER CA C 126 62.700 62.700 61.389 1.312 18989 12301 1 17 . 1 1 126 126 SER CB C 126 63.000 63.000 62.779 0.221 18989 12302 1 17 . 1 1 127 127 ILE N N 127 122.300 122.300 121.771 0.529 18989 12303 1 17 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.731 0.079 18989 12304 1 17 . 1 1 127 127 ILE C C 127 178.500 178.500 177.277 1.223 18989 12305 1 17 . 1 1 127 127 ILE CA C 127 65.000 65.000 64.865 0.135 18989 12306 1 17 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.853 -1.053 18989 12307 1 17 . 1 1 128 128 GLU N N 128 120.500 120.500 118.581 1.919 18989 12308 1 17 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.900 0.200 18989 12309 1 17 . 1 1 128 128 GLU C C 128 179.400 179.400 178.588 0.812 18989 12310 1 17 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.073 0.227 18989 12311 1 17 . 1 1 128 128 GLU CB C 128 29.700 29.700 28.880 0.820 18989 12312 1 17 . 1 1 129 129 GLU N N 129 118.800 118.800 121.134 -2.334 18989 12313 1 17 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.859 0.051 18989 12314 1 17 . 1 1 129 129 GLU C C 129 179.900 179.900 178.704 1.196 18989 12315 1 17 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.708 0.292 18989 12316 1 17 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.000 0.200 18989 12317 1 17 . 1 1 130 130 ILE N N 130 122.700 122.700 115.526 7.174 18989 12318 1 17 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.767 -0.287 18989 12319 1 17 . 1 1 130 130 ILE C C 130 177.600 177.600 177.905 -0.305 18989 12320 1 17 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.141 2.259 18989 12321 1 17 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.677 0.623 18989 12322 1 17 . 1 1 131 131 GLU N N 131 120.100 120.100 121.722 -1.622 18989 12323 1 17 . 1 1 131 131 GLU HA H 131 4.390 4.390 4.000 0.390 18989 12324 1 17 . 1 1 131 131 GLU C C 131 178.800 178.800 178.451 0.349 18989 12325 1 17 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.248 -0.648 18989 12326 1 17 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.128 -0.228 18989 12327 1 17 . 1 1 132 132 LYS N N 132 118.300 118.300 119.594 -1.294 18989 12328 1 17 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.863 0.097 18989 12329 1 17 . 1 1 132 132 LYS C C 132 180.400 180.400 179.365 1.035 18989 12330 1 17 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.647 0.653 18989 12331 1 17 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.212 0.487 18989 12332 1 17 . 1 1 133 133 ARG N N 133 118.400 118.400 117.537 0.863 18989 12333 1 17 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.889 0.171 18989 12334 1 17 . 1 1 133 133 ARG C C 133 178.600 178.600 178.585 0.015 18989 12335 1 17 . 1 1 133 133 ARG CA C 133 58.000 58.000 57.842 0.158 18989 12336 1 17 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.618 -0.218 18989 12337 1 17 . 1 1 134 134 ARG N N 134 122.500 122.500 120.703 1.797 18989 12338 1 17 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.129 -0.519 18989 12339 1 17 . 1 1 134 134 ARG C C 134 177.600 177.600 178.505 -0.905 18989 12340 1 17 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.296 0.104 18989 12341 1 17 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.119 0.881 18989 12342 1 17 . 1 1 135 135 LEU N N 135 118.200 118.200 119.316 -1.116 18989 12343 1 17 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.881 -0.071 18989 12344 1 17 . 1 1 135 135 LEU C C 135 179.700 179.700 178.685 1.015 18989 12345 1 17 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.570 0.130 18989 12346 1 17 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.590 -0.190 18989 12347 1 17 . 1 1 136 136 ALA N N 136 120.400 120.400 120.230 0.170 18989 12348 1 17 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.853 0.177 18989 12349 1 17 . 1 1 136 136 ALA C C 136 180.500 180.500 178.421 2.079 18989 12350 1 17 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.848 -0.148 18989 12351 1 17 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.856 0.244 18989 12352 1 17 . 1 1 137 137 ALA N N 137 123.200 123.200 120.287 2.913 18989 12353 1 17 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.718 0.182 18989 12354 1 17 . 1 1 137 137 ALA C C 137 178.700 178.700 179.345 -0.645 18989 12355 1 17 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.393 0.907 18989 12356 1 17 . 1 1 137 137 ALA CB C 137 15.800 15.800 18.303 -2.503 18989 12357 1 17 . 1 1 138 138 ILE N N 138 115.400 115.400 117.195 -1.795 18989 12358 1 17 . 1 1 138 138 ILE HA H 138 2.830 2.830 2.137 0.693 18989 12359 1 17 . 1 1 138 138 ILE C C 138 177.800 177.800 177.364 0.436 18989 12360 1 17 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.023 0.176 18989 12361 1 17 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.564 -0.164 18989 12362 1 17 . 1 1 139 139 THR N N 139 109.500 109.500 113.360 -3.860 18989 12363 1 17 . 1 1 139 139 THR HA H 139 4.150 4.150 4.283 -0.133 18989 12364 1 17 . 1 1 139 139 THR C C 139 177.300 177.300 176.516 0.784 18989 12365 1 17 . 1 1 139 139 THR CA C 139 64.000 64.000 64.518 -0.518 18989 12366 1 17 . 1 1 139 139 THR CB C 139 69.600 69.600 69.318 0.282 18989 12367 1 17 . 1 1 140 140 GLY N N 140 110.800 110.800 109.882 0.918 18989 12368 1 17 . 1 1 140 140 GLY C C 140 176.700 176.700 175.980 0.720 18989 12369 1 17 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.647 0.153 18989 12370 1 17 . 1 1 141 141 ILE N N 141 122.700 122.700 122.064 0.636 18989 12371 1 17 . 1 1 141 141 ILE HA H 141 4.160 4.160 3.970 0.190 18989 12372 1 17 . 1 1 141 141 ILE CA C 141 68.300 68.300 67.049 1.251 18989 12373 1 17 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.139 0.161 18989 12374 1 17 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.565 -0.215 18989 12375 1 17 . 1 1 142 142 PRO C C 142 179.300 179.300 179.192 0.108 18989 12376 1 17 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.658 1.042 18989 12377 1 17 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.046 0.154 18989 12378 1 17 . 1 1 143 143 GLU N N 143 113.900 113.900 119.263 -5.363 18989 12379 1 17 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.031 0.139 18989 12380 1 17 . 1 1 143 143 GLU C C 143 179.600 179.600 178.804 0.796 18989 12381 1 17 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.745 -0.445 18989 12382 1 17 . 1 1 143 143 GLU CB C 143 30.000 30.000 29.394 0.606 18989 12383 1 17 . 1 1 144 144 THR N N 144 119.900 119.900 116.977 2.923 18989 12384 1 17 . 1 1 144 144 THR HA H 144 4.290 4.290 4.092 0.198 18989 12385 1 17 . 1 1 144 144 THR C C 144 175.800 175.800 177.016 -1.216 18989 12386 1 17 . 1 1 144 144 THR CA C 144 67.000 67.000 66.414 0.586 18989 12387 1 17 . 1 1 144 144 THR CB C 144 69.500 69.500 68.609 0.891 18989 12388 1 17 . 1 1 145 145 LEU N N 145 120.300 120.300 121.645 -1.345 18989 12389 1 17 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.104 -0.194 18989 12390 1 17 . 1 1 145 145 LEU C C 145 178.700 178.700 178.780 -0.080 18989 12391 1 17 . 1 1 145 145 LEU CA C 145 58.600 58.600 58.104 0.496 18989 12392 1 17 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.919 -0.419 18989 12393 1 17 . 1 1 146 146 VAL N N 146 117.600 117.600 117.894 -0.294 18989 12394 1 17 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.878 -0.198 18989 12395 1 17 . 1 1 146 146 VAL C C 146 177.700 177.700 178.398 -0.698 18989 12396 1 17 . 1 1 146 146 VAL CA C 146 66.100 66.100 65.100 1.000 18989 12397 1 17 . 1 1 146 146 VAL CB C 146 32.000 32.000 30.543 1.457 18989 12398 1 17 . 1 1 147 147 ALA N N 147 123.600 123.600 123.866 -0.266 18989 12399 1 17 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.102 0.128 18989 12400 1 17 . 1 1 147 147 ALA C C 147 180.400 180.400 180.078 0.322 18989 12401 1 17 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.396 0.204 18989 12402 1 17 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.249 0.551 18989 12403 1 17 . 1 1 148 148 ILE N N 148 119.600 119.600 118.144 1.456 18989 12404 1 17 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.734 -0.424 18989 12405 1 17 . 1 1 148 148 ILE C C 148 177.100 177.100 177.800 -0.700 18989 12406 1 17 . 1 1 148 148 ILE CA C 148 66.300 66.300 64.496 1.804 18989 12407 1 17 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.960 0.240 18989 12408 1 17 . 1 1 149 149 GLN N N 149 119.200 119.200 120.280 -1.080 18989 12409 1 17 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.916 -0.246 18989 12410 1 17 . 1 1 149 149 GLN C C 149 178.000 178.000 177.883 0.117 18989 12411 1 17 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.379 0.721 18989 12412 1 17 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.829 0.771 18989 12413 1 17 . 1 1 150 150 ARG N N 150 120.500 120.500 119.537 0.963 18989 12414 1 17 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.071 -0.021 18989 12415 1 17 . 1 1 150 150 ARG C C 150 179.000 179.000 178.610 0.390 18989 12416 1 17 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.271 0.029 18989 12417 1 17 . 1 1 150 150 ARG CB C 150 30.000 30.000 30.024 -0.024 18989 12418 1 17 . 1 1 151 151 ILE N N 151 119.100 119.100 119.355 -0.255 18989 12419 1 17 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.772 -0.122 18989 12420 1 17 . 1 1 151 151 ILE C C 151 178.500 178.500 177.272 1.228 18989 12421 1 17 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.546 0.754 18989 12422 1 17 . 1 1 151 151 ILE CB C 151 39.000 39.000 38.064 0.936 18989 12423 1 17 . 1 1 152 152 LEU N N 152 117.100 117.100 119.245 -2.145 18989 12424 1 17 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.889 0.191 18989 12425 1 17 . 1 1 152 152 LEU C C 152 178.700 178.700 179.183 -0.483 18989 12426 1 17 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.675 -0.675 18989 12427 1 17 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.668 1.232 18989 12428 1 17 . 1 1 153 153 GLU N N 153 117.800 117.800 118.291 -0.491 18989 12429 1 17 . 1 1 153 153 GLU HA H 153 4.170 4.170 4.024 0.146 18989 12430 1 17 . 1 1 153 153 GLU C C 153 178.300 178.300 179.265 -0.965 18989 12431 1 17 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.340 -0.640 18989 12432 1 17 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.677 -0.378 18989 12433 1 17 . 1 1 154 154 VAL N N 154 119.500 119.500 119.419 0.081 18989 12434 1 17 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.871 0.129 18989 12435 1 17 . 1 1 154 154 VAL C C 154 177.500 177.500 177.353 0.147 18989 12436 1 17 . 1 1 154 154 VAL CA C 154 64.700 64.700 65.494 -0.794 18989 12437 1 17 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.852 0.349 18989 12438 1 17 . 1 1 155 155 GLU N N 155 121.300 121.300 117.990 3.310 18989 12439 1 17 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.239 -0.059 18989 12440 1 17 . 1 1 155 155 GLU C C 155 177.600 177.600 178.411 -0.811 18989 12441 1 17 . 1 1 155 155 GLU CA C 155 58.000 58.000 57.001 0.999 18989 12442 1 17 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.309 0.391 18989 12443 1 17 . 1 1 156 156 LEU N N 156 120.800 120.800 118.557 2.243 18989 12444 1 17 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.318 -0.088 18989 12445 1 17 . 1 1 156 156 LEU C C 156 178.000 178.000 177.902 0.098 18989 12446 1 17 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.098 -0.898 18989 12447 1 17 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.417 -0.117 18989 12448 1 17 . 1 1 157 157 GLU N N 157 119.700 119.700 116.520 3.180 18989 12449 1 17 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.359 -0.229 18989 12450 1 17 . 1 1 157 157 GLU C C 157 177.000 177.000 176.222 0.778 18989 12451 1 17 . 1 1 157 157 GLU CA C 157 57.400 57.400 55.711 1.689 18989 12452 1 17 . 1 1 157 157 GLU CB C 157 29.800 29.800 30.821 -1.021 18989 12453 1 17 . 1 1 158 158 HIS N N 158 117.700 117.700 119.699 -1.999 18989 12454 1 17 . 1 1 158 158 HIS HA H 158 4.630 4.630 3.995 0.635 18989 12455 1 17 . 1 1 158 158 HIS C C 158 173.900 173.900 174.066 -0.166 18989 12456 1 17 . 1 1 158 158 HIS CA C 158 56.000 56.000 57.919 -1.919 18989 12457 1 17 . 1 1 158 158 HIS CB C 158 30.000 30.000 29.305 0.695 18989 12458 1 17 . 1 1 159 159 HIS N N 159 125.200 125.200 119.308 5.892 18989 12459 1 17 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.396 0.044 18989 12460 1 17 . 1 1 159 159 HIS CA C 159 57.300 57.300 56.639 0.661 18989 12461 1 17 . 1 1 159 159 HIS CB C 159 28.800 28.800 29.114 -0.314 18989 12462 1 18 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.607 -0.207 18989 12463 1 18 . 1 1 2 2 PRO CA C 2 62.400 62.400 63.049 -0.649 18989 12464 1 18 . 1 1 2 2 PRO CB C 2 32.800 32.800 31.957 0.842 18989 12465 1 18 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.120 0.360 18989 12466 1 18 . 1 1 3 3 LYS C C 3 176.600 176.600 176.581 0.019 18989 12467 1 18 . 1 1 3 3 LYS CA C 3 55.900 55.900 57.710 -1.810 18989 12468 1 18 . 1 1 3 3 LYS CB C 3 34.200 34.200 32.772 1.428 18989 12469 1 18 . 1 1 4 4 SER N N 4 117.800 117.800 110.872 6.928 18989 12470 1 18 . 1 1 4 4 SER HA H 4 4.220 4.220 4.436 -0.216 18989 12471 1 18 . 1 1 4 4 SER C C 4 174.100 174.100 172.353 1.747 18989 12472 1 18 . 1 1 4 4 SER CA C 4 59.700 59.700 57.857 1.843 18989 12473 1 18 . 1 1 4 4 SER CB C 4 63.700 63.700 64.021 -0.321 18989 12474 1 18 . 1 1 5 5 LEU N N 5 124.700 124.700 121.076 3.624 18989 12475 1 18 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.752 0.048 18989 12476 1 18 . 1 1 5 5 LEU C C 5 175.500 175.500 174.925 0.575 18989 12477 1 18 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.017 -0.017 18989 12478 1 18 . 1 1 5 5 LEU CB C 5 43.200 43.200 40.766 2.434 18989 12479 1 18 . 1 1 6 6 THR N N 6 111.200 111.200 114.122 -2.922 18989 12480 1 18 . 1 1 6 6 THR HA H 6 5.620 5.620 4.570 1.050 18989 12481 1 18 . 1 1 6 6 THR C C 6 174.500 174.500 173.412 1.088 18989 12482 1 18 . 1 1 6 6 THR CA C 6 59.700 59.700 60.995 -1.295 18989 12483 1 18 . 1 1 6 6 THR CB C 6 73.000 73.000 70.309 2.691 18989 12484 1 18 . 1 1 7 7 PHE N N 7 120.700 120.700 125.714 -5.014 18989 12485 1 18 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.889 -0.139 18989 12486 1 18 . 1 1 7 7 PHE C C 7 172.100 172.100 173.212 -1.112 18989 12487 1 18 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.341 1.959 18989 12488 1 18 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.142 0.358 18989 12489 1 18 . 1 1 8 8 GLU N N 8 122.100 122.100 124.418 -2.318 18989 12490 1 18 . 1 1 8 8 GLU HA H 8 5.380 5.380 5.242 0.138 18989 12491 1 18 . 1 1 8 8 GLU C C 8 172.500 172.500 174.398 -1.898 18989 12492 1 18 . 1 1 8 8 GLU CA C 8 54.500 54.500 53.997 0.503 18989 12493 1 18 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.477 0.023 18989 12494 1 18 . 1 1 9 9 ASP N N 9 117.400 117.400 119.739 -2.339 18989 12495 1 18 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.767 0.053 18989 12496 1 18 . 1 1 9 9 ASP C C 9 173.500 173.500 174.073 -0.573 18989 12497 1 18 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.683 -0.583 18989 12498 1 18 . 1 1 9 9 ASP CB C 9 45.100 45.100 43.983 1.117 18989 12499 1 18 . 1 1 10 10 SER N N 10 113.600 113.600 117.534 -3.934 18989 12500 1 18 . 1 1 10 10 SER HA H 10 5.990 5.990 5.470 0.520 18989 12501 1 18 . 1 1 10 10 SER C C 10 172.600 172.600 173.570 -0.970 18989 12502 1 18 . 1 1 10 10 SER CA C 10 57.300 57.300 56.594 0.706 18989 12503 1 18 . 1 1 10 10 SER CB C 10 68.100 68.100 65.948 2.151 18989 12504 1 18 . 1 1 11 11 ILE N N 11 122.700 122.700 121.728 0.972 18989 12505 1 18 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.500 0.020 18989 12506 1 18 . 1 1 11 11 ILE C C 11 171.300 171.300 173.126 -1.826 18989 12507 1 18 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.137 0.863 18989 12508 1 18 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.340 1.060 18989 12509 1 18 . 1 1 12 12 ASN N N 12 124.600 124.600 125.294 -0.694 18989 12510 1 18 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.980 0.300 18989 12511 1 18 . 1 1 12 12 ASN C C 12 174.700 174.700 174.590 0.110 18989 12512 1 18 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.440 -0.140 18989 12513 1 18 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.752 -0.152 18989 12514 1 18 . 1 1 13 13 ILE N N 13 122.900 122.900 122.407 0.493 18989 12515 1 18 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.455 -0.005 18989 12516 1 18 . 1 1 13 13 ILE C C 13 175.300 175.300 175.869 -0.569 18989 12517 1 18 . 1 1 13 13 ILE CA C 13 60.300 60.300 59.927 0.373 18989 12518 1 18 . 1 1 13 13 ILE CB C 13 41.600 41.600 40.648 0.952 18989 12519 1 18 . 1 1 14 14 ALA N N 14 136.600 136.600 126.269 10.331 18989 12520 1 18 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.418 0.282 18989 12521 1 18 . 1 1 14 14 ALA C C 14 175.100 175.100 176.225 -1.125 18989 12522 1 18 . 1 1 14 14 ALA CA C 14 51.000 51.000 52.114 -1.114 18989 12523 1 18 . 1 1 14 14 ALA CB C 14 16.300 16.300 19.175 -2.875 18989 12524 1 18 . 1 1 15 15 ALA N N 15 122.100 122.100 121.519 0.581 18989 12525 1 18 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.688 0.072 18989 12526 1 18 . 1 1 15 15 ALA CA C 15 50.000 50.000 48.818 1.182 18989 12527 1 18 . 1 1 15 15 ALA CB C 15 21.100 21.100 19.625 1.475 18989 12528 1 18 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.683 -0.073 18989 12529 1 18 . 1 1 16 16 PRO C C 16 179.200 179.200 178.025 1.175 18989 12530 1 18 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.564 -0.464 18989 12531 1 18 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.701 0.399 18989 12532 1 18 . 1 1 17 17 ILE N N 17 124.400 124.400 122.972 1.428 18989 12533 1 18 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.693 0.297 18989 12534 1 18 . 1 1 17 17 ILE C C 17 175.800 175.800 176.890 -1.090 18989 12535 1 18 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.680 1.020 18989 12536 1 18 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.216 0.484 18989 12537 1 18 . 1 1 18 18 ASN N N 18 117.200 117.200 117.466 -0.266 18989 12538 1 18 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.289 0.401 18989 12539 1 18 . 1 1 18 18 ASN C C 18 178.700 178.700 177.532 1.168 18989 12540 1 18 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.954 -1.154 18989 12541 1 18 . 1 1 18 18 ASN CB C 18 37.100 37.100 37.664 -0.564 18989 12542 1 18 . 1 1 19 19 GLN N N 19 120.300 120.300 118.371 1.929 18989 12543 1 18 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.321 -0.201 18989 12544 1 18 . 1 1 19 19 GLN C C 19 178.500 178.500 177.678 0.822 18989 12545 1 18 . 1 1 19 19 GLN CA C 19 58.300 58.300 57.970 0.330 18989 12546 1 18 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.750 -0.450 18989 12547 1 18 . 1 1 20 20 VAL N N 20 120.300 120.300 122.723 -2.423 18989 12548 1 18 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.690 -0.240 18989 12549 1 18 . 1 1 20 20 VAL C C 20 177.500 177.500 177.923 -0.423 18989 12550 1 18 . 1 1 20 20 VAL CA C 20 66.200 66.200 67.274 -1.074 18989 12551 1 18 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.580 -0.680 18989 12552 1 18 . 1 1 21 21 TYR N N 21 118.800 118.800 120.730 -1.930 18989 12553 1 18 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.095 -0.515 18989 12554 1 18 . 1 1 21 21 TYR C C 21 177.800 177.800 177.416 0.384 18989 12555 1 18 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.489 1.411 18989 12556 1 18 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.262 0.138 18989 12557 1 18 . 1 1 22 22 ALA N N 22 120.400 120.400 122.943 -2.543 18989 12558 1 18 . 1 1 22 22 ALA HA H 22 3.760 3.760 4.006 -0.246 18989 12559 1 18 . 1 1 22 22 ALA C C 22 178.000 178.000 179.224 -1.224 18989 12560 1 18 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.904 -0.204 18989 12561 1 18 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.565 -0.065 18989 12562 1 18 . 1 1 23 23 LEU N N 23 116.400 116.400 116.246 0.154 18989 12563 1 18 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.206 0.024 18989 12564 1 18 . 1 1 23 23 LEU C C 23 177.200 177.200 178.492 -1.292 18989 12565 1 18 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.338 1.662 18989 12566 1 18 . 1 1 23 23 LEU CB C 23 42.400 42.400 40.925 1.475 18989 12567 1 18 . 1 1 24 24 VAL N N 24 128.600 128.600 118.500 10.100 18989 12568 1 18 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.627 -0.267 18989 12569 1 18 . 1 1 24 24 VAL C C 24 175.200 175.200 177.195 -1.995 18989 12570 1 18 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.695 -0.395 18989 12571 1 18 . 1 1 24 24 VAL CB C 24 30.800 30.800 31.890 -1.090 18989 12572 1 18 . 1 1 25 25 SER N N 25 108.500 108.500 113.043 -4.543 18989 12573 1 18 . 1 1 25 25 SER HA H 25 2.520 2.520 4.095 -1.575 18989 12574 1 18 . 1 1 25 25 SER CA C 25 58.200 58.200 59.828 -1.628 18989 12575 1 18 . 1 1 25 25 SER CB C 25 63.600 63.600 63.388 0.212 18989 12576 1 18 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.295 0.615 18989 12577 1 18 . 1 1 26 26 ASP C C 26 175.500 175.500 176.149 -0.649 18989 12578 1 18 . 1 1 26 26 ASP CA C 26 51.200 51.200 55.004 -3.804 18989 12579 1 18 . 1 1 26 26 ASP CB C 26 38.100 38.100 40.196 -2.096 18989 12580 1 18 . 1 1 27 27 ILE N N 27 123.500 123.500 118.838 4.662 18989 12581 1 18 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.208 -0.818 18989 12582 1 18 . 1 1 27 27 ILE C C 27 178.900 178.900 176.241 2.659 18989 12583 1 18 . 1 1 27 27 ILE CA C 27 61.700 61.700 61.904 -0.204 18989 12584 1 18 . 1 1 27 27 ILE CB C 27 36.600 36.600 39.050 -2.450 18989 12585 1 18 . 1 1 28 28 THR N N 28 112.500 112.500 112.551 -0.051 18989 12586 1 18 . 1 1 28 28 THR HA H 28 4.350 4.350 4.062 0.288 18989 12587 1 18 . 1 1 28 28 THR C C 28 176.500 176.500 175.979 0.521 18989 12588 1 18 . 1 1 28 28 THR CA C 28 64.000 64.000 61.923 2.077 18989 12589 1 18 . 1 1 28 28 THR CB C 28 68.600 68.600 68.459 0.141 18989 12590 1 18 . 1 1 29 29 ARG N N 29 121.100 121.100 121.200 -0.100 18989 12591 1 18 . 1 1 29 29 ARG HA H 29 4.280 4.280 3.931 0.349 18989 12592 1 18 . 1 1 29 29 ARG CA C 29 56.200 56.200 58.393 -2.193 18989 12593 1 18 . 1 1 29 29 ARG CB C 29 30.600 30.600 29.460 1.140 18989 12594 1 18 . 1 1 30 30 THR HA H 30 5.870 5.870 4.345 1.525 18989 12595 1 18 . 1 1 30 30 THR C C 30 174.000 174.000 175.121 -1.121 18989 12596 1 18 . 1 1 30 30 THR CA C 30 66.000 66.000 63.925 2.075 18989 12597 1 18 . 1 1 30 30 THR CB C 30 69.400 69.400 70.119 -0.719 18989 12598 1 18 . 1 1 31 31 GLY N N 31 106.200 106.200 110.743 -4.543 18989 12599 1 18 . 1 1 31 31 GLY C C 31 175.200 175.200 173.258 1.942 18989 12600 1 18 . 1 1 31 31 GLY CA C 31 46.200 46.200 45.533 0.667 18989 12601 1 18 . 1 1 32 32 GLU N N 32 118.400 118.400 119.340 -0.940 18989 12602 1 18 . 1 1 32 32 GLU HA H 32 3.970 3.970 3.992 -0.022 18989 12603 1 18 . 1 1 32 32 GLU C C 32 177.500 177.500 175.907 1.593 18989 12604 1 18 . 1 1 32 32 GLU CA C 32 58.800 58.800 54.886 3.914 18989 12605 1 18 . 1 1 32 32 GLU CB C 32 29.800 29.800 30.602 -0.802 18989 12606 1 18 . 1 1 33 33 TRP N N 33 113.200 113.200 120.932 -7.732 18989 12607 1 18 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.483 0.457 18989 12608 1 18 . 1 1 33 33 TRP C C 33 175.300 175.300 176.610 -1.310 18989 12609 1 18 . 1 1 33 33 TRP CA C 33 56.400 56.400 58.288 -1.889 18989 12610 1 18 . 1 1 33 33 TRP CB C 33 30.600 30.600 29.592 1.008 18989 12611 1 18 . 1 1 34 34 SER N N 34 118.600 118.600 113.426 5.174 18989 12612 1 18 . 1 1 34 34 SER HA H 34 4.930 4.930 4.804 0.126 18989 12613 1 18 . 1 1 34 34 SER CA C 34 54.700 54.700 55.770 -1.070 18989 12614 1 18 . 1 1 34 34 SER CB C 34 63.000 63.000 64.454 -1.454 18989 12615 1 18 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.552 -0.092 18989 12616 1 18 . 1 1 35 35 PRO C C 35 177.100 177.100 177.202 -0.102 18989 12617 1 18 . 1 1 35 35 PRO CA C 35 64.500 64.500 62.611 1.889 18989 12618 1 18 . 1 1 35 35 PRO CB C 35 32.300 32.300 32.756 -0.456 18989 12619 1 18 . 1 1 36 36 VAL N N 36 113.900 113.900 112.959 0.941 18989 12620 1 18 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.331 -0.231 18989 12621 1 18 . 1 1 36 36 VAL C C 36 174.200 174.200 176.025 -1.825 18989 12622 1 18 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.658 0.242 18989 12623 1 18 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.715 0.784 18989 12624 1 18 . 1 1 37 37 CYS N N 37 121.000 121.000 119.613 1.387 18989 12625 1 18 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.839 -0.379 18989 12626 1 18 . 1 1 37 37 CYS C C 37 173.600 173.600 175.144 -1.544 18989 12627 1 18 . 1 1 37 37 CYS CA C 37 58.500 58.500 58.535 -0.035 18989 12628 1 18 . 1 1 37 37 CYS CB C 37 27.000 27.000 27.574 -0.574 18989 12629 1 18 . 1 1 38 38 GLU N N 38 129.300 129.300 127.267 2.033 18989 12630 1 18 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.180 -0.040 18989 12631 1 18 . 1 1 38 38 GLU C C 38 176.500 176.500 176.374 0.126 18989 12632 1 18 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.474 -0.573 18989 12633 1 18 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.812 0.988 18989 12634 1 18 . 1 1 39 39 LYS N N 39 117.100 117.100 119.136 -2.036 18989 12635 1 18 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.485 -0.015 18989 12636 1 18 . 1 1 39 39 LYS C C 39 173.600 173.600 174.275 -0.675 18989 12637 1 18 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.626 0.174 18989 12638 1 18 . 1 1 39 39 LYS CB C 39 36.500 36.500 34.697 1.803 18989 12639 1 18 . 1 1 40 40 CYS N N 40 125.100 125.100 121.008 4.092 18989 12640 1 18 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.377 0.033 18989 12641 1 18 . 1 1 40 40 CYS C C 40 173.000 173.000 174.278 -1.278 18989 12642 1 18 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.209 -0.109 18989 12643 1 18 . 1 1 40 40 CYS CB C 40 30.100 30.100 30.771 -0.671 18989 12644 1 18 . 1 1 41 41 TRP N N 41 124.300 124.300 125.475 -1.175 18989 12645 1 18 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.919 -0.089 18989 12646 1 18 . 1 1 41 41 TRP C C 41 174.100 174.100 175.543 -1.443 18989 12647 1 18 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.733 -0.434 18989 12648 1 18 . 1 1 41 41 TRP CB C 41 32.400 32.400 30.331 2.069 18989 12649 1 18 . 1 1 42 42 TRP N N 42 123.700 123.700 127.662 -3.962 18989 12650 1 18 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.772 0.058 18989 12651 1 18 . 1 1 42 42 TRP C C 42 178.200 178.200 176.632 1.568 18989 12652 1 18 . 1 1 42 42 TRP CA C 42 57.000 57.000 54.833 2.167 18989 12653 1 18 . 1 1 42 42 TRP CB C 42 31.600 31.600 30.645 0.955 18989 12654 1 18 . 1 1 43 43 ASP N N 43 124.400 124.400 127.567 -3.167 18989 12655 1 18 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.232 0.448 18989 12656 1 18 . 1 1 43 43 ASP C C 43 176.300 176.300 176.917 -0.617 18989 12657 1 18 . 1 1 43 43 ASP CA C 43 56.300 56.300 57.018 -0.718 18989 12658 1 18 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.197 0.103 18989 12659 1 18 . 1 1 44 44 GLU N N 44 119.400 119.400 119.339 0.061 18989 12660 1 18 . 1 1 44 44 GLU HA H 44 4.270 4.270 3.591 0.679 18989 12661 1 18 . 1 1 44 44 GLU C C 44 176.500 176.500 177.462 -0.962 18989 12662 1 18 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.514 -0.914 18989 12663 1 18 . 1 1 44 44 GLU CB C 44 30.200 30.200 28.013 2.187 18989 12664 1 18 . 1 1 45 45 ASP N N 45 118.300 118.300 119.055 -0.755 18989 12665 1 18 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.299 0.181 18989 12666 1 18 . 1 1 45 45 ASP C C 45 175.900 175.900 177.909 -2.009 18989 12667 1 18 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.643 -0.643 18989 12668 1 18 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.798 -0.598 18989 12669 1 18 . 1 1 46 46 GLU N N 46 118.200 118.200 118.571 -0.371 18989 12670 1 18 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.351 0.109 18989 12671 1 18 . 1 1 46 46 GLU C C 46 175.200 175.200 177.113 -1.913 18989 12672 1 18 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.464 0.136 18989 12673 1 18 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.808 -0.008 18989 12674 1 18 . 1 1 47 47 GLY N N 47 106.400 106.400 109.509 -3.109 18989 12675 1 18 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.214 -0.614 18989 12676 1 18 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.354 0.236 18989 12677 1 18 . 1 1 48 48 PRO C C 48 173.400 173.400 176.652 -3.252 18989 12678 1 18 . 1 1 48 48 PRO CA C 48 63.100 63.100 63.782 -0.682 18989 12679 1 18 . 1 1 48 48 PRO CB C 48 29.100 29.100 32.377 -3.277 18989 12680 1 18 . 1 1 49 49 VAL N N 49 121.900 121.900 111.638 10.262 18989 12681 1 18 . 1 1 49 49 VAL HA H 49 4.610 4.610 3.733 0.877 18989 12682 1 18 . 1 1 49 49 VAL C C 49 175.100 175.100 175.188 -0.088 18989 12683 1 18 . 1 1 49 49 VAL CA C 49 59.300 59.300 63.611 -4.311 18989 12684 1 18 . 1 1 49 49 VAL CB C 49 35.500 35.500 30.967 4.533 18989 12685 1 18 . 1 1 50 50 VAL N N 50 121.700 121.700 123.456 -1.756 18989 12686 1 18 . 1 1 50 50 VAL HA H 50 3.300 3.300 4.106 -0.806 18989 12687 1 18 . 1 1 50 50 VAL C C 50 177.400 177.400 176.449 0.951 18989 12688 1 18 . 1 1 50 50 VAL CA C 50 66.200 66.200 62.202 3.998 18989 12689 1 18 . 1 1 50 50 VAL CB C 50 31.300 31.300 29.844 1.456 18989 12690 1 18 . 1 1 51 51 GLY N N 51 115.800 115.800 115.739 0.061 18989 12691 1 18 . 1 1 51 51 GLY C C 51 174.200 174.200 172.606 1.594 18989 12692 1 18 . 1 1 51 51 GLY CA C 51 44.600 44.600 45.296 -0.696 18989 12693 1 18 . 1 1 52 52 ALA N N 52 123.000 123.000 124.624 -1.624 18989 12694 1 18 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.808 -0.258 18989 12695 1 18 . 1 1 52 52 ALA C C 52 177.300 177.300 174.822 2.478 18989 12696 1 18 . 1 1 52 52 ALA CA C 52 52.800 52.800 50.827 1.973 18989 12697 1 18 . 1 1 52 52 ALA CB C 52 23.100 23.100 22.478 0.622 18989 12698 1 18 . 1 1 53 53 HIS N N 53 115.900 115.900 118.205 -2.305 18989 12699 1 18 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.903 0.117 18989 12700 1 18 . 1 1 53 53 HIS C C 53 174.200 174.200 174.857 -0.657 18989 12701 1 18 . 1 1 53 53 HIS CA C 53 55.200 55.200 55.383 -0.183 18989 12702 1 18 . 1 1 53 53 HIS CB C 53 32.100 32.100 33.648 -1.548 18989 12703 1 18 . 1 1 54 54 PHE N N 54 115.800 115.800 119.560 -3.760 18989 12704 1 18 . 1 1 54 54 PHE HA H 54 5.150 5.150 5.134 0.016 18989 12705 1 18 . 1 1 54 54 PHE C C 54 172.600 172.600 173.365 -0.765 18989 12706 1 18 . 1 1 54 54 PHE CA C 54 55.500 55.500 56.975 -1.475 18989 12707 1 18 . 1 1 54 54 PHE CB C 54 41.700 41.700 41.565 0.135 18989 12708 1 18 . 1 1 55 55 THR N N 55 118.300 118.300 115.438 2.862 18989 12709 1 18 . 1 1 55 55 THR HA H 55 4.770 4.770 5.348 -0.578 18989 12710 1 18 . 1 1 55 55 THR C C 55 171.800 171.800 174.642 -2.842 18989 12711 1 18 . 1 1 55 55 THR CA C 55 61.000 61.000 60.058 0.942 18989 12712 1 18 . 1 1 55 55 THR CB C 55 70.200 70.200 70.367 -0.167 18989 12713 1 18 . 1 1 56 56 GLY N N 56 110.500 110.500 110.611 -0.111 18989 12714 1 18 . 1 1 56 56 GLY C C 56 171.100 171.100 172.513 -1.413 18989 12715 1 18 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.828 -0.528 18989 12716 1 18 . 1 1 57 57 ARG N N 57 123.800 123.800 126.608 -2.808 18989 12717 1 18 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.507 0.153 18989 12718 1 18 . 1 1 57 57 ARG C C 57 172.900 172.900 175.018 -2.118 18989 12719 1 18 . 1 1 57 57 ARG CA C 57 55.300 55.300 55.375 -0.075 18989 12720 1 18 . 1 1 57 57 ARG CB C 57 32.500 32.500 30.682 1.818 18989 12721 1 18 . 1 1 58 58 ASN N N 58 127.200 127.200 125.672 1.528 18989 12722 1 18 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.251 -0.191 18989 12723 1 18 . 1 1 58 58 ASN C C 58 173.100 173.100 174.143 -1.043 18989 12724 1 18 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.703 -1.803 18989 12725 1 18 . 1 1 58 58 ASN CB C 58 38.800 38.800 39.369 -0.569 18989 12726 1 18 . 1 1 59 59 VAL N N 59 121.400 121.400 126.378 -4.978 18989 12727 1 18 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.390 0.290 18989 12728 1 18 . 1 1 59 59 VAL C C 59 175.100 175.100 174.020 1.080 18989 12729 1 18 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.569 1.831 18989 12730 1 18 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.684 1.116 18989 12731 1 18 . 1 1 60 60 THR N N 60 118.000 118.000 120.362 -2.362 18989 12732 1 18 . 1 1 60 60 THR HA H 60 5.000 5.000 4.991 0.009 18989 12733 1 18 . 1 1 60 60 THR CA C 60 58.900 58.900 58.632 0.268 18989 12734 1 18 . 1 1 60 60 THR CB C 60 70.200 70.200 70.232 -0.032 18989 12735 1 18 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.350 -0.070 18989 12736 1 18 . 1 1 61 61 PRO C C 61 177.700 177.700 177.459 0.241 18989 12737 1 18 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.784 0.716 18989 12738 1 18 . 1 1 61 61 PRO CB C 61 31.800 31.800 32.026 -0.226 18989 12739 1 18 . 1 1 62 62 GLU N N 62 111.700 111.700 118.088 -6.388 18989 12740 1 18 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.269 0.011 18989 12741 1 18 . 1 1 62 62 GLU C C 62 176.500 176.500 176.938 -0.438 18989 12742 1 18 . 1 1 62 62 GLU CA C 62 57.600 57.600 57.362 0.238 18989 12743 1 18 . 1 1 62 62 GLU CB C 62 31.000 31.000 29.924 1.076 18989 12744 1 18 . 1 1 63 63 ARG N N 63 118.000 118.000 118.124 -0.124 18989 12745 1 18 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.605 0.085 18989 12746 1 18 . 1 1 63 63 ARG C C 63 174.000 174.000 173.971 0.029 18989 12747 1 18 . 1 1 63 63 ARG CA C 63 56.700 56.700 56.194 0.506 18989 12748 1 18 . 1 1 63 63 ARG CB C 63 33.700 33.700 32.556 1.144 18989 12749 1 18 . 1 1 64 64 THR N N 64 120.700 120.700 123.585 -2.885 18989 12750 1 18 . 1 1 64 64 THR HA H 64 5.780 5.780 5.031 0.749 18989 12751 1 18 . 1 1 64 64 THR C C 64 174.000 174.000 173.343 0.657 18989 12752 1 18 . 1 1 64 64 THR CA C 64 61.600 61.600 62.279 -0.679 18989 12753 1 18 . 1 1 64 64 THR CB C 64 71.700 71.700 69.772 1.928 18989 12754 1 18 . 1 1 65 65 TRP N N 65 128.000 128.000 129.740 -1.740 18989 12755 1 18 . 1 1 65 65 TRP HA H 65 5.170 5.170 5.022 0.148 18989 12756 1 18 . 1 1 65 65 TRP C C 65 172.800 172.800 173.623 -0.823 18989 12757 1 18 . 1 1 65 65 TRP CA C 65 57.300 57.300 55.809 1.491 18989 12758 1 18 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.619 -0.719 18989 12759 1 18 . 1 1 66 66 GLU N N 66 120.800 120.800 122.276 -1.476 18989 12760 1 18 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.658 0.932 18989 12761 1 18 . 1 1 66 66 GLU C C 66 177.300 177.300 175.128 2.172 18989 12762 1 18 . 1 1 66 66 GLU CA C 66 54.200 54.200 54.695 -0.495 18989 12763 1 18 . 1 1 66 66 GLU CB C 66 32.700 32.700 32.795 -0.095 18989 12764 1 18 . 1 1 67 67 THR N N 67 113.700 113.700 117.948 -4.248 18989 12765 1 18 . 1 1 67 67 THR HA H 67 4.750 4.750 4.852 -0.102 18989 12766 1 18 . 1 1 67 67 THR C C 67 173.300 173.300 174.423 -1.123 18989 12767 1 18 . 1 1 67 67 THR CA C 67 59.500 59.500 61.010 -1.510 18989 12768 1 18 . 1 1 67 67 THR CB C 67 71.500 71.500 70.216 1.284 18989 12769 1 18 . 1 1 68 68 ARG N N 68 125.300 125.300 126.968 -1.668 18989 12770 1 18 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.632 0.228 18989 12771 1 18 . 1 1 68 68 ARG C C 68 175.700 175.700 175.160 0.540 18989 12772 1 18 . 1 1 68 68 ARG CA C 68 55.000 55.000 54.998 0.002 18989 12773 1 18 . 1 1 68 68 ARG CB C 68 31.700 31.700 29.648 2.052 18989 12774 1 18 . 1 1 69 69 SER N N 69 122.000 122.000 121.115 0.885 18989 12775 1 18 . 1 1 69 69 SER HA H 69 5.570 5.570 5.155 0.415 18989 12776 1 18 . 1 1 69 69 SER C C 69 172.200 172.200 173.183 -0.983 18989 12777 1 18 . 1 1 69 69 SER CA C 69 58.000 58.000 57.881 0.119 18989 12778 1 18 . 1 1 69 69 SER CB C 69 66.700 66.700 65.166 1.534 18989 12779 1 18 . 1 1 70 70 GLU N N 70 121.900 121.900 125.370 -3.470 18989 12780 1 18 . 1 1 70 70 GLU HA H 70 5.200 5.200 5.014 0.186 18989 12781 1 18 . 1 1 70 70 GLU C C 70 176.000 176.000 176.107 -0.107 18989 12782 1 18 . 1 1 70 70 GLU CA C 70 53.600 53.600 53.928 -0.328 18989 12783 1 18 . 1 1 70 70 GLU CB C 70 34.700 34.700 32.725 1.975 18989 12784 1 18 . 1 1 71 71 VAL N N 71 126.600 126.600 128.158 -1.558 18989 12785 1 18 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.372 -0.122 18989 12786 1 18 . 1 1 71 71 VAL C C 71 177.600 177.600 176.833 0.767 18989 12787 1 18 . 1 1 71 71 VAL CA C 71 64.800 64.800 62.849 1.951 18989 12788 1 18 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.287 1.913 18989 12789 1 18 . 1 1 72 72 ILE N N 72 123.200 123.200 123.811 -0.611 18989 12790 1 18 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.317 0.413 18989 12791 1 18 . 1 1 72 72 ILE C C 72 175.200 175.200 176.222 -1.022 18989 12792 1 18 . 1 1 72 72 ILE CA C 72 62.000 62.000 63.271 -1.271 18989 12793 1 18 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.610 0.990 18989 12794 1 18 . 1 1 73 73 VAL N N 73 121.700 121.700 117.351 4.349 18989 12795 1 18 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.425 -0.225 18989 12796 1 18 . 1 1 73 73 VAL C C 73 172.000 172.000 173.504 -1.504 18989 12797 1 18 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.440 0.660 18989 12798 1 18 . 1 1 73 73 VAL CB C 73 34.700 34.700 34.701 -0.001 18989 12799 1 18 . 1 1 74 74 ALA N N 74 131.100 131.100 128.902 2.198 18989 12800 1 18 . 1 1 74 74 ALA HA H 74 5.320 5.320 5.053 0.267 18989 12801 1 18 . 1 1 74 74 ALA C C 74 174.900 174.900 175.682 -0.782 18989 12802 1 18 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.232 1.468 18989 12803 1 18 . 1 1 74 74 ALA CB C 74 18.300 18.300 21.877 -3.576 18989 12804 1 18 . 1 1 75 75 GLU N N 75 126.100 126.100 124.090 2.010 18989 12805 1 18 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.773 0.197 18989 12806 1 18 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.618 -0.518 18989 12807 1 18 . 1 1 75 75 GLU CB C 75 31.300 31.300 29.819 1.481 18989 12808 1 18 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.132 -1.512 18989 12809 1 18 . 1 1 76 76 PRO CA C 76 63.900 63.900 65.056 -1.156 18989 12810 1 18 . 1 1 76 76 PRO CB C 76 31.900 31.900 32.016 -0.116 18989 12811 1 18 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.362 -0.602 18989 12812 1 18 . 1 1 77 77 ASN C C 77 172.700 172.700 173.852 -1.152 18989 12813 1 18 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.367 1.733 18989 12814 1 18 . 1 1 77 77 ASN CB C 77 36.900 36.900 38.388 -1.488 18989 12815 1 18 . 1 1 78 78 ARG N N 78 115.300 115.300 118.045 -2.745 18989 12816 1 18 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.892 0.008 18989 12817 1 18 . 1 1 78 78 ARG C C 78 176.000 176.000 174.602 1.398 18989 12818 1 18 . 1 1 78 78 ARG CA C 78 58.300 58.300 56.185 2.115 18989 12819 1 18 . 1 1 78 78 ARG CB C 78 34.000 34.000 32.797 1.203 18989 12820 1 18 . 1 1 79 79 CYS N N 79 117.700 117.700 117.837 -0.137 18989 12821 1 18 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.519 0.151 18989 12822 1 18 . 1 1 79 79 CYS C C 79 172.200 172.200 172.693 -0.493 18989 12823 1 18 . 1 1 79 79 CYS CA C 79 58.200 58.200 57.836 0.364 18989 12824 1 18 . 1 1 79 79 CYS CB C 79 29.500 29.500 30.390 -0.890 18989 12825 1 18 . 1 1 80 80 PHE N N 80 129.500 129.500 126.467 3.033 18989 12826 1 18 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.073 0.447 18989 12827 1 18 . 1 1 80 80 PHE C C 80 173.400 173.400 173.618 -0.218 18989 12828 1 18 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.572 1.327 18989 12829 1 18 . 1 1 80 80 PHE CB C 80 43.800 43.800 42.290 1.510 18989 12830 1 18 . 1 1 81 81 GLY N N 81 114.500 114.500 116.061 -1.561 18989 12831 1 18 . 1 1 81 81 GLY C C 81 171.900 171.900 172.627 -0.727 18989 12832 1 18 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.212 2.388 18989 12833 1 18 . 1 1 82 82 TRP N N 82 121.700 121.700 124.352 -2.652 18989 12834 1 18 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.620 0.170 18989 12835 1 18 . 1 1 82 82 TRP C C 82 171.500 171.500 173.716 -2.216 18989 12836 1 18 . 1 1 82 82 TRP CA C 82 57.400 57.400 52.789 4.611 18989 12837 1 18 . 1 1 82 82 TRP CB C 82 33.900 33.900 31.303 2.597 18989 12838 1 18 . 1 1 83 83 SER N N 83 113.600 113.600 117.939 -4.339 18989 12839 1 18 . 1 1 83 83 SER HA H 83 5.680 5.680 5.009 0.671 18989 12840 1 18 . 1 1 83 83 SER C C 83 174.500 174.500 174.236 0.264 18989 12841 1 18 . 1 1 83 83 SER CA C 83 54.800 54.800 57.154 -2.354 18989 12842 1 18 . 1 1 83 83 SER CB C 83 66.700 66.700 65.286 1.414 18989 12843 1 18 . 1 1 84 84 VAL N N 84 125.400 125.400 126.439 -1.039 18989 12844 1 18 . 1 1 84 84 VAL HA H 84 4.850 4.850 3.958 0.892 18989 12845 1 18 . 1 1 84 84 VAL C C 84 176.500 176.500 176.142 0.358 18989 12846 1 18 . 1 1 84 84 VAL CA C 84 61.400 61.400 63.747 -2.347 18989 12847 1 18 . 1 1 84 84 VAL CB C 84 34.600 34.600 32.231 2.369 18989 12848 1 18 . 1 1 85 85 THR N N 85 120.300 120.300 122.588 -2.288 18989 12849 1 18 . 1 1 85 85 THR HA H 85 3.720 3.720 3.944 -0.224 18989 12850 1 18 . 1 1 85 85 THR C C 85 173.500 173.500 174.094 -0.594 18989 12851 1 18 . 1 1 85 85 THR CA C 85 62.900 62.900 64.612 -1.712 18989 12852 1 18 . 1 1 85 85 THR CB C 85 66.600 66.600 66.925 -0.325 18989 12853 1 18 . 1 1 86 86 ASP N N 86 119.000 119.000 118.691 0.309 18989 12854 1 18 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.261 -0.041 18989 12855 1 18 . 1 1 86 86 ASP C C 86 177.100 177.100 176.137 0.963 18989 12856 1 18 . 1 1 86 86 ASP CA C 86 54.700 54.700 57.666 -2.966 18989 12857 1 18 . 1 1 86 86 ASP CB C 86 39.700 39.700 39.757 -0.057 18989 12858 1 18 . 1 1 87 87 GLY N N 87 103.400 103.400 106.320 -2.920 18989 12859 1 18 . 1 1 87 87 GLY C C 87 175.000 175.000 173.704 1.296 18989 12860 1 18 . 1 1 87 87 GLY CA C 87 45.600 45.600 44.841 0.759 18989 12861 1 18 . 1 1 88 88 ASN N N 88 122.300 122.300 120.771 1.529 18989 12862 1 18 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.520 -0.410 18989 12863 1 18 . 1 1 88 88 ASN C C 88 174.500 174.500 174.396 0.104 18989 12864 1 18 . 1 1 88 88 ASN CA C 88 55.600 55.600 56.368 -0.769 18989 12865 1 18 . 1 1 88 88 ASN CB C 88 38.200 38.200 39.647 -1.446 18989 12866 1 18 . 1 1 89 89 VAL N N 89 115.700 115.700 119.217 -3.517 18989 12867 1 18 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.180 0.650 18989 12868 1 18 . 1 1 89 89 VAL C C 89 174.700 174.700 173.837 0.863 18989 12869 1 18 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.979 -2.379 18989 12870 1 18 . 1 1 89 89 VAL CB C 89 37.000 37.000 32.428 4.572 18989 12871 1 18 . 1 1 90 90 LYS N N 90 123.600 123.600 125.997 -2.397 18989 12872 1 18 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.450 0.560 18989 12873 1 18 . 1 1 90 90 LYS C C 90 174.100 174.100 174.600 -0.500 18989 12874 1 18 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.044 -0.144 18989 12875 1 18 . 1 1 90 90 LYS CB C 90 36.300 36.300 35.183 1.117 18989 12876 1 18 . 1 1 91 91 TRP N N 91 124.600 124.600 126.116 -1.516 18989 12877 1 18 . 1 1 91 91 TRP HA H 91 5.100 5.100 5.012 0.088 18989 12878 1 18 . 1 1 91 91 TRP C C 91 174.600 174.600 174.706 -0.106 18989 12879 1 18 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.604 -0.704 18989 12880 1 18 . 1 1 91 91 TRP CB C 91 30.800 30.800 32.012 -1.212 18989 12881 1 18 . 1 1 92 92 ILE N N 92 118.000 118.000 122.086 -4.086 18989 12882 1 18 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.753 -0.193 18989 12883 1 18 . 1 1 92 92 ILE C C 92 176.300 176.300 174.843 1.457 18989 12884 1 18 . 1 1 92 92 ILE CA C 92 60.800 60.800 60.440 0.360 18989 12885 1 18 . 1 1 92 92 ILE CB C 92 42.100 42.100 40.669 1.431 18989 12886 1 18 . 1 1 93 93 TYR N N 93 127.700 127.700 128.118 -0.418 18989 12887 1 18 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.111 0.739 18989 12888 1 18 . 1 1 93 93 TYR C C 93 175.300 175.300 175.523 -0.223 18989 12889 1 18 . 1 1 93 93 TYR CA C 93 57.100 57.100 57.488 -0.388 18989 12890 1 18 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.555 2.245 18989 12891 1 18 . 1 1 94 94 SER N N 94 117.900 117.900 119.834 -1.934 18989 12892 1 18 . 1 1 94 94 SER HA H 94 5.510 5.510 5.212 0.298 18989 12893 1 18 . 1 1 94 94 SER C C 94 172.700 172.700 173.508 -0.808 18989 12894 1 18 . 1 1 94 94 SER CA C 94 57.300 57.300 57.296 0.004 18989 12895 1 18 . 1 1 94 94 SER CB C 94 65.600 65.600 64.146 1.454 18989 12896 1 18 . 1 1 95 95 MET N N 95 119.600 119.600 125.667 -6.067 18989 12897 1 18 . 1 1 95 95 MET HA H 95 5.840 5.840 5.533 0.307 18989 12898 1 18 . 1 1 95 95 MET C C 95 173.800 173.800 174.795 -0.995 18989 12899 1 18 . 1 1 95 95 MET CA C 95 54.200 54.200 54.279 -0.079 18989 12900 1 18 . 1 1 95 95 MET CB C 95 37.400 37.400 36.410 0.990 18989 12901 1 18 . 1 1 96 96 GLU N N 96 119.100 119.100 123.211 -4.111 18989 12902 1 18 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.902 0.068 18989 12903 1 18 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.185 -0.285 18989 12904 1 18 . 1 1 96 96 GLU CB C 96 33.000 33.000 31.575 1.425 18989 12905 1 18 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.405 0.415 18989 12906 1 18 . 1 1 97 97 PRO C C 97 176.300 176.300 175.990 0.310 18989 12907 1 18 . 1 1 97 97 PRO CA C 97 63.100 63.100 63.162 -0.062 18989 12908 1 18 . 1 1 97 97 PRO CB C 97 32.700 32.700 32.060 0.640 18989 12909 1 18 . 1 1 98 98 LEU N N 98 122.900 122.900 123.225 -0.325 18989 12910 1 18 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.575 -0.045 18989 12911 1 18 . 1 1 98 98 LEU C C 98 176.200 176.200 178.126 -1.926 18989 12912 1 18 . 1 1 98 98 LEU CA C 98 54.200 54.200 54.114 0.086 18989 12913 1 18 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.811 1.289 18989 12914 1 18 . 1 1 99 99 GLU N N 99 124.700 124.700 119.332 5.368 18989 12915 1 18 . 1 1 99 99 GLU HA H 99 3.860 3.860 3.708 0.152 18989 12916 1 18 . 1 1 99 99 GLU C C 99 176.900 176.900 177.404 -0.504 18989 12917 1 18 . 1 1 99 99 GLU CA C 99 59.500 59.500 59.582 -0.082 18989 12918 1 18 . 1 1 99 99 GLU CB C 99 28.000 28.000 28.038 -0.038 18989 12919 1 18 . 1 1 100 100 GLU N N 100 118.200 118.200 119.763 -1.563 18989 12920 1 18 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.105 0.325 18989 12921 1 18 . 1 1 100 100 GLU C C 100 176.200 176.200 176.628 -0.428 18989 12922 1 18 . 1 1 100 100 GLU CA C 100 56.400 56.400 58.252 -1.851 18989 12923 1 18 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.122 -0.222 18989 12924 1 18 . 1 1 101 101 GLY N N 101 110.100 110.100 104.244 5.856 18989 12925 1 18 . 1 1 101 101 GLY C C 101 174.100 174.100 172.617 1.483 18989 12926 1 18 . 1 1 101 101 GLY CA C 101 45.000 45.000 44.145 0.855 18989 12927 1 18 . 1 1 102 102 THR N N 102 120.200 120.200 115.436 4.764 18989 12928 1 18 . 1 1 102 102 THR HA H 102 4.850 4.850 5.057 -0.207 18989 12929 1 18 . 1 1 102 102 THR C C 102 172.700 172.700 174.132 -1.432 18989 12930 1 18 . 1 1 102 102 THR CA C 102 63.700 63.700 62.275 1.425 18989 12931 1 18 . 1 1 102 102 THR CB C 102 73.600 73.600 72.534 1.066 18989 12932 1 18 . 1 1 103 103 VAL N N 103 125.600 125.600 127.898 -2.298 18989 12933 1 18 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.551 0.359 18989 12934 1 18 . 1 1 103 103 VAL C C 103 175.000 175.000 175.038 -0.038 18989 12935 1 18 . 1 1 103 103 VAL CA C 103 61.300 61.300 62.058 -0.758 18989 12936 1 18 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.637 1.063 18989 12937 1 18 . 1 1 104 104 LEU N N 104 133.900 133.900 130.986 2.914 18989 12938 1 18 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.739 0.401 18989 12939 1 18 . 1 1 104 104 LEU C C 104 173.800 173.800 175.292 -1.492 18989 12940 1 18 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.163 -0.863 18989 12941 1 18 . 1 1 104 104 LEU CB C 104 46.100 46.100 43.263 2.837 18989 12942 1 18 . 1 1 105 105 THR N N 105 124.400 124.400 123.559 0.841 18989 12943 1 18 . 1 1 105 105 THR HA H 105 5.210 5.210 4.977 0.233 18989 12944 1 18 . 1 1 105 105 THR C C 105 173.500 173.500 172.846 0.654 18989 12945 1 18 . 1 1 105 105 THR CA C 105 61.500 61.500 61.859 -0.359 18989 12946 1 18 . 1 1 105 105 THR CB C 105 71.100 71.100 70.452 0.648 18989 12947 1 18 . 1 1 106 106 GLU N N 106 126.900 126.900 128.692 -1.792 18989 12948 1 18 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.794 0.566 18989 12949 1 18 . 1 1 106 106 GLU C C 106 173.400 173.400 174.685 -1.285 18989 12950 1 18 . 1 1 106 106 GLU CA C 106 54.400 54.400 55.180 -0.780 18989 12951 1 18 . 1 1 106 106 GLU CB C 106 32.000 32.000 31.680 0.320 18989 12952 1 18 . 1 1 107 107 SER N N 107 120.800 120.800 122.875 -2.075 18989 12953 1 18 . 1 1 107 107 SER HA H 107 5.470 5.470 4.766 0.704 18989 12954 1 18 . 1 1 107 107 SER C C 107 171.600 171.600 172.989 -1.389 18989 12955 1 18 . 1 1 107 107 SER CA C 107 56.000 56.000 57.139 -1.139 18989 12956 1 18 . 1 1 107 107 SER CB C 107 66.700 66.700 64.436 2.264 18989 12957 1 18 . 1 1 108 108 TRP N N 108 124.600 124.600 130.331 -5.731 18989 12958 1 18 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.959 -0.279 18989 12959 1 18 . 1 1 108 108 TRP C C 108 175.000 175.000 174.359 0.641 18989 12960 1 18 . 1 1 108 108 TRP CA C 108 55.900 55.900 55.281 0.620 18989 12961 1 18 . 1 1 108 108 TRP CB C 108 33.600 33.600 32.165 1.435 18989 12962 1 18 . 1 1 109 109 GLU N N 109 127.200 127.200 128.582 -1.382 18989 12963 1 18 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.076 0.424 18989 12964 1 18 . 1 1 109 109 GLU C C 109 172.300 172.300 174.059 -1.759 18989 12965 1 18 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.983 -0.883 18989 12966 1 18 . 1 1 109 109 GLU CB C 109 32.900 32.900 32.695 0.205 18989 12967 1 18 . 1 1 110 110 PHE N N 110 129.400 129.400 129.814 -0.414 18989 12968 1 18 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.637 0.053 18989 12969 1 18 . 1 1 110 110 PHE C C 110 177.100 177.100 174.955 2.145 18989 12970 1 18 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.828 -2.828 18989 12971 1 18 . 1 1 110 110 PHE CB C 110 38.500 38.500 39.608 -1.108 18989 12972 1 18 . 1 1 111 111 THR N N 111 117.800 117.800 119.959 -2.159 18989 12973 1 18 . 1 1 111 111 THR HA H 111 4.510 4.510 4.237 0.273 18989 12974 1 18 . 1 1 111 111 THR CA C 111 61.800 61.800 60.220 1.580 18989 12975 1 18 . 1 1 111 111 THR CB C 111 66.100 66.100 68.806 -2.706 18989 12976 1 18 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.006 -0.016 18989 12977 1 18 . 1 1 113 113 LYS C C 113 179.200 179.200 178.507 0.693 18989 12978 1 18 . 1 1 114 114 GLY N N 114 110.100 110.100 106.194 3.906 18989 12979 1 18 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.416 0.684 18989 12980 1 18 . 1 1 115 115 GLN N N 115 121.100 121.100 121.645 -0.545 18989 12981 1 18 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.491 -0.481 18989 12982 1 18 . 1 1 115 115 GLN C C 115 178.000 178.000 178.071 -0.071 18989 12983 1 18 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.981 0.919 18989 12984 1 18 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.748 0.652 18989 12985 1 18 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.142 -0.002 18989 12986 1 18 . 1 1 116 116 ARG C C 116 177.900 177.900 178.376 -0.476 18989 12987 1 18 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.428 0.071 18989 12988 1 18 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.931 0.069 18989 12989 1 18 . 1 1 117 117 PHE N N 117 120.800 120.800 120.524 0.276 18989 12990 1 18 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.066 0.404 18989 12991 1 18 . 1 1 117 117 PHE C C 117 178.100 178.100 177.350 0.750 18989 12992 1 18 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.771 -0.571 18989 12993 1 18 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.745 0.255 18989 12994 1 18 . 1 1 118 118 PHE N N 118 119.600 119.600 116.470 3.130 18989 12995 1 18 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.217 0.013 18989 12996 1 18 . 1 1 118 118 PHE C C 118 178.500 178.500 178.076 0.424 18989 12997 1 18 . 1 1 118 118 PHE CA C 118 62.300 62.300 62.513 -0.213 18989 12998 1 18 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.609 0.591 18989 12999 1 18 . 1 1 119 119 HIS N N 119 120.900 120.900 119.009 1.891 18989 13000 1 18 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.427 0.193 18989 13001 1 18 . 1 1 119 119 HIS C C 119 178.500 178.500 177.122 1.378 18989 13002 1 18 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.708 0.192 18989 13003 1 18 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.368 -0.668 18989 13004 1 18 . 1 1 120 120 ASP N N 120 120.400 120.400 118.668 1.732 18989 13005 1 18 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.448 -0.118 18989 13006 1 18 . 1 1 120 120 ASP C C 120 177.500 177.500 177.627 -0.127 18989 13007 1 18 . 1 1 120 120 ASP CA C 120 57.200 57.200 55.709 1.491 18989 13008 1 18 . 1 1 120 120 ASP CB C 120 40.500 40.500 41.370 -0.870 18989 13009 1 18 . 1 1 121 121 LYS N N 121 118.100 118.100 118.707 -0.607 18989 13010 1 18 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.777 0.033 18989 13011 1 18 . 1 1 121 121 LYS C C 121 178.200 178.200 177.631 0.569 18989 13012 1 18 . 1 1 121 121 LYS CA C 121 58.100 58.100 58.765 -0.665 18989 13013 1 18 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.413 0.787 18989 13014 1 18 . 1 1 122 122 PHE N N 122 112.800 112.800 115.929 -3.129 18989 13015 1 18 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.549 0.131 18989 13016 1 18 . 1 1 122 122 PHE C C 122 177.600 177.600 177.765 -0.165 18989 13017 1 18 . 1 1 122 122 PHE CA C 122 58.100 58.100 58.825 -0.725 18989 13018 1 18 . 1 1 122 122 PHE CB C 122 40.000 40.000 40.722 -0.722 18989 13019 1 18 . 1 1 123 123 GLY N N 123 112.200 112.200 107.153 5.047 18989 13020 1 18 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.591 0.709 18989 13021 1 18 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.450 0.130 18989 13022 1 18 . 1 1 124 124 ASP C C 124 177.700 177.700 177.983 -0.283 18989 13023 1 18 . 1 1 124 124 ASP CA C 124 56.800 56.800 57.288 -0.488 18989 13024 1 18 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.619 -0.519 18989 13025 1 18 . 1 1 125 125 LYS N N 125 118.400 118.400 117.696 0.704 18989 13026 1 18 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.349 0.321 18989 13027 1 18 . 1 1 125 125 LYS C C 125 177.100 177.100 178.202 -1.102 18989 13028 1 18 . 1 1 125 125 LYS CA C 125 56.000 56.000 58.187 -2.187 18989 13029 1 18 . 1 1 125 125 LYS CB C 125 32.300 32.300 31.467 0.833 18989 13030 1 18 . 1 1 126 126 SER N N 126 116.600 116.600 115.750 0.850 18989 13031 1 18 . 1 1 126 126 SER HA H 126 3.830 3.830 4.406 -0.576 18989 13032 1 18 . 1 1 126 126 SER C C 126 175.700 175.700 176.108 -0.408 18989 13033 1 18 . 1 1 126 126 SER CA C 126 62.700 62.700 61.260 1.440 18989 13034 1 18 . 1 1 126 126 SER CB C 126 63.000 63.000 62.766 0.234 18989 13035 1 18 . 1 1 127 127 ILE N N 127 122.300 122.300 120.332 1.968 18989 13036 1 18 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.912 -0.102 18989 13037 1 18 . 1 1 127 127 ILE C C 127 178.500 178.500 177.918 0.582 18989 13038 1 18 . 1 1 127 127 ILE CA C 127 65.000 65.000 63.246 1.754 18989 13039 1 18 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.351 -0.551 18989 13040 1 18 . 1 1 128 128 GLU N N 128 120.500 120.500 119.582 0.918 18989 13041 1 18 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.963 0.137 18989 13042 1 18 . 1 1 128 128 GLU C C 128 179.400 179.400 178.582 0.818 18989 13043 1 18 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.121 0.179 18989 13044 1 18 . 1 1 128 128 GLU CB C 128 29.700 29.700 28.960 0.740 18989 13045 1 18 . 1 1 129 129 GLU N N 129 118.800 118.800 120.517 -1.717 18989 13046 1 18 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.921 -0.011 18989 13047 1 18 . 1 1 129 129 GLU C C 129 179.900 179.900 178.601 1.299 18989 13048 1 18 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.527 0.473 18989 13049 1 18 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.059 0.141 18989 13050 1 18 . 1 1 130 130 ILE N N 130 122.700 122.700 119.407 3.293 18989 13051 1 18 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.663 -0.183 18989 13052 1 18 . 1 1 130 130 ILE C C 130 177.600 177.600 177.379 0.221 18989 13053 1 18 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.451 1.949 18989 13054 1 18 . 1 1 130 130 ILE CB C 130 38.300 38.300 38.078 0.222 18989 13055 1 18 . 1 1 131 131 GLU N N 131 120.100 120.100 119.790 0.310 18989 13056 1 18 . 1 1 131 131 GLU HA H 131 4.390 4.390 4.026 0.364 18989 13057 1 18 . 1 1 131 131 GLU C C 131 178.800 178.800 178.635 0.165 18989 13058 1 18 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.032 -0.432 18989 13059 1 18 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.136 -0.236 18989 13060 1 18 . 1 1 132 132 LYS N N 132 118.300 118.300 119.566 -1.266 18989 13061 1 18 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.893 0.067 18989 13062 1 18 . 1 1 132 132 LYS C C 132 180.400 180.400 179.379 1.021 18989 13063 1 18 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.720 0.580 18989 13064 1 18 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.306 0.394 18989 13065 1 18 . 1 1 133 133 ARG N N 133 118.400 118.400 117.360 1.040 18989 13066 1 18 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.948 0.112 18989 13067 1 18 . 1 1 133 133 ARG C C 133 178.600 178.600 178.715 -0.115 18989 13068 1 18 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.710 -0.710 18989 13069 1 18 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.908 -0.508 18989 13070 1 18 . 1 1 134 134 ARG N N 134 122.500 122.500 121.143 1.357 18989 13071 1 18 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.021 -0.411 18989 13072 1 18 . 1 1 134 134 ARG C C 134 177.600 177.600 178.113 -0.513 18989 13073 1 18 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.789 -0.390 18989 13074 1 18 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.141 0.859 18989 13075 1 18 . 1 1 135 135 LEU N N 135 118.200 118.200 118.862 -0.662 18989 13076 1 18 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.986 -0.176 18989 13077 1 18 . 1 1 135 135 LEU C C 135 179.700 179.700 178.837 0.863 18989 13078 1 18 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.498 0.202 18989 13079 1 18 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.666 -0.266 18989 13080 1 18 . 1 1 136 136 ALA N N 136 120.400 120.400 120.648 -0.248 18989 13081 1 18 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.903 0.127 18989 13082 1 18 . 1 1 136 136 ALA C C 136 180.500 180.500 179.303 1.197 18989 13083 1 18 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.839 -0.139 18989 13084 1 18 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.847 0.253 18989 13085 1 18 . 1 1 137 137 ALA N N 137 123.200 123.200 121.825 1.375 18989 13086 1 18 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.804 0.096 18989 13087 1 18 . 1 1 137 137 ALA C C 137 178.700 178.700 179.128 -0.428 18989 13088 1 18 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.272 1.028 18989 13089 1 18 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.788 -1.988 18989 13090 1 18 . 1 1 138 138 ILE N N 138 115.400 115.400 117.368 -1.968 18989 13091 1 18 . 1 1 138 138 ILE HA H 138 2.830 2.830 2.664 0.166 18989 13092 1 18 . 1 1 138 138 ILE C C 138 177.800 177.800 177.693 0.107 18989 13093 1 18 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.073 0.127 18989 13094 1 18 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.432 -0.032 18989 13095 1 18 . 1 1 139 139 THR N N 139 109.500 109.500 114.776 -5.276 18989 13096 1 18 . 1 1 139 139 THR HA H 139 4.150 4.150 4.245 -0.095 18989 13097 1 18 . 1 1 139 139 THR C C 139 177.300 177.300 176.589 0.711 18989 13098 1 18 . 1 1 139 139 THR CA C 139 64.000 64.000 66.203 -2.203 18989 13099 1 18 . 1 1 139 139 THR CB C 139 69.600 69.600 69.071 0.529 18989 13100 1 18 . 1 1 140 140 GLY N N 140 110.800 110.800 110.049 0.751 18989 13101 1 18 . 1 1 140 140 GLY C C 140 176.700 176.700 175.698 1.002 18989 13102 1 18 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.519 0.281 18989 13103 1 18 . 1 1 141 141 ILE N N 141 122.700 122.700 123.058 -0.358 18989 13104 1 18 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.439 -0.279 18989 13105 1 18 . 1 1 141 141 ILE CA C 141 68.300 68.300 66.086 2.214 18989 13106 1 18 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.436 -0.136 18989 13107 1 18 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.607 -0.257 18989 13108 1 18 . 1 1 142 142 PRO C C 142 179.300 179.300 179.190 0.110 18989 13109 1 18 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.606 1.094 18989 13110 1 18 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.204 -0.004 18989 13111 1 18 . 1 1 143 143 GLU N N 143 113.900 113.900 119.097 -5.197 18989 13112 1 18 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.105 0.065 18989 13113 1 18 . 1 1 143 143 GLU C C 143 179.600 179.600 178.815 0.785 18989 13114 1 18 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.361 -0.062 18989 13115 1 18 . 1 1 143 143 GLU CB C 143 30.000 30.000 28.884 1.116 18989 13116 1 18 . 1 1 144 144 THR N N 144 119.900 119.900 117.788 2.112 18989 13117 1 18 . 1 1 144 144 THR HA H 144 4.290 4.290 4.115 0.175 18989 13118 1 18 . 1 1 144 144 THR C C 144 175.800 175.800 176.855 -1.055 18989 13119 1 18 . 1 1 144 144 THR CA C 144 67.000 67.000 67.002 -0.003 18989 13120 1 18 . 1 1 144 144 THR CB C 144 69.500 69.500 68.585 0.915 18989 13121 1 18 . 1 1 145 145 LEU N N 145 120.300 120.300 121.133 -0.833 18989 13122 1 18 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.118 -0.208 18989 13123 1 18 . 1 1 145 145 LEU C C 145 178.700 178.700 178.791 -0.091 18989 13124 1 18 . 1 1 145 145 LEU CA C 145 58.600 58.600 57.963 0.637 18989 13125 1 18 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.521 -0.021 18989 13126 1 18 . 1 1 146 146 VAL N N 146 117.600 117.600 119.290 -1.690 18989 13127 1 18 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.798 -0.118 18989 13128 1 18 . 1 1 146 146 VAL C C 146 177.700 177.700 178.186 -0.486 18989 13129 1 18 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.291 -0.191 18989 13130 1 18 . 1 1 146 146 VAL CB C 146 32.000 32.000 31.074 0.926 18989 13131 1 18 . 1 1 147 147 ALA N N 147 123.600 123.600 123.232 0.368 18989 13132 1 18 . 1 1 147 147 ALA HA H 147 4.230 4.230 3.984 0.246 18989 13133 1 18 . 1 1 147 147 ALA C C 147 180.400 180.400 179.760 0.640 18989 13134 1 18 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.439 0.161 18989 13135 1 18 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.222 0.578 18989 13136 1 18 . 1 1 148 148 ILE N N 148 119.600 119.600 119.095 0.505 18989 13137 1 18 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.574 -0.264 18989 13138 1 18 . 1 1 148 148 ILE C C 148 177.100 177.100 177.867 -0.767 18989 13139 1 18 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.436 0.864 18989 13140 1 18 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.788 0.412 18989 13141 1 18 . 1 1 149 149 GLN N N 149 119.200 119.200 119.685 -0.485 18989 13142 1 18 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.847 -0.177 18989 13143 1 18 . 1 1 149 149 GLN C C 149 178.000 178.000 178.107 -0.107 18989 13144 1 18 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.506 0.594 18989 13145 1 18 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.719 0.881 18989 13146 1 18 . 1 1 150 150 ARG N N 150 120.500 120.500 119.163 1.337 18989 13147 1 18 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.100 -0.050 18989 13148 1 18 . 1 1 150 150 ARG C C 150 179.000 179.000 178.827 0.173 18989 13149 1 18 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.101 0.199 18989 13150 1 18 . 1 1 150 150 ARG CB C 150 30.000 30.000 30.113 -0.113 18989 13151 1 18 . 1 1 151 151 ILE N N 151 119.100 119.100 120.647 -1.547 18989 13152 1 18 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.746 -0.096 18989 13153 1 18 . 1 1 151 151 ILE C C 151 178.500 178.500 177.495 1.005 18989 13154 1 18 . 1 1 151 151 ILE CA C 151 65.300 65.300 63.774 1.526 18989 13155 1 18 . 1 1 151 151 ILE CB C 151 39.000 39.000 37.873 1.127 18989 13156 1 18 . 1 1 152 152 LEU N N 152 117.100 117.100 119.532 -2.432 18989 13157 1 18 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.944 0.136 18989 13158 1 18 . 1 1 152 152 LEU C C 152 178.700 178.700 179.067 -0.367 18989 13159 1 18 . 1 1 152 152 LEU CA C 152 57.000 57.000 58.151 -1.151 18989 13160 1 18 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.725 1.175 18989 13161 1 18 . 1 1 153 153 GLU N N 153 117.800 117.800 118.228 -0.428 18989 13162 1 18 . 1 1 153 153 GLU HA H 153 4.170 4.170 4.097 0.073 18989 13163 1 18 . 1 1 153 153 GLU C C 153 178.300 178.300 178.397 -0.097 18989 13164 1 18 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.077 -0.377 18989 13165 1 18 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.716 -0.416 18989 13166 1 18 . 1 1 154 154 VAL N N 154 119.500 119.500 117.761 1.739 18989 13167 1 18 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.980 0.020 18989 13168 1 18 . 1 1 154 154 VAL C C 154 177.500 177.500 178.533 -1.033 18989 13169 1 18 . 1 1 154 154 VAL CA C 154 64.700 64.700 65.475 -0.775 18989 13170 1 18 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.817 0.383 18989 13171 1 18 . 1 1 155 155 GLU N N 155 121.300 121.300 121.074 0.226 18989 13172 1 18 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.487 -0.307 18989 13173 1 18 . 1 1 155 155 GLU C C 155 177.600 177.600 178.818 -1.218 18989 13174 1 18 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.460 -0.460 18989 13175 1 18 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.343 0.357 18989 13176 1 18 . 1 1 156 156 LEU N N 156 120.800 120.800 116.828 3.972 18989 13177 1 18 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.126 0.104 18989 13178 1 18 . 1 1 156 156 LEU C C 156 178.000 178.000 177.238 0.762 18989 13179 1 18 . 1 1 156 156 LEU CA C 156 56.200 56.200 56.139 0.061 18989 13180 1 18 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.099 0.201 18989 13181 1 18 . 1 1 157 157 GLU N N 157 119.700 119.700 115.994 3.706 18989 13182 1 18 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.434 -0.304 18989 13183 1 18 . 1 1 157 157 GLU C C 157 177.000 177.000 175.380 1.620 18989 13184 1 18 . 1 1 157 157 GLU CA C 157 57.400 57.400 54.499 2.901 18989 13185 1 18 . 1 1 157 157 GLU CB C 157 29.800 29.800 31.671 -1.871 18989 13186 1 18 . 1 1 158 158 HIS N N 158 117.700 117.700 116.437 1.263 18989 13187 1 18 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.035 0.595 18989 13188 1 18 . 1 1 158 158 HIS C C 158 173.900 173.900 174.751 -0.851 18989 13189 1 18 . 1 1 158 158 HIS CA C 158 56.000 56.000 57.052 -1.052 18989 13190 1 18 . 1 1 158 158 HIS CB C 158 30.000 30.000 28.899 1.101 18989 13191 1 18 . 1 1 159 159 HIS N N 159 125.200 125.200 112.473 12.727 18989 13192 1 18 . 1 1 159 159 HIS HA H 159 4.440 4.440 3.920 0.520 18989 13193 1 18 . 1 1 159 159 HIS CA C 159 57.300 57.300 59.142 -1.842 18989 13194 1 18 . 1 1 159 159 HIS CB C 159 28.800 28.800 28.613 0.187 18989 13195 1 19 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.539 -0.139 18989 13196 1 19 . 1 1 2 2 PRO CA C 2 62.400 62.400 62.560 -0.160 18989 13197 1 19 . 1 1 2 2 PRO CB C 2 32.800 32.800 32.140 0.660 18989 13198 1 19 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.279 0.201 18989 13199 1 19 . 1 1 3 3 LYS C C 3 176.600 176.600 176.816 -0.216 18989 13200 1 19 . 1 1 3 3 LYS CA C 3 55.900 55.900 56.281 -0.381 18989 13201 1 19 . 1 1 3 3 LYS CB C 3 34.200 34.200 32.428 1.772 18989 13202 1 19 . 1 1 4 4 SER N N 4 117.800 117.800 118.778 -0.978 18989 13203 1 19 . 1 1 4 4 SER HA H 4 4.220 4.220 4.460 -0.240 18989 13204 1 19 . 1 1 4 4 SER C C 4 174.100 174.100 175.227 -1.127 18989 13205 1 19 . 1 1 4 4 SER CA C 4 59.700 59.700 57.600 2.100 18989 13206 1 19 . 1 1 4 4 SER CB C 4 63.700 63.700 64.151 -0.451 18989 13207 1 19 . 1 1 5 5 LEU N N 5 124.700 124.700 125.400 -0.700 18989 13208 1 19 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.323 0.477 18989 13209 1 19 . 1 1 5 5 LEU C C 5 175.500 175.500 175.127 0.373 18989 13210 1 19 . 1 1 5 5 LEU CA C 5 54.000 54.000 53.819 0.180 18989 13211 1 19 . 1 1 5 5 LEU CB C 5 43.200 43.200 39.364 3.836 18989 13212 1 19 . 1 1 6 6 THR N N 6 111.200 111.200 113.264 -2.064 18989 13213 1 19 . 1 1 6 6 THR HA H 6 5.620 5.620 4.727 0.893 18989 13214 1 19 . 1 1 6 6 THR C C 6 174.500 174.500 173.651 0.849 18989 13215 1 19 . 1 1 6 6 THR CA C 6 59.700 59.700 59.637 0.063 18989 13216 1 19 . 1 1 6 6 THR CB C 6 73.000 73.000 71.037 1.962 18989 13217 1 19 . 1 1 7 7 PHE N N 7 120.700 120.700 125.704 -5.004 18989 13218 1 19 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.848 -0.098 18989 13219 1 19 . 1 1 7 7 PHE C C 7 172.100 172.100 172.993 -0.893 18989 13220 1 19 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.528 1.772 18989 13221 1 19 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.218 0.282 18989 13222 1 19 . 1 1 8 8 GLU N N 8 122.100 122.100 121.700 0.400 18989 13223 1 19 . 1 1 8 8 GLU HA H 8 5.380 5.380 5.176 0.204 18989 13224 1 19 . 1 1 8 8 GLU C C 8 172.500 172.500 174.065 -1.565 18989 13225 1 19 . 1 1 8 8 GLU CA C 8 54.500 54.500 53.842 0.658 18989 13226 1 19 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.415 0.085 18989 13227 1 19 . 1 1 9 9 ASP N N 9 117.400 117.400 120.924 -3.524 18989 13228 1 19 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.781 0.039 18989 13229 1 19 . 1 1 9 9 ASP C C 9 173.500 173.500 173.978 -0.478 18989 13230 1 19 . 1 1 9 9 ASP CA C 9 53.100 53.100 52.546 0.554 18989 13231 1 19 . 1 1 9 9 ASP CB C 9 45.100 45.100 43.880 1.220 18989 13232 1 19 . 1 1 10 10 SER N N 10 113.600 113.600 116.564 -2.964 18989 13233 1 19 . 1 1 10 10 SER HA H 10 5.990 5.990 5.736 0.254 18989 13234 1 19 . 1 1 10 10 SER C C 10 172.600 172.600 173.192 -0.592 18989 13235 1 19 . 1 1 10 10 SER CA C 10 57.300 57.300 56.866 0.434 18989 13236 1 19 . 1 1 10 10 SER CB C 10 68.100 68.100 66.255 1.845 18989 13237 1 19 . 1 1 11 11 ILE N N 11 122.700 122.700 122.242 0.458 18989 13238 1 19 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.412 0.108 18989 13239 1 19 . 1 1 11 11 ILE C C 11 171.300 171.300 173.571 -2.271 18989 13240 1 19 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.540 0.460 18989 13241 1 19 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.151 1.249 18989 13242 1 19 . 1 1 12 12 ASN N N 12 124.600 124.600 125.908 -1.308 18989 13243 1 19 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.947 0.333 18989 13244 1 19 . 1 1 12 12 ASN C C 12 174.700 174.700 174.954 -0.254 18989 13245 1 19 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.437 -0.137 18989 13246 1 19 . 1 1 12 12 ASN CB C 12 38.600 38.600 37.899 0.701 18989 13247 1 19 . 1 1 13 13 ILE N N 13 122.900 122.900 124.769 -1.869 18989 13248 1 19 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.184 0.266 18989 13249 1 19 . 1 1 13 13 ILE C C 13 175.300 175.300 175.586 -0.286 18989 13250 1 19 . 1 1 13 13 ILE CA C 13 60.300 60.300 61.145 -0.845 18989 13251 1 19 . 1 1 13 13 ILE CB C 13 41.600 41.600 39.085 2.515 18989 13252 1 19 . 1 1 14 14 ALA N N 14 136.600 136.600 130.830 5.770 18989 13253 1 19 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.537 0.163 18989 13254 1 19 . 1 1 14 14 ALA C C 14 175.100 175.100 176.273 -1.173 18989 13255 1 19 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.115 -0.115 18989 13256 1 19 . 1 1 14 14 ALA CB C 14 16.300 16.300 17.544 -1.244 18989 13257 1 19 . 1 1 15 15 ALA N N 15 122.100 122.100 122.402 -0.302 18989 13258 1 19 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.725 0.035 18989 13259 1 19 . 1 1 15 15 ALA CA C 15 50.000 50.000 50.501 -0.501 18989 13260 1 19 . 1 1 15 15 ALA CB C 15 21.100 21.100 20.789 0.311 18989 13261 1 19 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.599 0.011 18989 13262 1 19 . 1 1 16 16 PRO C C 16 179.200 179.200 177.599 1.601 18989 13263 1 19 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.549 -0.449 18989 13264 1 19 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.962 0.137 18989 13265 1 19 . 1 1 17 17 ILE N N 17 124.400 124.400 121.411 2.989 18989 13266 1 19 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.749 0.241 18989 13267 1 19 . 1 1 17 17 ILE C C 17 175.800 175.800 176.790 -0.990 18989 13268 1 19 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.583 1.117 18989 13269 1 19 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.228 0.471 18989 13270 1 19 . 1 1 18 18 ASN N N 18 117.200 117.200 117.824 -0.624 18989 13271 1 19 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.339 0.351 18989 13272 1 19 . 1 1 18 18 ASN C C 18 178.700 178.700 177.863 0.837 18989 13273 1 19 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.437 -0.637 18989 13274 1 19 . 1 1 18 18 ASN CB C 18 37.100 37.100 37.730 -0.630 18989 13275 1 19 . 1 1 19 19 GLN N N 19 120.300 120.300 119.253 1.047 18989 13276 1 19 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.096 0.024 18989 13277 1 19 . 1 1 19 19 GLN C C 19 178.500 178.500 178.502 -0.002 18989 13278 1 19 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.587 -0.287 18989 13279 1 19 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.979 -0.679 18989 13280 1 19 . 1 1 20 20 VAL N N 20 120.300 120.300 120.147 0.153 18989 13281 1 19 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.665 -0.215 18989 13282 1 19 . 1 1 20 20 VAL C C 20 177.500 177.500 177.906 -0.406 18989 13283 1 19 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.333 -0.133 18989 13284 1 19 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.223 -0.323 18989 13285 1 19 . 1 1 21 21 TYR N N 21 118.800 118.800 120.759 -1.959 18989 13286 1 19 . 1 1 21 21 TYR HA H 21 3.580 3.580 3.962 -0.382 18989 13287 1 19 . 1 1 21 21 TYR C C 21 177.800 177.800 177.001 0.799 18989 13288 1 19 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.975 0.925 18989 13289 1 19 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.193 0.207 18989 13290 1 19 . 1 1 22 22 ALA N N 22 120.400 120.400 121.744 -1.344 18989 13291 1 19 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.965 -0.204 18989 13292 1 19 . 1 1 22 22 ALA C C 22 178.000 178.000 179.130 -1.130 18989 13293 1 19 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.725 -0.025 18989 13294 1 19 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.370 0.130 18989 13295 1 19 . 1 1 23 23 LEU N N 23 116.400 116.400 117.370 -0.970 18989 13296 1 19 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.037 0.193 18989 13297 1 19 . 1 1 23 23 LEU C C 23 177.200 177.200 178.759 -1.559 18989 13298 1 19 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.357 0.643 18989 13299 1 19 . 1 1 23 23 LEU CB C 23 42.400 42.400 42.004 0.396 18989 13300 1 19 . 1 1 24 24 VAL N N 24 128.600 128.600 118.414 10.186 18989 13301 1 19 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.543 -0.183 18989 13302 1 19 . 1 1 24 24 VAL C C 24 175.200 175.200 177.069 -1.869 18989 13303 1 19 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.831 -0.531 18989 13304 1 19 . 1 1 24 24 VAL CB C 24 30.800 30.800 31.419 -0.619 18989 13305 1 19 . 1 1 25 25 SER N N 25 108.500 108.500 114.111 -5.611 18989 13306 1 19 . 1 1 25 25 SER HA H 25 2.520 2.520 3.671 -1.151 18989 13307 1 19 . 1 1 25 25 SER CA C 25 58.200 58.200 60.442 -2.242 18989 13308 1 19 . 1 1 25 25 SER CB C 25 63.600 63.600 63.001 0.599 18989 13309 1 19 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.122 0.788 18989 13310 1 19 . 1 1 26 26 ASP C C 26 175.500 175.500 175.981 -0.481 18989 13311 1 19 . 1 1 26 26 ASP CA C 26 51.200 51.200 56.797 -5.597 18989 13312 1 19 . 1 1 26 26 ASP CB C 26 38.100 38.100 40.317 -2.217 18989 13313 1 19 . 1 1 27 27 ILE N N 27 123.500 123.500 123.350 0.150 18989 13314 1 19 . 1 1 27 27 ILE HA H 27 3.390 3.390 3.830 -0.440 18989 13315 1 19 . 1 1 27 27 ILE C C 27 178.900 178.900 176.378 2.522 18989 13316 1 19 . 1 1 27 27 ILE CA C 27 61.700 61.700 62.737 -1.037 18989 13317 1 19 . 1 1 27 27 ILE CB C 27 36.600 36.600 36.704 -0.104 18989 13318 1 19 . 1 1 28 28 THR N N 28 112.500 112.500 117.904 -5.404 18989 13319 1 19 . 1 1 28 28 THR HA H 28 4.350 4.350 3.919 0.431 18989 13320 1 19 . 1 1 28 28 THR C C 28 176.500 176.500 174.665 1.835 18989 13321 1 19 . 1 1 28 28 THR CA C 28 64.000 64.000 63.879 0.121 18989 13322 1 19 . 1 1 28 28 THR CB C 28 68.600 68.600 67.285 1.315 18989 13323 1 19 . 1 1 29 29 ARG N N 29 121.100 121.100 122.018 -0.918 18989 13324 1 19 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.341 -0.061 18989 13325 1 19 . 1 1 29 29 ARG CA C 29 56.200 56.200 57.466 -1.266 18989 13326 1 19 . 1 1 29 29 ARG CB C 29 30.600 30.600 31.471 -0.871 18989 13327 1 19 . 1 1 30 30 THR HA H 30 5.870 5.870 4.577 1.293 18989 13328 1 19 . 1 1 30 30 THR C C 30 174.000 174.000 172.840 1.160 18989 13329 1 19 . 1 1 30 30 THR CA C 30 66.000 66.000 60.721 5.279 18989 13330 1 19 . 1 1 30 30 THR CB C 30 69.400 69.400 70.272 -0.872 18989 13331 1 19 . 1 1 31 31 GLY N N 31 106.200 106.200 108.558 -2.358 18989 13332 1 19 . 1 1 31 31 GLY C C 31 175.200 175.200 174.562 0.638 18989 13333 1 19 . 1 1 31 31 GLY CA C 31 46.200 46.200 45.429 0.771 18989 13334 1 19 . 1 1 32 32 GLU N N 32 118.400 118.400 120.153 -1.753 18989 13335 1 19 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.359 -0.389 18989 13336 1 19 . 1 1 32 32 GLU C C 32 177.500 177.500 177.291 0.209 18989 13337 1 19 . 1 1 32 32 GLU CA C 32 58.800 58.800 57.410 1.391 18989 13338 1 19 . 1 1 32 32 GLU CB C 32 29.800 29.800 30.373 -0.573 18989 13339 1 19 . 1 1 33 33 TRP N N 33 113.200 113.200 120.297 -7.097 18989 13340 1 19 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.615 0.325 18989 13341 1 19 . 1 1 33 33 TRP C C 33 175.300 175.300 177.197 -1.897 18989 13342 1 19 . 1 1 33 33 TRP CA C 33 56.400 56.400 58.552 -2.152 18989 13343 1 19 . 1 1 33 33 TRP CB C 33 30.600 30.600 30.011 0.589 18989 13344 1 19 . 1 1 34 34 SER N N 34 118.600 118.600 115.205 3.395 18989 13345 1 19 . 1 1 34 34 SER HA H 34 4.930 4.930 4.974 -0.044 18989 13346 1 19 . 1 1 34 34 SER CA C 34 54.700 54.700 55.699 -0.999 18989 13347 1 19 . 1 1 34 34 SER CB C 34 63.000 63.000 63.773 -0.773 18989 13348 1 19 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.580 -0.120 18989 13349 1 19 . 1 1 35 35 PRO C C 35 177.100 177.100 175.695 1.405 18989 13350 1 19 . 1 1 35 35 PRO CA C 35 64.500 64.500 62.821 1.679 18989 13351 1 19 . 1 1 35 35 PRO CB C 35 32.300 32.300 29.911 2.389 18989 13352 1 19 . 1 1 36 36 VAL N N 36 113.900 113.900 112.355 1.545 18989 13353 1 19 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.588 -0.488 18989 13354 1 19 . 1 1 36 36 VAL C C 36 174.200 174.200 175.530 -1.330 18989 13355 1 19 . 1 1 36 36 VAL CA C 36 62.900 62.900 61.323 1.577 18989 13356 1 19 . 1 1 36 36 VAL CB C 36 32.500 32.500 33.086 -0.586 18989 13357 1 19 . 1 1 37 37 CYS N N 37 121.000 121.000 121.307 -0.307 18989 13358 1 19 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.889 -0.429 18989 13359 1 19 . 1 1 37 37 CYS C C 37 173.600 173.600 174.639 -1.039 18989 13360 1 19 . 1 1 37 37 CYS CA C 37 58.500 58.500 57.609 0.891 18989 13361 1 19 . 1 1 37 37 CYS CB C 37 27.000 27.000 29.404 -2.404 18989 13362 1 19 . 1 1 38 38 GLU N N 38 129.300 129.300 128.811 0.489 18989 13363 1 19 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.187 -0.047 18989 13364 1 19 . 1 1 38 38 GLU C C 38 176.500 176.500 175.782 0.718 18989 13365 1 19 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.078 -0.178 18989 13366 1 19 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.570 1.230 18989 13367 1 19 . 1 1 39 39 LYS N N 39 117.100 117.100 116.658 0.442 18989 13368 1 19 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.422 0.048 18989 13369 1 19 . 1 1 39 39 LYS C C 39 173.600 173.600 174.067 -0.467 18989 13370 1 19 . 1 1 39 39 LYS CA C 39 55.800 55.800 56.657 -0.857 18989 13371 1 19 . 1 1 39 39 LYS CB C 39 36.500 36.500 34.788 1.712 18989 13372 1 19 . 1 1 40 40 CYS N N 40 125.100 125.100 121.744 3.356 18989 13373 1 19 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.103 0.307 18989 13374 1 19 . 1 1 40 40 CYS C C 40 173.000 173.000 173.285 -0.285 18989 13375 1 19 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.984 -0.884 18989 13376 1 19 . 1 1 40 40 CYS CB C 40 30.100 30.100 31.172 -1.072 18989 13377 1 19 . 1 1 41 41 TRP N N 41 124.300 124.300 126.424 -2.124 18989 13378 1 19 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.240 0.590 18989 13379 1 19 . 1 1 41 41 TRP C C 41 174.100 174.100 173.626 0.474 18989 13380 1 19 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.525 -0.225 18989 13381 1 19 . 1 1 41 41 TRP CB C 41 32.400 32.400 32.547 -0.147 18989 13382 1 19 . 1 1 42 42 TRP N N 42 123.700 123.700 126.381 -2.681 18989 13383 1 19 . 1 1 42 42 TRP HA H 42 4.830 4.830 5.114 -0.284 18989 13384 1 19 . 1 1 42 42 TRP C C 42 178.200 178.200 174.447 3.753 18989 13385 1 19 . 1 1 42 42 TRP CA C 42 57.000 57.000 55.228 1.772 18989 13386 1 19 . 1 1 42 42 TRP CB C 42 31.600 31.600 31.212 0.388 18989 13387 1 19 . 1 1 43 43 ASP N N 43 124.400 124.400 121.705 2.695 18989 13388 1 19 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.687 -0.007 18989 13389 1 19 . 1 1 43 43 ASP C C 43 176.300 176.300 177.388 -1.088 18989 13390 1 19 . 1 1 43 43 ASP CA C 43 56.300 56.300 56.906 -0.606 18989 13391 1 19 . 1 1 43 43 ASP CB C 43 40.300 40.300 42.022 -1.722 18989 13392 1 19 . 1 1 44 44 GLU N N 44 119.400 119.400 118.982 0.418 18989 13393 1 19 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.293 -0.023 18989 13394 1 19 . 1 1 44 44 GLU C C 44 176.500 176.500 178.163 -1.663 18989 13395 1 19 . 1 1 44 44 GLU CA C 44 57.600 57.600 57.888 -0.288 18989 13396 1 19 . 1 1 44 44 GLU CB C 44 30.200 30.200 29.075 1.125 18989 13397 1 19 . 1 1 45 45 ASP N N 45 118.300 118.300 120.440 -2.140 18989 13398 1 19 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.443 0.037 18989 13399 1 19 . 1 1 45 45 ASP C C 45 175.900 175.900 177.211 -1.311 18989 13400 1 19 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.484 -0.484 18989 13401 1 19 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.573 -0.373 18989 13402 1 19 . 1 1 46 46 GLU N N 46 118.200 118.200 117.739 0.461 18989 13403 1 19 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.202 0.258 18989 13404 1 19 . 1 1 46 46 GLU C C 46 175.200 175.200 177.148 -1.948 18989 13405 1 19 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.839 -0.239 18989 13406 1 19 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.140 0.659 18989 13407 1 19 . 1 1 47 47 GLY N N 47 106.400 106.400 107.780 -1.380 18989 13408 1 19 . 1 1 47 47 GLY CA C 47 43.600 43.600 43.685 -0.085 18989 13409 1 19 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.546 0.044 18989 13410 1 19 . 1 1 48 48 PRO C C 48 173.400 173.400 175.752 -2.352 18989 13411 1 19 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.222 0.878 18989 13412 1 19 . 1 1 48 48 PRO CB C 48 29.100 29.100 30.820 -1.720 18989 13413 1 19 . 1 1 49 49 VAL N N 49 121.900 121.900 116.505 5.395 18989 13414 1 19 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.617 -0.007 18989 13415 1 19 . 1 1 49 49 VAL C C 49 175.100 175.100 175.114 -0.014 18989 13416 1 19 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.055 1.245 18989 13417 1 19 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.195 1.305 18989 13418 1 19 . 1 1 50 50 VAL N N 50 121.700 121.700 121.405 0.295 18989 13419 1 19 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.925 -0.625 18989 13420 1 19 . 1 1 50 50 VAL C C 50 177.400 177.400 176.924 0.476 18989 13421 1 19 . 1 1 50 50 VAL CA C 50 66.200 66.200 64.166 2.034 18989 13422 1 19 . 1 1 50 50 VAL CB C 50 31.300 31.300 30.489 0.811 18989 13423 1 19 . 1 1 51 51 GLY N N 51 115.800 115.800 116.459 -0.659 18989 13424 1 19 . 1 1 51 51 GLY C C 51 174.200 174.200 173.645 0.555 18989 13425 1 19 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.535 0.065 18989 13426 1 19 . 1 1 52 52 ALA N N 52 123.000 123.000 125.086 -2.086 18989 13427 1 19 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.170 0.380 18989 13428 1 19 . 1 1 52 52 ALA C C 52 177.300 177.300 176.131 1.169 18989 13429 1 19 . 1 1 52 52 ALA CA C 52 52.800 52.800 52.435 0.365 18989 13430 1 19 . 1 1 52 52 ALA CB C 52 23.100 23.100 19.671 3.429 18989 13431 1 19 . 1 1 53 53 HIS N N 53 115.900 115.900 120.750 -4.850 18989 13432 1 19 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.451 0.569 18989 13433 1 19 . 1 1 53 53 HIS C C 53 174.200 174.200 174.521 -0.321 18989 13434 1 19 . 1 1 53 53 HIS CA C 53 55.200 55.200 54.709 0.491 18989 13435 1 19 . 1 1 53 53 HIS CB C 53 32.100 32.100 32.176 -0.076 18989 13436 1 19 . 1 1 54 54 PHE N N 54 115.800 115.800 120.717 -4.917 18989 13437 1 19 . 1 1 54 54 PHE HA H 54 5.150 5.150 4.993 0.157 18989 13438 1 19 . 1 1 54 54 PHE C C 54 172.600 172.600 175.169 -2.569 18989 13439 1 19 . 1 1 54 54 PHE CA C 54 55.500 55.500 56.865 -1.365 18989 13440 1 19 . 1 1 54 54 PHE CB C 54 41.700 41.700 40.220 1.480 18989 13441 1 19 . 1 1 55 55 THR N N 55 118.300 118.300 122.194 -3.894 18989 13442 1 19 . 1 1 55 55 THR HA H 55 4.770 4.770 4.514 0.256 18989 13443 1 19 . 1 1 55 55 THR C C 55 171.800 171.800 173.882 -2.082 18989 13444 1 19 . 1 1 55 55 THR CA C 55 61.000 61.000 63.411 -2.411 18989 13445 1 19 . 1 1 55 55 THR CB C 55 70.200 70.200 68.677 1.523 18989 13446 1 19 . 1 1 56 56 GLY N N 56 110.500 110.500 113.548 -3.048 18989 13447 1 19 . 1 1 56 56 GLY C C 56 171.100 171.100 172.270 -1.170 18989 13448 1 19 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.841 -0.541 18989 13449 1 19 . 1 1 57 57 ARG N N 57 123.800 123.800 126.727 -2.927 18989 13450 1 19 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.587 0.073 18989 13451 1 19 . 1 1 57 57 ARG C C 57 172.900 172.900 174.755 -1.855 18989 13452 1 19 . 1 1 57 57 ARG CA C 57 55.300 55.300 55.749 -0.449 18989 13453 1 19 . 1 1 57 57 ARG CB C 57 32.500 32.500 31.435 1.065 18989 13454 1 19 . 1 1 58 58 ASN N N 58 127.200 127.200 124.858 2.342 18989 13455 1 19 . 1 1 58 58 ASN HA H 58 5.060 5.060 4.918 0.142 18989 13456 1 19 . 1 1 58 58 ASN C C 58 173.100 173.100 173.041 0.059 18989 13457 1 19 . 1 1 58 58 ASN CA C 58 51.900 51.900 51.842 0.058 18989 13458 1 19 . 1 1 58 58 ASN CB C 58 38.800 38.800 41.127 -2.327 18989 13459 1 19 . 1 1 59 59 VAL N N 59 121.400 121.400 124.213 -2.813 18989 13460 1 19 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.027 0.653 18989 13461 1 19 . 1 1 59 59 VAL C C 59 175.100 175.100 174.216 0.884 18989 13462 1 19 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.124 2.276 18989 13463 1 19 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.102 1.698 18989 13464 1 19 . 1 1 60 60 THR N N 60 118.000 118.000 118.423 -0.423 18989 13465 1 19 . 1 1 60 60 THR HA H 60 5.000 5.000 4.872 0.128 18989 13466 1 19 . 1 1 60 60 THR CA C 60 58.900 58.900 58.535 0.365 18989 13467 1 19 . 1 1 60 60 THR CB C 60 70.200 70.200 69.598 0.602 18989 13468 1 19 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.356 -0.076 18989 13469 1 19 . 1 1 61 61 PRO C C 61 177.700 177.700 176.798 0.902 18989 13470 1 19 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.930 0.570 18989 13471 1 19 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.836 -0.036 18989 13472 1 19 . 1 1 62 62 GLU N N 62 111.700 111.700 118.403 -6.703 18989 13473 1 19 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.419 -0.139 18989 13474 1 19 . 1 1 62 62 GLU C C 62 176.500 176.500 176.858 -0.358 18989 13475 1 19 . 1 1 62 62 GLU CA C 62 57.600 57.600 57.169 0.431 18989 13476 1 19 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.215 0.785 18989 13477 1 19 . 1 1 63 63 ARG N N 63 118.000 118.000 117.465 0.535 18989 13478 1 19 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.734 -0.044 18989 13479 1 19 . 1 1 63 63 ARG C C 63 174.000 174.000 174.401 -0.401 18989 13480 1 19 . 1 1 63 63 ARG CA C 63 56.700 56.700 54.852 1.848 18989 13481 1 19 . 1 1 63 63 ARG CB C 63 33.700 33.700 34.028 -0.328 18989 13482 1 19 . 1 1 64 64 THR N N 64 120.700 120.700 117.860 2.840 18989 13483 1 19 . 1 1 64 64 THR HA H 64 5.780 5.780 4.672 1.108 18989 13484 1 19 . 1 1 64 64 THR C C 64 174.000 174.000 173.999 0.001 18989 13485 1 19 . 1 1 64 64 THR CA C 64 61.600 61.600 61.990 -0.390 18989 13486 1 19 . 1 1 64 64 THR CB C 64 71.700 71.700 69.085 2.615 18989 13487 1 19 . 1 1 65 65 TRP N N 65 128.000 128.000 126.258 1.742 18989 13488 1 19 . 1 1 65 65 TRP HA H 65 5.170 5.170 5.122 0.048 18989 13489 1 19 . 1 1 65 65 TRP C C 65 172.800 172.800 174.014 -1.214 18989 13490 1 19 . 1 1 65 65 TRP CA C 65 57.300 57.300 54.593 2.707 18989 13491 1 19 . 1 1 65 65 TRP CB C 65 32.900 32.900 30.740 2.160 18989 13492 1 19 . 1 1 66 66 GLU N N 66 120.800 120.800 126.056 -5.256 18989 13493 1 19 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.512 1.078 18989 13494 1 19 . 1 1 66 66 GLU C C 66 177.300 177.300 176.177 1.123 18989 13495 1 19 . 1 1 66 66 GLU CA C 66 54.200 54.200 55.862 -1.662 18989 13496 1 19 . 1 1 66 66 GLU CB C 66 32.700 32.700 30.697 2.003 18989 13497 1 19 . 1 1 67 67 THR N N 67 113.700 113.700 120.198 -6.498 18989 13498 1 19 . 1 1 67 67 THR HA H 67 4.750 4.750 4.797 -0.047 18989 13499 1 19 . 1 1 67 67 THR C C 67 173.300 173.300 174.337 -1.037 18989 13500 1 19 . 1 1 67 67 THR CA C 67 59.500 59.500 61.275 -1.774 18989 13501 1 19 . 1 1 67 67 THR CB C 67 71.500 71.500 70.037 1.463 18989 13502 1 19 . 1 1 68 68 ARG N N 68 125.300 125.300 128.800 -3.500 18989 13503 1 19 . 1 1 68 68 ARG HA H 68 4.860 4.860 5.095 -0.235 18989 13504 1 19 . 1 1 68 68 ARG C C 68 175.700 175.700 175.788 -0.088 18989 13505 1 19 . 1 1 68 68 ARG CA C 68 55.000 55.000 55.422 -0.422 18989 13506 1 19 . 1 1 68 68 ARG CB C 68 31.700 31.700 30.286 1.414 18989 13507 1 19 . 1 1 69 69 SER N N 69 122.000 122.000 120.341 1.659 18989 13508 1 19 . 1 1 69 69 SER HA H 69 5.570 5.570 4.967 0.603 18989 13509 1 19 . 1 1 69 69 SER C C 69 172.200 172.200 173.375 -1.175 18989 13510 1 19 . 1 1 69 69 SER CA C 69 58.000 58.000 58.392 -0.392 18989 13511 1 19 . 1 1 69 69 SER CB C 69 66.700 66.700 65.425 1.275 18989 13512 1 19 . 1 1 70 70 GLU N N 70 121.900 121.900 125.392 -3.492 18989 13513 1 19 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.971 0.229 18989 13514 1 19 . 1 1 70 70 GLU C C 70 176.000 176.000 175.587 0.413 18989 13515 1 19 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.408 -0.808 18989 13516 1 19 . 1 1 70 70 GLU CB C 70 34.700 34.700 32.799 1.901 18989 13517 1 19 . 1 1 71 71 VAL N N 71 126.600 126.600 125.635 0.965 18989 13518 1 19 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.152 0.098 18989 13519 1 19 . 1 1 71 71 VAL C C 71 177.600 177.600 176.837 0.763 18989 13520 1 19 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.937 0.863 18989 13521 1 19 . 1 1 71 71 VAL CB C 71 32.200 32.200 31.002 1.198 18989 13522 1 19 . 1 1 72 72 ILE N N 72 123.200 123.200 124.361 -1.161 18989 13523 1 19 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.463 0.267 18989 13524 1 19 . 1 1 72 72 ILE C C 72 175.200 175.200 175.786 -0.586 18989 13525 1 19 . 1 1 72 72 ILE CA C 72 62.000 62.000 61.567 0.433 18989 13526 1 19 . 1 1 72 72 ILE CB C 72 39.600 39.600 39.273 0.327 18989 13527 1 19 . 1 1 73 73 VAL N N 73 121.700 121.700 119.384 2.316 18989 13528 1 19 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.424 -0.224 18989 13529 1 19 . 1 1 73 73 VAL C C 73 172.000 172.000 173.230 -1.230 18989 13530 1 19 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.284 0.816 18989 13531 1 19 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.058 -0.358 18989 13532 1 19 . 1 1 74 74 ALA N N 74 131.100 131.100 130.228 0.872 18989 13533 1 19 . 1 1 74 74 ALA HA H 74 5.320 5.320 4.911 0.409 18989 13534 1 19 . 1 1 74 74 ALA C C 74 174.900 174.900 176.611 -1.711 18989 13535 1 19 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.443 1.257 18989 13536 1 19 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.564 -2.264 18989 13537 1 19 . 1 1 75 75 GLU N N 75 126.100 126.100 125.687 0.413 18989 13538 1 19 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.831 0.139 18989 13539 1 19 . 1 1 75 75 GLU CA C 75 52.100 52.100 53.074 -0.974 18989 13540 1 19 . 1 1 75 75 GLU CB C 75 31.300 31.300 30.051 1.249 18989 13541 1 19 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.257 -1.637 18989 13542 1 19 . 1 1 76 76 PRO CA C 76 63.900 63.900 64.396 -0.496 18989 13543 1 19 . 1 1 76 76 PRO CB C 76 31.900 31.900 32.323 -0.423 18989 13544 1 19 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.091 -0.331 18989 13545 1 19 . 1 1 77 77 ASN C C 77 172.700 172.700 173.751 -1.051 18989 13546 1 19 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.585 1.515 18989 13547 1 19 . 1 1 77 77 ASN CB C 77 36.900 36.900 38.374 -1.474 18989 13548 1 19 . 1 1 78 78 ARG N N 78 115.300 115.300 123.192 -7.892 18989 13549 1 19 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.323 0.577 18989 13550 1 19 . 1 1 78 78 ARG C C 78 176.000 176.000 173.989 2.011 18989 13551 1 19 . 1 1 78 78 ARG CA C 78 58.300 58.300 57.371 0.929 18989 13552 1 19 . 1 1 78 78 ARG CB C 78 34.000 34.000 31.337 2.663 18989 13553 1 19 . 1 1 79 79 CYS N N 79 117.700 117.700 116.875 0.825 18989 13554 1 19 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.461 0.209 18989 13555 1 19 . 1 1 79 79 CYS C C 79 172.200 172.200 172.394 -0.194 18989 13556 1 19 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.313 -0.113 18989 13557 1 19 . 1 1 79 79 CYS CB C 79 29.500 29.500 30.895 -1.395 18989 13558 1 19 . 1 1 80 80 PHE N N 80 129.500 129.500 126.379 3.121 18989 13559 1 19 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.142 0.378 18989 13560 1 19 . 1 1 80 80 PHE C C 80 173.400 173.400 173.705 -0.305 18989 13561 1 19 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.660 1.240 18989 13562 1 19 . 1 1 80 80 PHE CB C 80 43.800 43.800 42.416 1.384 18989 13563 1 19 . 1 1 81 81 GLY N N 81 114.500 114.500 115.449 -0.949 18989 13564 1 19 . 1 1 81 81 GLY C C 81 171.900 171.900 172.124 -0.224 18989 13565 1 19 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.162 2.438 18989 13566 1 19 . 1 1 82 82 TRP N N 82 121.700 121.700 122.327 -0.627 18989 13567 1 19 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.387 0.403 18989 13568 1 19 . 1 1 82 82 TRP C C 82 171.500 171.500 173.569 -2.069 18989 13569 1 19 . 1 1 82 82 TRP CA C 82 57.400 57.400 53.686 3.714 18989 13570 1 19 . 1 1 82 82 TRP CB C 82 33.900 33.900 31.010 2.890 18989 13571 1 19 . 1 1 83 83 SER N N 83 113.600 113.600 118.607 -5.007 18989 13572 1 19 . 1 1 83 83 SER HA H 83 5.680 5.680 5.171 0.509 18989 13573 1 19 . 1 1 83 83 SER C C 83 174.500 174.500 174.191 0.309 18989 13574 1 19 . 1 1 83 83 SER CA C 83 54.800 54.800 55.982 -1.182 18989 13575 1 19 . 1 1 83 83 SER CB C 83 66.700 66.700 63.868 2.832 18989 13576 1 19 . 1 1 84 84 VAL N N 84 125.400 125.400 129.534 -4.134 18989 13577 1 19 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.079 0.771 18989 13578 1 19 . 1 1 84 84 VAL C C 84 176.500 176.500 175.781 0.719 18989 13579 1 19 . 1 1 84 84 VAL CA C 84 61.400 61.400 63.409 -2.009 18989 13580 1 19 . 1 1 84 84 VAL CB C 84 34.600 34.600 31.933 2.667 18989 13581 1 19 . 1 1 85 85 THR N N 85 120.300 120.300 118.362 1.938 18989 13582 1 19 . 1 1 85 85 THR HA H 85 3.720 3.720 4.003 -0.283 18989 13583 1 19 . 1 1 85 85 THR C C 85 173.500 173.500 174.147 -0.647 18989 13584 1 19 . 1 1 85 85 THR CA C 85 62.900 62.900 63.928 -1.028 18989 13585 1 19 . 1 1 85 85 THR CB C 85 66.600 66.600 68.762 -2.162 18989 13586 1 19 . 1 1 86 86 ASP N N 86 119.000 119.000 120.911 -1.911 18989 13587 1 19 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.390 -0.170 18989 13588 1 19 . 1 1 86 86 ASP C C 86 177.100 177.100 176.536 0.564 18989 13589 1 19 . 1 1 86 86 ASP CA C 86 54.700 54.700 54.283 0.417 18989 13590 1 19 . 1 1 86 86 ASP CB C 86 39.700 39.700 38.596 1.104 18989 13591 1 19 . 1 1 87 87 GLY N N 87 103.400 103.400 112.351 -8.951 18989 13592 1 19 . 1 1 87 87 GLY C C 87 175.000 175.000 174.156 0.844 18989 13593 1 19 . 1 1 87 87 GLY CA C 87 45.600 45.600 45.786 -0.186 18989 13594 1 19 . 1 1 88 88 ASN N N 88 122.300 122.300 118.399 3.901 18989 13595 1 19 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.690 -0.580 18989 13596 1 19 . 1 1 88 88 ASN C C 88 174.500 174.500 174.494 0.006 18989 13597 1 19 . 1 1 88 88 ASN CA C 88 55.600 55.600 54.102 1.498 18989 13598 1 19 . 1 1 88 88 ASN CB C 88 38.200 38.200 40.547 -2.347 18989 13599 1 19 . 1 1 89 89 VAL N N 89 115.700 115.700 119.779 -4.079 18989 13600 1 19 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.116 0.714 18989 13601 1 19 . 1 1 89 89 VAL C C 89 174.700 174.700 174.347 0.353 18989 13602 1 19 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.408 -1.808 18989 13603 1 19 . 1 1 89 89 VAL CB C 89 37.000 37.000 33.348 3.652 18989 13604 1 19 . 1 1 90 90 LYS N N 90 123.600 123.600 124.475 -0.875 18989 13605 1 19 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.577 0.433 18989 13606 1 19 . 1 1 90 90 LYS C C 90 174.100 174.100 175.300 -1.200 18989 13607 1 19 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.427 -0.527 18989 13608 1 19 . 1 1 90 90 LYS CB C 90 36.300 36.300 34.984 1.316 18989 13609 1 19 . 1 1 91 91 TRP N N 91 124.600 124.600 124.919 -0.319 18989 13610 1 19 . 1 1 91 91 TRP HA H 91 5.100 5.100 5.190 -0.090 18989 13611 1 19 . 1 1 91 91 TRP C C 91 174.600 174.600 175.675 -1.075 18989 13612 1 19 . 1 1 91 91 TRP CA C 91 54.900 54.900 56.139 -1.239 18989 13613 1 19 . 1 1 91 91 TRP CB C 91 30.800 30.800 30.971 -0.171 18989 13614 1 19 . 1 1 92 92 ILE N N 92 118.000 118.000 123.829 -5.829 18989 13615 1 19 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.607 -0.047 18989 13616 1 19 . 1 1 92 92 ILE C C 92 176.300 176.300 174.635 1.665 18989 13617 1 19 . 1 1 92 92 ILE CA C 92 60.800 60.800 60.683 0.117 18989 13618 1 19 . 1 1 92 92 ILE CB C 92 42.100 42.100 39.066 3.034 18989 13619 1 19 . 1 1 93 93 TYR N N 93 127.700 127.700 128.419 -0.719 18989 13620 1 19 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.104 0.746 18989 13621 1 19 . 1 1 93 93 TYR C C 93 175.300 175.300 175.508 -0.208 18989 13622 1 19 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.798 0.302 18989 13623 1 19 . 1 1 93 93 TYR CB C 93 40.800 40.800 38.945 1.855 18989 13624 1 19 . 1 1 94 94 SER N N 94 117.900 117.900 120.101 -2.201 18989 13625 1 19 . 1 1 94 94 SER HA H 94 5.510 5.510 4.873 0.637 18989 13626 1 19 . 1 1 94 94 SER C C 94 172.700 172.700 173.712 -1.012 18989 13627 1 19 . 1 1 94 94 SER CA C 94 57.300 57.300 58.689 -1.389 18989 13628 1 19 . 1 1 94 94 SER CB C 94 65.600 65.600 64.567 1.033 18989 13629 1 19 . 1 1 95 95 MET N N 95 119.600 119.600 125.047 -5.447 18989 13630 1 19 . 1 1 95 95 MET HA H 95 5.840 5.840 4.974 0.866 18989 13631 1 19 . 1 1 95 95 MET C C 95 173.800 173.800 175.238 -1.438 18989 13632 1 19 . 1 1 95 95 MET CA C 95 54.200 54.200 54.198 0.002 18989 13633 1 19 . 1 1 95 95 MET CB C 95 37.400 37.400 34.214 3.186 18989 13634 1 19 . 1 1 96 96 GLU N N 96 119.100 119.100 123.961 -4.861 18989 13635 1 19 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.838 0.132 18989 13636 1 19 . 1 1 96 96 GLU CA C 96 52.900 52.900 52.798 0.102 18989 13637 1 19 . 1 1 96 96 GLU CB C 96 33.000 33.000 29.535 3.465 18989 13638 1 19 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.443 0.377 18989 13639 1 19 . 1 1 97 97 PRO C C 97 176.300 176.300 176.132 0.168 18989 13640 1 19 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.812 0.288 18989 13641 1 19 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.552 1.149 18989 13642 1 19 . 1 1 98 98 LEU N N 98 122.900 122.900 126.846 -3.946 18989 13643 1 19 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.575 -0.045 18989 13644 1 19 . 1 1 98 98 LEU C C 98 176.200 176.200 177.077 -0.877 18989 13645 1 19 . 1 1 98 98 LEU CA C 98 54.200 54.200 53.042 1.158 18989 13646 1 19 . 1 1 98 98 LEU CB C 98 44.100 44.100 43.830 0.271 18989 13647 1 19 . 1 1 99 99 GLU N N 99 124.700 124.700 118.652 6.048 18989 13648 1 19 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.259 -0.399 18989 13649 1 19 . 1 1 99 99 GLU C C 99 176.900 176.900 176.942 -0.042 18989 13650 1 19 . 1 1 99 99 GLU CA C 99 59.500 59.500 57.627 1.873 18989 13651 1 19 . 1 1 99 99 GLU CB C 99 28.000 28.000 30.078 -2.078 18989 13652 1 19 . 1 1 100 100 GLU N N 100 118.200 118.200 118.566 -0.366 18989 13653 1 19 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.338 0.092 18989 13654 1 19 . 1 1 100 100 GLU C C 100 176.200 176.200 176.687 -0.487 18989 13655 1 19 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.476 -0.076 18989 13656 1 19 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.288 -0.388 18989 13657 1 19 . 1 1 101 101 GLY N N 101 110.100 110.100 106.698 3.402 18989 13658 1 19 . 1 1 101 101 GLY C C 101 174.100 174.100 172.610 1.490 18989 13659 1 19 . 1 1 101 101 GLY CA C 101 45.000 45.000 44.905 0.095 18989 13660 1 19 . 1 1 102 102 THR N N 102 120.200 120.200 116.862 3.338 18989 13661 1 19 . 1 1 102 102 THR HA H 102 4.850 4.850 5.136 -0.286 18989 13662 1 19 . 1 1 102 102 THR C C 102 172.700 172.700 173.525 -0.825 18989 13663 1 19 . 1 1 102 102 THR CA C 102 63.700 63.700 62.272 1.428 18989 13664 1 19 . 1 1 102 102 THR CB C 102 73.600 73.600 72.389 1.211 18989 13665 1 19 . 1 1 103 103 VAL N N 103 125.600 125.600 127.899 -2.299 18989 13666 1 19 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.477 0.433 18989 13667 1 19 . 1 1 103 103 VAL C C 103 175.000 175.000 175.411 -0.411 18989 13668 1 19 . 1 1 103 103 VAL CA C 103 61.300 61.300 62.217 -0.917 18989 13669 1 19 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.723 0.978 18989 13670 1 19 . 1 1 104 104 LEU N N 104 133.900 133.900 131.337 2.563 18989 13671 1 19 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.824 0.316 18989 13672 1 19 . 1 1 104 104 LEU C C 104 173.800 173.800 175.722 -1.922 18989 13673 1 19 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.393 -1.093 18989 13674 1 19 . 1 1 104 104 LEU CB C 104 46.100 46.100 41.892 4.208 18989 13675 1 19 . 1 1 105 105 THR N N 105 124.400 124.400 124.754 -0.354 18989 13676 1 19 . 1 1 105 105 THR HA H 105 5.210 5.210 4.948 0.262 18989 13677 1 19 . 1 1 105 105 THR C C 105 173.500 173.500 173.508 -0.008 18989 13678 1 19 . 1 1 105 105 THR CA C 105 61.500 61.500 61.838 -0.338 18989 13679 1 19 . 1 1 105 105 THR CB C 105 71.100 71.100 69.691 1.409 18989 13680 1 19 . 1 1 106 106 GLU N N 106 126.900 126.900 128.215 -1.315 18989 13681 1 19 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.842 0.518 18989 13682 1 19 . 1 1 106 106 GLU C C 106 173.400 173.400 175.780 -2.380 18989 13683 1 19 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.175 0.225 18989 13684 1 19 . 1 1 106 106 GLU CB C 106 32.000 32.000 31.333 0.667 18989 13685 1 19 . 1 1 107 107 SER N N 107 120.800 120.800 115.927 4.873 18989 13686 1 19 . 1 1 107 107 SER HA H 107 5.470 5.470 4.663 0.807 18989 13687 1 19 . 1 1 107 107 SER C C 107 171.600 171.600 172.889 -1.289 18989 13688 1 19 . 1 1 107 107 SER CA C 107 56.000 56.000 57.658 -1.658 18989 13689 1 19 . 1 1 107 107 SER CB C 107 66.700 66.700 64.629 2.071 18989 13690 1 19 . 1 1 108 108 TRP N N 108 124.600 124.600 129.382 -4.782 18989 13691 1 19 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.506 0.174 18989 13692 1 19 . 1 1 108 108 TRP C C 108 175.000 175.000 174.395 0.605 18989 13693 1 19 . 1 1 108 108 TRP CA C 108 55.900 55.900 55.324 0.576 18989 13694 1 19 . 1 1 108 108 TRP CB C 108 33.600 33.600 30.448 3.152 18989 13695 1 19 . 1 1 109 109 GLU N N 109 127.200 127.200 129.392 -2.192 18989 13696 1 19 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.214 0.286 18989 13697 1 19 . 1 1 109 109 GLU C C 109 172.300 172.300 174.548 -2.248 18989 13698 1 19 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.157 -0.058 18989 13699 1 19 . 1 1 109 109 GLU CB C 109 32.900 32.900 31.437 1.463 18989 13700 1 19 . 1 1 110 110 PHE N N 110 129.400 129.400 128.774 0.626 18989 13701 1 19 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.685 0.005 18989 13702 1 19 . 1 1 110 110 PHE C C 110 177.100 177.100 174.509 2.591 18989 13703 1 19 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.927 -2.927 18989 13704 1 19 . 1 1 110 110 PHE CB C 110 38.500 38.500 39.489 -0.989 18989 13705 1 19 . 1 1 111 111 THR N N 111 117.800 117.800 120.069 -2.269 18989 13706 1 19 . 1 1 111 111 THR HA H 111 4.510 4.510 4.587 -0.077 18989 13707 1 19 . 1 1 111 111 THR CA C 111 61.800 61.800 59.529 2.272 18989 13708 1 19 . 1 1 111 111 THR CB C 111 66.100 66.100 68.676 -2.576 18989 13709 1 19 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.511 -0.521 18989 13710 1 19 . 1 1 113 113 LYS C C 113 179.200 179.200 178.332 0.868 18989 13711 1 19 . 1 1 114 114 GLY N N 114 110.100 110.100 108.473 1.627 18989 13712 1 19 . 1 1 114 114 GLY CA C 114 47.100 47.100 47.408 -0.308 18989 13713 1 19 . 1 1 115 115 GLN N N 115 121.100 121.100 119.298 1.802 18989 13714 1 19 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.488 -0.478 18989 13715 1 19 . 1 1 115 115 GLN C C 115 178.000 178.000 177.769 0.231 18989 13716 1 19 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.609 1.291 18989 13717 1 19 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.449 0.951 18989 13718 1 19 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.198 -0.058 18989 13719 1 19 . 1 1 116 116 ARG C C 116 177.900 177.900 177.977 -0.077 18989 13720 1 19 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.124 0.376 18989 13721 1 19 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.594 0.406 18989 13722 1 19 . 1 1 117 117 PHE N N 117 120.800 120.800 119.775 1.025 18989 13723 1 19 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.248 0.222 18989 13724 1 19 . 1 1 117 117 PHE C C 117 178.100 178.100 177.363 0.737 18989 13725 1 19 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.163 0.037 18989 13726 1 19 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.928 0.072 18989 13727 1 19 . 1 1 118 118 PHE N N 118 119.600 119.600 117.754 1.846 18989 13728 1 19 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.174 0.056 18989 13729 1 19 . 1 1 118 118 PHE C C 118 178.500 178.500 177.909 0.591 18989 13730 1 19 . 1 1 118 118 PHE CA C 118 62.300 62.300 62.815 -0.515 18989 13731 1 19 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.634 0.566 18989 13732 1 19 . 1 1 119 119 HIS N N 119 120.900 120.900 119.507 1.393 18989 13733 1 19 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.804 -0.184 18989 13734 1 19 . 1 1 119 119 HIS C C 119 178.500 178.500 177.168 1.332 18989 13735 1 19 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.415 0.485 18989 13736 1 19 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.292 -0.592 18989 13737 1 19 . 1 1 120 120 ASP N N 120 120.400 120.400 119.849 0.551 18989 13738 1 19 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.419 -0.089 18989 13739 1 19 . 1 1 120 120 ASP C C 120 177.500 177.500 177.867 -0.367 18989 13740 1 19 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.673 0.527 18989 13741 1 19 . 1 1 120 120 ASP CB C 120 40.500 40.500 41.135 -0.635 18989 13742 1 19 . 1 1 121 121 LYS N N 121 118.100 118.100 117.001 1.099 18989 13743 1 19 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.863 -0.053 18989 13744 1 19 . 1 1 121 121 LYS C C 121 178.200 178.200 176.741 1.459 18989 13745 1 19 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.306 0.794 18989 13746 1 19 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.941 0.259 18989 13747 1 19 . 1 1 122 122 PHE N N 122 112.800 112.800 119.208 -6.408 18989 13748 1 19 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.667 0.013 18989 13749 1 19 . 1 1 122 122 PHE C C 122 177.600 177.600 175.931 1.669 18989 13750 1 19 . 1 1 122 122 PHE CA C 122 58.100 58.100 56.207 1.893 18989 13751 1 19 . 1 1 122 122 PHE CB C 122 40.000 40.000 39.360 0.640 18989 13752 1 19 . 1 1 123 123 GLY N N 123 112.200 112.200 111.129 1.071 18989 13753 1 19 . 1 1 123 123 GLY CA C 123 47.300 47.300 47.201 0.099 18989 13754 1 19 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.530 0.050 18989 13755 1 19 . 1 1 124 124 ASP C C 124 177.700 177.700 178.574 -0.874 18989 13756 1 19 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.149 0.651 18989 13757 1 19 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.596 -0.496 18989 13758 1 19 . 1 1 125 125 LYS N N 125 118.400 118.400 119.426 -1.026 18989 13759 1 19 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.336 0.334 18989 13760 1 19 . 1 1 125 125 LYS C C 125 177.100 177.100 178.124 -1.024 18989 13761 1 19 . 1 1 125 125 LYS CA C 125 56.000 56.000 56.748 -0.748 18989 13762 1 19 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.060 0.240 18989 13763 1 19 . 1 1 126 126 SER N N 126 116.600 116.600 115.991 0.609 18989 13764 1 19 . 1 1 126 126 SER HA H 126 3.830 3.830 4.302 -0.472 18989 13765 1 19 . 1 1 126 126 SER C C 126 175.700 175.700 175.915 -0.215 18989 13766 1 19 . 1 1 126 126 SER CA C 126 62.700 62.700 61.832 0.868 18989 13767 1 19 . 1 1 126 126 SER CB C 126 63.000 63.000 62.554 0.446 18989 13768 1 19 . 1 1 127 127 ILE N N 127 122.300 122.300 122.399 -0.099 18989 13769 1 19 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.799 0.011 18989 13770 1 19 . 1 1 127 127 ILE C C 127 178.500 178.500 177.896 0.604 18989 13771 1 19 . 1 1 127 127 ILE CA C 127 65.000 65.000 64.506 0.494 18989 13772 1 19 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.566 -0.766 18989 13773 1 19 . 1 1 128 128 GLU N N 128 120.500 120.500 119.594 0.906 18989 13774 1 19 . 1 1 128 128 GLU HA H 128 4.100 4.100 4.037 0.063 18989 13775 1 19 . 1 1 128 128 GLU C C 128 179.400 179.400 179.054 0.346 18989 13776 1 19 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.362 -0.062 18989 13777 1 19 . 1 1 128 128 GLU CB C 128 29.700 29.700 28.896 0.804 18989 13778 1 19 . 1 1 129 129 GLU N N 129 118.800 118.800 119.275 -0.475 18989 13779 1 19 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.929 -0.019 18989 13780 1 19 . 1 1 129 129 GLU C C 129 179.900 179.900 179.097 0.803 18989 13781 1 19 . 1 1 129 129 GLU CA C 129 59.000 59.000 59.010 -0.010 18989 13782 1 19 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.311 -0.111 18989 13783 1 19 . 1 1 130 130 ILE N N 130 122.700 122.700 115.578 7.122 18989 13784 1 19 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.693 -0.213 18989 13785 1 19 . 1 1 130 130 ILE C C 130 177.600 177.600 177.688 -0.088 18989 13786 1 19 . 1 1 130 130 ILE CA C 130 66.400 66.400 63.715 2.685 18989 13787 1 19 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.420 0.879 18989 13788 1 19 . 1 1 131 131 GLU N N 131 120.100 120.100 121.550 -1.450 18989 13789 1 19 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.916 0.474 18989 13790 1 19 . 1 1 131 131 GLU C C 131 178.800 178.800 178.560 0.240 18989 13791 1 19 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.832 -1.232 18989 13792 1 19 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.542 -0.642 18989 13793 1 19 . 1 1 132 132 LYS N N 132 118.300 118.300 118.391 -0.091 18989 13794 1 19 . 1 1 132 132 LYS HA H 132 3.960 3.960 4.002 -0.042 18989 13795 1 19 . 1 1 132 132 LYS C C 132 180.400 180.400 179.281 1.119 18989 13796 1 19 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.059 1.241 18989 13797 1 19 . 1 1 132 132 LYS CB C 132 32.700 32.700 31.977 0.723 18989 13798 1 19 . 1 1 133 133 ARG N N 133 118.400 118.400 118.968 -0.568 18989 13799 1 19 . 1 1 133 133 ARG HA H 133 4.060 4.060 4.036 0.024 18989 13800 1 19 . 1 1 133 133 ARG C C 133 178.600 178.600 178.594 0.006 18989 13801 1 19 . 1 1 133 133 ARG CA C 133 58.000 58.000 57.999 0.001 18989 13802 1 19 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.359 0.041 18989 13803 1 19 . 1 1 134 134 ARG N N 134 122.500 122.500 120.934 1.566 18989 13804 1 19 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.267 -0.657 18989 13805 1 19 . 1 1 134 134 ARG C C 134 177.600 177.600 178.655 -1.055 18989 13806 1 19 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.420 -0.020 18989 13807 1 19 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.046 0.954 18989 13808 1 19 . 1 1 135 135 LEU N N 135 118.200 118.200 118.918 -0.718 18989 13809 1 19 . 1 1 135 135 LEU HA H 135 3.810 3.810 4.015 -0.205 18989 13810 1 19 . 1 1 135 135 LEU C C 135 179.700 179.700 179.089 0.611 18989 13811 1 19 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.715 -0.015 18989 13812 1 19 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.670 -0.270 18989 13813 1 19 . 1 1 136 136 ALA N N 136 120.400 120.400 121.022 -0.622 18989 13814 1 19 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.912 0.118 18989 13815 1 19 . 1 1 136 136 ALA C C 136 180.500 180.500 179.371 1.129 18989 13816 1 19 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.942 -0.242 18989 13817 1 19 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.948 0.152 18989 13818 1 19 . 1 1 137 137 ALA N N 137 123.200 123.200 120.969 2.231 18989 13819 1 19 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.760 0.140 18989 13820 1 19 . 1 1 137 137 ALA C C 137 178.700 178.700 179.015 -0.315 18989 13821 1 19 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.661 0.639 18989 13822 1 19 . 1 1 137 137 ALA CB C 137 15.800 15.800 18.087 -2.287 18989 13823 1 19 . 1 1 138 138 ILE N N 138 115.400 115.400 117.103 -1.703 18989 13824 1 19 . 1 1 138 138 ILE HA H 138 2.830 2.830 3.285 -0.455 18989 13825 1 19 . 1 1 138 138 ILE C C 138 177.800 177.800 177.687 0.113 18989 13826 1 19 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.169 0.030 18989 13827 1 19 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.518 -0.118 18989 13828 1 19 . 1 1 139 139 THR N N 139 109.500 109.500 114.567 -5.067 18989 13829 1 19 . 1 1 139 139 THR HA H 139 4.150 4.150 4.280 -0.130 18989 13830 1 19 . 1 1 139 139 THR C C 139 177.300 177.300 176.804 0.496 18989 13831 1 19 . 1 1 139 139 THR CA C 139 64.000 64.000 65.740 -1.740 18989 13832 1 19 . 1 1 139 139 THR CB C 139 69.600 69.600 68.954 0.646 18989 13833 1 19 . 1 1 140 140 GLY N N 140 110.800 110.800 110.352 0.448 18989 13834 1 19 . 1 1 140 140 GLY C C 140 176.700 176.700 175.909 0.791 18989 13835 1 19 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.524 0.276 18989 13836 1 19 . 1 1 141 141 ILE N N 141 122.700 122.700 123.217 -0.517 18989 13837 1 19 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.066 0.094 18989 13838 1 19 . 1 1 141 141 ILE CA C 141 68.300 68.300 66.573 1.727 18989 13839 1 19 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.184 0.117 18989 13840 1 19 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.534 -0.184 18989 13841 1 19 . 1 1 142 142 PRO C C 142 179.300 179.300 179.287 0.013 18989 13842 1 19 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.806 0.894 18989 13843 1 19 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.165 0.035 18989 13844 1 19 . 1 1 143 143 GLU N N 143 113.900 113.900 118.205 -4.305 18989 13845 1 19 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.080 0.090 18989 13846 1 19 . 1 1 143 143 GLU C C 143 179.600 179.600 179.023 0.577 18989 13847 1 19 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.654 -0.354 18989 13848 1 19 . 1 1 143 143 GLU CB C 143 30.000 30.000 28.992 1.008 18989 13849 1 19 . 1 1 144 144 THR N N 144 119.900 119.900 117.458 2.442 18989 13850 1 19 . 1 1 144 144 THR HA H 144 4.290 4.290 4.097 0.193 18989 13851 1 19 . 1 1 144 144 THR C C 144 175.800 175.800 176.637 -0.837 18989 13852 1 19 . 1 1 144 144 THR CA C 144 67.000 67.000 66.018 0.982 18989 13853 1 19 . 1 1 144 144 THR CB C 144 69.500 69.500 68.554 0.946 18989 13854 1 19 . 1 1 145 145 LEU N N 145 120.300 120.300 121.619 -1.319 18989 13855 1 19 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.127 -0.217 18989 13856 1 19 . 1 1 145 145 LEU C C 145 178.700 178.700 178.784 -0.084 18989 13857 1 19 . 1 1 145 145 LEU CA C 145 58.600 58.600 57.952 0.648 18989 13858 1 19 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.723 -0.223 18989 13859 1 19 . 1 1 146 146 VAL N N 146 117.600 117.600 118.147 -0.547 18989 13860 1 19 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.780 -0.100 18989 13861 1 19 . 1 1 146 146 VAL C C 146 177.700 177.700 178.385 -0.685 18989 13862 1 19 . 1 1 146 146 VAL CA C 146 66.100 66.100 65.550 0.550 18989 13863 1 19 . 1 1 146 146 VAL CB C 146 32.000 32.000 30.524 1.476 18989 13864 1 19 . 1 1 147 147 ALA N N 147 123.600 123.600 123.816 -0.216 18989 13865 1 19 . 1 1 147 147 ALA HA H 147 4.230 4.230 3.995 0.235 18989 13866 1 19 . 1 1 147 147 ALA C C 147 180.400 180.400 179.730 0.670 18989 13867 1 19 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.489 0.112 18989 13868 1 19 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.129 0.671 18989 13869 1 19 . 1 1 148 148 ILE N N 148 119.600 119.600 118.849 0.751 18989 13870 1 19 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.579 -0.269 18989 13871 1 19 . 1 1 148 148 ILE C C 148 177.100 177.100 178.151 -1.051 18989 13872 1 19 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.210 1.091 18989 13873 1 19 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.596 0.604 18989 13874 1 19 . 1 1 149 149 GLN N N 149 119.200 119.200 119.339 -0.139 18989 13875 1 19 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.877 -0.207 18989 13876 1 19 . 1 1 149 149 GLN C C 149 178.000 178.000 178.130 -0.130 18989 13877 1 19 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.336 0.764 18989 13878 1 19 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.581 1.019 18989 13879 1 19 . 1 1 150 150 ARG N N 150 120.500 120.500 119.857 0.643 18989 13880 1 19 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.320 -0.270 18989 13881 1 19 . 1 1 150 150 ARG C C 150 179.000 179.000 178.820 0.180 18989 13882 1 19 . 1 1 150 150 ARG CA C 150 59.300 59.300 58.539 0.761 18989 13883 1 19 . 1 1 150 150 ARG CB C 150 30.000 30.000 29.896 0.104 18989 13884 1 19 . 1 1 151 151 ILE N N 151 119.100 119.100 120.520 -1.420 18989 13885 1 19 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.786 -0.136 18989 13886 1 19 . 1 1 151 151 ILE C C 151 178.500 178.500 177.787 0.713 18989 13887 1 19 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.349 0.951 18989 13888 1 19 . 1 1 151 151 ILE CB C 151 39.000 39.000 37.870 1.130 18989 13889 1 19 . 1 1 152 152 LEU N N 152 117.100 117.100 120.180 -3.080 18989 13890 1 19 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.818 0.262 18989 13891 1 19 . 1 1 152 152 LEU C C 152 178.700 178.700 178.901 -0.201 18989 13892 1 19 . 1 1 152 152 LEU CA C 152 57.000 57.000 58.172 -1.173 18989 13893 1 19 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.632 1.268 18989 13894 1 19 . 1 1 153 153 GLU N N 153 117.800 117.800 119.221 -1.421 18989 13895 1 19 . 1 1 153 153 GLU HA H 153 4.170 4.170 4.007 0.163 18989 13896 1 19 . 1 1 153 153 GLU C C 153 178.300 178.300 179.484 -1.184 18989 13897 1 19 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.390 -0.690 18989 13898 1 19 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.622 -0.322 18989 13899 1 19 . 1 1 154 154 VAL N N 154 119.500 119.500 119.210 0.290 18989 13900 1 19 . 1 1 154 154 VAL HA H 154 4.000 4.000 4.041 -0.041 18989 13901 1 19 . 1 1 154 154 VAL C C 154 177.500 177.500 178.327 -0.827 18989 13902 1 19 . 1 1 154 154 VAL CA C 154 64.700 64.700 65.891 -1.191 18989 13903 1 19 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.949 0.251 18989 13904 1 19 . 1 1 155 155 GLU N N 155 121.300 121.300 119.928 1.372 18989 13905 1 19 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.204 -0.024 18989 13906 1 19 . 1 1 155 155 GLU C C 155 177.600 177.600 178.058 -0.458 18989 13907 1 19 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.349 -0.349 18989 13908 1 19 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.584 0.116 18989 13909 1 19 . 1 1 156 156 LEU N N 156 120.800 120.800 118.791 2.009 18989 13910 1 19 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.097 0.133 18989 13911 1 19 . 1 1 156 156 LEU C C 156 178.000 178.000 178.617 -0.617 18989 13912 1 19 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.152 -0.952 18989 13913 1 19 . 1 1 156 156 LEU CB C 156 42.300 42.300 41.940 0.360 18989 13914 1 19 . 1 1 157 157 GLU N N 157 119.700 119.700 117.832 1.868 18989 13915 1 19 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.186 -0.056 18989 13916 1 19 . 1 1 157 157 GLU C C 157 177.000 177.000 176.587 0.413 18989 13917 1 19 . 1 1 157 157 GLU CA C 157 57.400 57.400 56.672 0.728 18989 13918 1 19 . 1 1 157 157 GLU CB C 157 29.800 29.800 30.222 -0.422 18989 13919 1 19 . 1 1 158 158 HIS N N 158 117.700 117.700 117.994 -0.294 18989 13920 1 19 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.203 0.427 18989 13921 1 19 . 1 1 158 158 HIS C C 158 173.900 173.900 174.609 -0.709 18989 13922 1 19 . 1 1 158 158 HIS CA C 158 56.000 56.000 57.196 -1.196 18989 13923 1 19 . 1 1 158 158 HIS CB C 158 30.000 30.000 29.181 0.819 18989 13924 1 19 . 1 1 159 159 HIS N N 159 125.200 125.200 120.836 4.364 18989 13925 1 19 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.093 0.347 18989 13926 1 19 . 1 1 159 159 HIS CA C 159 57.300 57.300 57.361 -0.062 18989 13927 1 19 . 1 1 159 159 HIS CB C 159 28.800 28.800 29.338 -0.538 18989 13928 1 20 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.263 0.137 18989 13929 1 20 . 1 1 2 2 PRO CA C 2 62.400 62.400 63.338 -0.938 18989 13930 1 20 . 1 1 2 2 PRO CB C 2 32.800 32.800 32.221 0.579 18989 13931 1 20 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.043 0.437 18989 13932 1 20 . 1 1 3 3 LYS C C 3 176.600 176.600 175.663 0.937 18989 13933 1 20 . 1 1 3 3 LYS CA C 3 55.900 55.900 56.371 -0.471 18989 13934 1 20 . 1 1 3 3 LYS CB C 3 34.200 34.200 31.681 2.519 18989 13935 1 20 . 1 1 4 4 SER N N 4 117.800 117.800 111.254 6.546 18989 13936 1 20 . 1 1 4 4 SER HA H 4 4.220 4.220 4.244 -0.024 18989 13937 1 20 . 1 1 4 4 SER C C 4 174.100 174.100 173.589 0.511 18989 13938 1 20 . 1 1 4 4 SER CA C 4 59.700 59.700 58.761 0.939 18989 13939 1 20 . 1 1 4 4 SER CB C 4 63.700 63.700 63.217 0.483 18989 13940 1 20 . 1 1 5 5 LEU N N 5 124.700 124.700 123.398 1.302 18989 13941 1 20 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.664 0.136 18989 13942 1 20 . 1 1 5 5 LEU C C 5 175.500 175.500 175.183 0.317 18989 13943 1 20 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.304 -0.304 18989 13944 1 20 . 1 1 5 5 LEU CB C 5 43.200 43.200 41.964 1.236 18989 13945 1 20 . 1 1 6 6 THR N N 6 111.200 111.200 118.854 -7.654 18989 13946 1 20 . 1 1 6 6 THR HA H 6 5.620 5.620 5.089 0.531 18989 13947 1 20 . 1 1 6 6 THR C C 6 174.500 174.500 173.122 1.378 18989 13948 1 20 . 1 1 6 6 THR CA C 6 59.700 59.700 60.672 -0.972 18989 13949 1 20 . 1 1 6 6 THR CB C 6 73.000 73.000 70.912 2.087 18989 13950 1 20 . 1 1 7 7 PHE N N 7 120.700 120.700 124.576 -3.876 18989 13951 1 20 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.948 -0.198 18989 13952 1 20 . 1 1 7 7 PHE C C 7 172.100 172.100 172.885 -0.785 18989 13953 1 20 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.031 2.269 18989 13954 1 20 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.289 0.211 18989 13955 1 20 . 1 1 8 8 GLU N N 8 122.100 122.100 121.929 0.171 18989 13956 1 20 . 1 1 8 8 GLU HA H 8 5.380 5.380 5.044 0.336 18989 13957 1 20 . 1 1 8 8 GLU C C 8 172.500 172.500 174.064 -1.564 18989 13958 1 20 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.461 0.039 18989 13959 1 20 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.162 0.338 18989 13960 1 20 . 1 1 9 9 ASP N N 9 117.400 117.400 118.883 -1.483 18989 13961 1 20 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.774 0.046 18989 13962 1 20 . 1 1 9 9 ASP C C 9 173.500 173.500 173.855 -0.355 18989 13963 1 20 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.776 -0.676 18989 13964 1 20 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.424 0.676 18989 13965 1 20 . 1 1 10 10 SER N N 10 113.600 113.600 117.075 -3.475 18989 13966 1 20 . 1 1 10 10 SER HA H 10 5.990 5.990 5.505 0.485 18989 13967 1 20 . 1 1 10 10 SER C C 10 172.600 172.600 173.114 -0.514 18989 13968 1 20 . 1 1 10 10 SER CA C 10 57.300 57.300 57.534 -0.234 18989 13969 1 20 . 1 1 10 10 SER CB C 10 68.100 68.100 66.079 2.021 18989 13970 1 20 . 1 1 11 11 ILE N N 11 122.700 122.700 123.424 -0.724 18989 13971 1 20 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.361 0.159 18989 13972 1 20 . 1 1 11 11 ILE C C 11 171.300 171.300 173.524 -2.224 18989 13973 1 20 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.745 0.255 18989 13974 1 20 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.152 1.248 18989 13975 1 20 . 1 1 12 12 ASN N N 12 124.600 124.600 126.622 -2.022 18989 13976 1 20 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.937 0.343 18989 13977 1 20 . 1 1 12 12 ASN C C 12 174.700 174.700 174.941 -0.241 18989 13978 1 20 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.895 -0.595 18989 13979 1 20 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.160 0.440 18989 13980 1 20 . 1 1 13 13 ILE N N 13 122.900 122.900 125.255 -2.355 18989 13981 1 20 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.307 0.143 18989 13982 1 20 . 1 1 13 13 ILE C C 13 175.300 175.300 176.435 -1.135 18989 13983 1 20 . 1 1 13 13 ILE CA C 13 60.300 60.300 60.514 -0.214 18989 13984 1 20 . 1 1 13 13 ILE CB C 13 41.600 41.600 39.486 2.114 18989 13985 1 20 . 1 1 14 14 ALA N N 14 136.600 136.600 128.119 8.481 18989 13986 1 20 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.236 0.464 18989 13987 1 20 . 1 1 14 14 ALA C C 14 175.100 175.100 176.731 -1.631 18989 13988 1 20 . 1 1 14 14 ALA CA C 14 51.000 51.000 53.392 -2.392 18989 13989 1 20 . 1 1 14 14 ALA CB C 14 16.300 16.300 18.885 -2.585 18989 13990 1 20 . 1 1 15 15 ALA N N 15 122.100 122.100 119.905 2.195 18989 13991 1 20 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.571 0.189 18989 13992 1 20 . 1 1 15 15 ALA CA C 15 50.000 50.000 49.022 0.978 18989 13993 1 20 . 1 1 15 15 ALA CB C 15 21.100 21.100 19.244 1.856 18989 13994 1 20 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.103 0.507 18989 13995 1 20 . 1 1 16 16 PRO C C 16 179.200 179.200 177.754 1.446 18989 13996 1 20 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.315 -0.215 18989 13997 1 20 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.532 0.568 18989 13998 1 20 . 1 1 17 17 ILE N N 17 124.400 124.400 121.065 3.335 18989 13999 1 20 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.682 0.308 18989 14000 1 20 . 1 1 17 17 ILE C C 17 175.800 175.800 176.859 -1.059 18989 14001 1 20 . 1 1 17 17 ILE CA C 17 65.700 65.700 65.062 0.638 18989 14002 1 20 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.210 0.490 18989 14003 1 20 . 1 1 18 18 ASN N N 18 117.200 117.200 117.539 -0.339 18989 14004 1 20 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.442 0.247 18989 14005 1 20 . 1 1 18 18 ASN C C 18 178.700 178.700 177.716 0.984 18989 14006 1 20 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.494 -0.694 18989 14007 1 20 . 1 1 18 18 ASN CB C 18 37.100 37.100 37.844 -0.744 18989 14008 1 20 . 1 1 19 19 GLN N N 19 120.300 120.300 119.432 0.868 18989 14009 1 20 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.124 -0.004 18989 14010 1 20 . 1 1 19 19 GLN C C 19 178.500 178.500 178.671 -0.171 18989 14011 1 20 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.694 -0.394 18989 14012 1 20 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.418 -0.118 18989 14013 1 20 . 1 1 20 20 VAL N N 20 120.300 120.300 121.053 -0.753 18989 14014 1 20 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.656 -0.206 18989 14015 1 20 . 1 1 20 20 VAL C C 20 177.500 177.500 177.785 -0.285 18989 14016 1 20 . 1 1 20 20 VAL CA C 20 66.200 66.200 67.194 -0.994 18989 14017 1 20 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.647 -0.747 18989 14018 1 20 . 1 1 21 21 TYR N N 21 118.800 118.800 120.282 -1.482 18989 14019 1 20 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.064 -0.484 18989 14020 1 20 . 1 1 21 21 TYR C C 21 177.800 177.800 177.032 0.768 18989 14021 1 20 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.033 1.867 18989 14022 1 20 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.031 0.369 18989 14023 1 20 . 1 1 22 22 ALA N N 22 120.400 120.400 121.227 -0.827 18989 14024 1 20 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.802 -0.042 18989 14025 1 20 . 1 1 22 22 ALA C C 22 178.000 178.000 178.822 -0.822 18989 14026 1 20 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.860 -0.160 18989 14027 1 20 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.574 -0.074 18989 14028 1 20 . 1 1 23 23 LEU N N 23 116.400 116.400 116.314 0.086 18989 14029 1 20 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.303 -0.073 18989 14030 1 20 . 1 1 23 23 LEU C C 23 177.200 177.200 178.571 -1.371 18989 14031 1 20 . 1 1 23 23 LEU CA C 23 58.000 58.000 55.419 2.581 18989 14032 1 20 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.291 1.109 18989 14033 1 20 . 1 1 24 24 VAL N N 24 128.600 128.600 119.094 9.506 18989 14034 1 20 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.726 -0.366 18989 14035 1 20 . 1 1 24 24 VAL C C 24 175.200 175.200 176.571 -1.371 18989 14036 1 20 . 1 1 24 24 VAL CA C 24 64.300 64.300 65.072 -0.771 18989 14037 1 20 . 1 1 24 24 VAL CB C 24 30.800 30.800 32.350 -1.550 18989 14038 1 20 . 1 1 25 25 SER N N 25 108.500 108.500 111.639 -3.139 18989 14039 1 20 . 1 1 25 25 SER HA H 25 2.520 2.520 3.864 -1.344 18989 14040 1 20 . 1 1 25 25 SER CA C 25 58.200 58.200 60.321 -2.121 18989 14041 1 20 . 1 1 25 25 SER CB C 25 63.600 63.600 62.520 1.080 18989 14042 1 20 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.858 0.052 18989 14043 1 20 . 1 1 26 26 ASP C C 26 175.500 175.500 175.923 -0.423 18989 14044 1 20 . 1 1 26 26 ASP CA C 26 51.200 51.200 53.078 -1.878 18989 14045 1 20 . 1 1 26 26 ASP CB C 26 38.100 38.100 42.952 -4.852 18989 14046 1 20 . 1 1 27 27 ILE N N 27 123.500 123.500 111.993 11.507 18989 14047 1 20 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.566 -1.176 18989 14048 1 20 . 1 1 27 27 ILE C C 27 178.900 178.900 175.601 3.299 18989 14049 1 20 . 1 1 27 27 ILE CA C 27 61.700 61.700 61.371 0.329 18989 14050 1 20 . 1 1 27 27 ILE CB C 27 36.600 36.600 38.974 -2.374 18989 14051 1 20 . 1 1 28 28 THR N N 28 112.500 112.500 116.349 -3.849 18989 14052 1 20 . 1 1 28 28 THR HA H 28 4.350 4.350 4.238 0.112 18989 14053 1 20 . 1 1 28 28 THR C C 28 176.500 176.500 176.161 0.339 18989 14054 1 20 . 1 1 28 28 THR CA C 28 64.000 64.000 64.021 -0.021 18989 14055 1 20 . 1 1 28 28 THR CB C 28 68.600 68.600 69.424 -0.824 18989 14056 1 20 . 1 1 29 29 ARG N N 29 121.100 121.100 121.036 0.064 18989 14057 1 20 . 1 1 29 29 ARG HA H 29 4.280 4.280 3.939 0.341 18989 14058 1 20 . 1 1 29 29 ARG CA C 29 56.200 56.200 58.108 -1.907 18989 14059 1 20 . 1 1 29 29 ARG CB C 29 30.600 30.600 30.299 0.301 18989 14060 1 20 . 1 1 30 30 THR HA H 30 5.870 5.870 4.176 1.694 18989 14061 1 20 . 1 1 30 30 THR C C 30 174.000 174.000 175.353 -1.353 18989 14062 1 20 . 1 1 30 30 THR CA C 30 66.000 66.000 63.589 2.412 18989 14063 1 20 . 1 1 30 30 THR CB C 30 69.400 69.400 69.975 -0.575 18989 14064 1 20 . 1 1 31 31 GLY N N 31 106.200 106.200 110.670 -4.470 18989 14065 1 20 . 1 1 31 31 GLY C C 31 175.200 175.200 175.014 0.186 18989 14066 1 20 . 1 1 31 31 GLY CA C 31 46.200 46.200 44.989 1.210 18989 14067 1 20 . 1 1 32 32 GLU N N 32 118.400 118.400 124.389 -5.989 18989 14068 1 20 . 1 1 32 32 GLU HA H 32 3.970 3.970 3.933 0.037 18989 14069 1 20 . 1 1 32 32 GLU C C 32 177.500 177.500 178.100 -0.600 18989 14070 1 20 . 1 1 32 32 GLU CA C 32 58.800 58.800 57.780 1.020 18989 14071 1 20 . 1 1 32 32 GLU CB C 32 29.800 29.800 30.203 -0.403 18989 14072 1 20 . 1 1 33 33 TRP N N 33 113.200 113.200 122.549 -9.349 18989 14073 1 20 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.630 0.310 18989 14074 1 20 . 1 1 33 33 TRP C C 33 175.300 175.300 175.444 -0.144 18989 14075 1 20 . 1 1 33 33 TRP CA C 33 56.400 56.400 56.452 -0.052 18989 14076 1 20 . 1 1 33 33 TRP CB C 33 30.600 30.600 28.158 2.442 18989 14077 1 20 . 1 1 34 34 SER N N 34 118.600 118.600 117.118 1.482 18989 14078 1 20 . 1 1 34 34 SER HA H 34 4.930 4.930 4.270 0.660 18989 14079 1 20 . 1 1 34 34 SER CA C 34 54.700 54.700 58.540 -3.840 18989 14080 1 20 . 1 1 34 34 SER CB C 34 63.000 63.000 61.942 1.058 18989 14081 1 20 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.648 -0.188 18989 14082 1 20 . 1 1 35 35 PRO C C 35 177.100 177.100 177.135 -0.035 18989 14083 1 20 . 1 1 35 35 PRO CA C 35 64.500 64.500 62.435 2.065 18989 14084 1 20 . 1 1 35 35 PRO CB C 35 32.300 32.300 32.678 -0.378 18989 14085 1 20 . 1 1 36 36 VAL N N 36 113.900 113.900 113.571 0.329 18989 14086 1 20 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.154 -0.054 18989 14087 1 20 . 1 1 36 36 VAL C C 36 174.200 174.200 176.072 -1.872 18989 14088 1 20 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.660 0.240 18989 14089 1 20 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.539 0.961 18989 14090 1 20 . 1 1 37 37 CYS N N 37 121.000 121.000 120.295 0.705 18989 14091 1 20 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.349 0.111 18989 14092 1 20 . 1 1 37 37 CYS C C 37 173.600 173.600 175.082 -1.482 18989 14093 1 20 . 1 1 37 37 CYS CA C 37 58.500 58.500 59.860 -1.360 18989 14094 1 20 . 1 1 37 37 CYS CB C 37 27.000 27.000 26.970 0.030 18989 14095 1 20 . 1 1 38 38 GLU N N 38 129.300 129.300 128.239 1.061 18989 14096 1 20 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.126 0.014 18989 14097 1 20 . 1 1 38 38 GLU C C 38 176.500 176.500 176.692 -0.192 18989 14098 1 20 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.634 -0.734 18989 14099 1 20 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.326 1.474 18989 14100 1 20 . 1 1 39 39 LYS N N 39 117.100 117.100 117.463 -0.363 18989 14101 1 20 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.402 0.068 18989 14102 1 20 . 1 1 39 39 LYS C C 39 173.600 173.600 173.912 -0.312 18989 14103 1 20 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.775 0.025 18989 14104 1 20 . 1 1 39 39 LYS CB C 39 36.500 36.500 35.400 1.100 18989 14105 1 20 . 1 1 40 40 CYS N N 40 125.100 125.100 122.842 2.258 18989 14106 1 20 . 1 1 40 40 CYS HA H 40 5.410 5.410 4.576 0.834 18989 14107 1 20 . 1 1 40 40 CYS C C 40 173.000 173.000 172.178 0.822 18989 14108 1 20 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.814 -0.714 18989 14109 1 20 . 1 1 40 40 CYS CB C 40 30.100 30.100 29.394 0.706 18989 14110 1 20 . 1 1 41 41 TRP N N 41 124.300 124.300 126.833 -2.533 18989 14111 1 20 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.741 0.089 18989 14112 1 20 . 1 1 41 41 TRP C C 41 174.100 174.100 173.893 0.207 18989 14113 1 20 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.055 0.245 18989 14114 1 20 . 1 1 41 41 TRP CB C 41 32.400 32.400 31.820 0.580 18989 14115 1 20 . 1 1 42 42 TRP N N 42 123.700 123.700 119.419 4.281 18989 14116 1 20 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.879 -0.049 18989 14117 1 20 . 1 1 42 42 TRP C C 42 178.200 178.200 176.500 1.700 18989 14118 1 20 . 1 1 42 42 TRP CA C 42 57.000 57.000 55.157 1.843 18989 14119 1 20 . 1 1 42 42 TRP CB C 42 31.600 31.600 32.455 -0.855 18989 14120 1 20 . 1 1 43 43 ASP N N 43 124.400 124.400 121.895 2.505 18989 14121 1 20 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.215 0.465 18989 14122 1 20 . 1 1 43 43 ASP C C 43 176.300 176.300 176.968 -0.668 18989 14123 1 20 . 1 1 43 43 ASP CA C 43 56.300 56.300 54.956 1.343 18989 14124 1 20 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.873 -0.573 18989 14125 1 20 . 1 1 44 44 GLU N N 44 119.400 119.400 118.282 1.118 18989 14126 1 20 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.047 0.223 18989 14127 1 20 . 1 1 44 44 GLU C C 44 176.500 176.500 176.992 -0.492 18989 14128 1 20 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.502 -0.902 18989 14129 1 20 . 1 1 44 44 GLU CB C 44 30.200 30.200 28.791 1.409 18989 14130 1 20 . 1 1 45 45 ASP N N 45 118.300 118.300 119.072 -0.772 18989 14131 1 20 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.395 0.085 18989 14132 1 20 . 1 1 45 45 ASP C C 45 175.900 175.900 177.635 -1.735 18989 14133 1 20 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.535 -0.535 18989 14134 1 20 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.922 -0.723 18989 14135 1 20 . 1 1 46 46 GLU N N 46 118.200 118.200 118.143 0.057 18989 14136 1 20 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.373 0.087 18989 14137 1 20 . 1 1 46 46 GLU C C 46 175.200 175.200 177.111 -1.911 18989 14138 1 20 . 1 1 46 46 GLU CA C 46 56.600 56.600 57.090 -0.490 18989 14139 1 20 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.990 -0.190 18989 14140 1 20 . 1 1 47 47 GLY N N 47 106.400 106.400 107.455 -1.055 18989 14141 1 20 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.520 -0.920 18989 14142 1 20 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.614 -0.024 18989 14143 1 20 . 1 1 48 48 PRO C C 48 173.400 173.400 176.132 -2.732 18989 14144 1 20 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.537 0.563 18989 14145 1 20 . 1 1 48 48 PRO CB C 48 29.100 29.100 30.498 -1.398 18989 14146 1 20 . 1 1 49 49 VAL N N 49 121.900 121.900 116.939 4.961 18989 14147 1 20 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.560 0.050 18989 14148 1 20 . 1 1 49 49 VAL C C 49 175.100 175.100 175.281 -0.181 18989 14149 1 20 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.907 0.393 18989 14150 1 20 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.426 1.073 18989 14151 1 20 . 1 1 50 50 VAL N N 50 121.700 121.700 121.812 -0.112 18989 14152 1 20 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.788 -0.488 18989 14153 1 20 . 1 1 50 50 VAL C C 50 177.400 177.400 177.116 0.284 18989 14154 1 20 . 1 1 50 50 VAL CA C 50 66.200 66.200 64.211 1.989 18989 14155 1 20 . 1 1 50 50 VAL CB C 50 31.300 31.300 31.043 0.257 18989 14156 1 20 . 1 1 51 51 GLY N N 51 115.800 115.800 116.925 -1.125 18989 14157 1 20 . 1 1 51 51 GLY C C 51 174.200 174.200 174.374 -0.174 18989 14158 1 20 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.669 -0.069 18989 14159 1 20 . 1 1 52 52 ALA N N 52 123.000 123.000 124.663 -1.663 18989 14160 1 20 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.231 0.319 18989 14161 1 20 . 1 1 52 52 ALA C C 52 177.300 177.300 175.876 1.424 18989 14162 1 20 . 1 1 52 52 ALA CA C 52 52.800 52.800 53.140 -0.340 18989 14163 1 20 . 1 1 52 52 ALA CB C 52 23.100 23.100 19.818 3.282 18989 14164 1 20 . 1 1 53 53 HIS N N 53 115.900 115.900 116.505 -0.605 18989 14165 1 20 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.884 0.136 18989 14166 1 20 . 1 1 53 53 HIS C C 53 174.200 174.200 174.017 0.183 18989 14167 1 20 . 1 1 53 53 HIS CA C 53 55.200 55.200 54.082 1.118 18989 14168 1 20 . 1 1 53 53 HIS CB C 53 32.100 32.100 31.860 0.240 18989 14169 1 20 . 1 1 54 54 PHE N N 54 115.800 115.800 120.579 -4.779 18989 14170 1 20 . 1 1 54 54 PHE HA H 54 5.150 5.150 4.824 0.326 18989 14171 1 20 . 1 1 54 54 PHE C C 54 172.600 172.600 173.850 -1.250 18989 14172 1 20 . 1 1 54 54 PHE CA C 54 55.500 55.500 58.112 -2.612 18989 14173 1 20 . 1 1 54 54 PHE CB C 54 41.700 41.700 43.704 -2.004 18989 14174 1 20 . 1 1 55 55 THR N N 55 118.300 118.300 116.711 1.589 18989 14175 1 20 . 1 1 55 55 THR HA H 55 4.770 4.770 4.446 0.324 18989 14176 1 20 . 1 1 55 55 THR C C 55 171.800 171.800 173.407 -1.607 18989 14177 1 20 . 1 1 55 55 THR CA C 55 61.000 61.000 61.867 -0.867 18989 14178 1 20 . 1 1 55 55 THR CB C 55 70.200 70.200 69.761 0.439 18989 14179 1 20 . 1 1 56 56 GLY N N 56 110.500 110.500 109.508 0.992 18989 14180 1 20 . 1 1 56 56 GLY C C 56 171.100 171.100 172.095 -0.995 18989 14181 1 20 . 1 1 56 56 GLY CA C 56 44.300 44.300 45.117 -0.817 18989 14182 1 20 . 1 1 57 57 ARG N N 57 123.800 123.800 120.120 3.680 18989 14183 1 20 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.730 -0.070 18989 14184 1 20 . 1 1 57 57 ARG C C 57 172.900 172.900 173.753 -0.853 18989 14185 1 20 . 1 1 57 57 ARG CA C 57 55.300 55.300 55.696 -0.396 18989 14186 1 20 . 1 1 57 57 ARG CB C 57 32.500 32.500 34.210 -1.710 18989 14187 1 20 . 1 1 58 58 ASN N N 58 127.200 127.200 124.320 2.880 18989 14188 1 20 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.291 -0.231 18989 14189 1 20 . 1 1 58 58 ASN C C 58 173.100 173.100 173.156 -0.056 18989 14190 1 20 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.187 -1.287 18989 14191 1 20 . 1 1 58 58 ASN CB C 58 38.800 38.800 41.859 -3.059 18989 14192 1 20 . 1 1 59 59 VAL N N 59 121.400 121.400 126.544 -5.144 18989 14193 1 20 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.532 0.148 18989 14194 1 20 . 1 1 59 59 VAL C C 59 175.100 175.100 173.506 1.594 18989 14195 1 20 . 1 1 59 59 VAL CA C 59 62.400 62.400 59.733 2.667 18989 14196 1 20 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.221 1.579 18989 14197 1 20 . 1 1 60 60 THR N N 60 118.000 118.000 119.494 -1.494 18989 14198 1 20 . 1 1 60 60 THR HA H 60 5.000 5.000 5.007 -0.007 18989 14199 1 20 . 1 1 60 60 THR CA C 60 58.900 58.900 58.888 0.012 18989 14200 1 20 . 1 1 60 60 THR CB C 60 70.200 70.200 70.375 -0.175 18989 14201 1 20 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.238 0.042 18989 14202 1 20 . 1 1 61 61 PRO C C 61 177.700 177.700 177.962 -0.262 18989 14203 1 20 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.813 0.687 18989 14204 1 20 . 1 1 61 61 PRO CB C 61 31.800 31.800 32.157 -0.357 18989 14205 1 20 . 1 1 62 62 GLU N N 62 111.700 111.700 116.631 -4.931 18989 14206 1 20 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.199 0.081 18989 14207 1 20 . 1 1 62 62 GLU C C 62 176.500 176.500 176.312 0.188 18989 14208 1 20 . 1 1 62 62 GLU CA C 62 57.600 57.600 57.663 -0.063 18989 14209 1 20 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.148 0.853 18989 14210 1 20 . 1 1 63 63 ARG N N 63 118.000 118.000 115.131 2.869 18989 14211 1 20 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.509 0.181 18989 14212 1 20 . 1 1 63 63 ARG C C 63 174.000 174.000 173.467 0.533 18989 14213 1 20 . 1 1 63 63 ARG CA C 63 56.700 56.700 54.644 2.057 18989 14214 1 20 . 1 1 63 63 ARG CB C 63 33.700 33.700 31.360 2.340 18989 14215 1 20 . 1 1 64 64 THR N N 64 120.700 120.700 119.429 1.271 18989 14216 1 20 . 1 1 64 64 THR HA H 64 5.780 5.780 5.291 0.489 18989 14217 1 20 . 1 1 64 64 THR C C 64 174.000 174.000 173.755 0.245 18989 14218 1 20 . 1 1 64 64 THR CA C 64 61.600 61.600 62.061 -0.461 18989 14219 1 20 . 1 1 64 64 THR CB C 64 71.700 71.700 70.474 1.226 18989 14220 1 20 . 1 1 65 65 TRP N N 65 128.000 128.000 126.458 1.542 18989 14221 1 20 . 1 1 65 65 TRP HA H 65 5.170 5.170 5.155 0.015 18989 14222 1 20 . 1 1 65 65 TRP C C 65 172.800 172.800 173.444 -0.644 18989 14223 1 20 . 1 1 65 65 TRP CA C 65 57.300 57.300 54.645 2.655 18989 14224 1 20 . 1 1 65 65 TRP CB C 65 32.900 32.900 30.281 2.619 18989 14225 1 20 . 1 1 66 66 GLU N N 66 120.800 120.800 123.827 -3.027 18989 14226 1 20 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.352 1.238 18989 14227 1 20 . 1 1 66 66 GLU C C 66 177.300 177.300 176.080 1.220 18989 14228 1 20 . 1 1 66 66 GLU CA C 66 54.200 54.200 56.210 -2.010 18989 14229 1 20 . 1 1 66 66 GLU CB C 66 32.700 32.700 30.922 1.778 18989 14230 1 20 . 1 1 67 67 THR N N 67 113.700 113.700 119.001 -5.301 18989 14231 1 20 . 1 1 67 67 THR HA H 67 4.750 4.750 4.337 0.413 18989 14232 1 20 . 1 1 67 67 THR C C 67 173.300 173.300 173.865 -0.565 18989 14233 1 20 . 1 1 67 67 THR CA C 67 59.500 59.500 60.440 -0.940 18989 14234 1 20 . 1 1 67 67 THR CB C 67 71.500 71.500 69.214 2.286 18989 14235 1 20 . 1 1 68 68 ARG N N 68 125.300 125.300 127.720 -2.420 18989 14236 1 20 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.747 0.113 18989 14237 1 20 . 1 1 68 68 ARG C C 68 175.700 175.700 175.752 -0.052 18989 14238 1 20 . 1 1 68 68 ARG CA C 68 55.000 55.000 55.203 -0.203 18989 14239 1 20 . 1 1 68 68 ARG CB C 68 31.700 31.700 31.621 0.079 18989 14240 1 20 . 1 1 69 69 SER N N 69 122.000 122.000 120.690 1.310 18989 14241 1 20 . 1 1 69 69 SER HA H 69 5.570 5.570 5.197 0.373 18989 14242 1 20 . 1 1 69 69 SER C C 69 172.200 172.200 174.478 -2.278 18989 14243 1 20 . 1 1 69 69 SER CA C 69 58.000 58.000 56.673 1.327 18989 14244 1 20 . 1 1 69 69 SER CB C 69 66.700 66.700 64.076 2.624 18989 14245 1 20 . 1 1 70 70 GLU N N 70 121.900 121.900 127.235 -5.335 18989 14246 1 20 . 1 1 70 70 GLU HA H 70 5.200 5.200 5.127 0.073 18989 14247 1 20 . 1 1 70 70 GLU C C 70 176.000 176.000 176.708 -0.708 18989 14248 1 20 . 1 1 70 70 GLU CA C 70 53.600 53.600 55.165 -1.565 18989 14249 1 20 . 1 1 70 70 GLU CB C 70 34.700 34.700 31.565 3.135 18989 14250 1 20 . 1 1 71 71 VAL N N 71 126.600 126.600 127.093 -0.493 18989 14251 1 20 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.299 -0.049 18989 14252 1 20 . 1 1 71 71 VAL C C 71 177.600 177.600 176.803 0.797 18989 14253 1 20 . 1 1 71 71 VAL CA C 71 64.800 64.800 64.311 0.489 18989 14254 1 20 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.966 1.234 18989 14255 1 20 . 1 1 72 72 ILE N N 72 123.200 123.200 126.659 -3.459 18989 14256 1 20 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.373 0.357 18989 14257 1 20 . 1 1 72 72 ILE C C 72 175.200 175.200 175.503 -0.303 18989 14258 1 20 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.101 -0.101 18989 14259 1 20 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.687 0.913 18989 14260 1 20 . 1 1 73 73 VAL N N 73 121.700 121.700 120.286 1.414 18989 14261 1 20 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.343 -0.143 18989 14262 1 20 . 1 1 73 73 VAL C C 73 172.000 172.000 173.418 -1.418 18989 14263 1 20 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.410 0.689 18989 14264 1 20 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.972 -1.272 18989 14265 1 20 . 1 1 74 74 ALA N N 74 131.100 131.100 129.367 1.733 18989 14266 1 20 . 1 1 74 74 ALA HA H 74 5.320 5.320 4.662 0.658 18989 14267 1 20 . 1 1 74 74 ALA C C 74 174.900 174.900 175.398 -0.498 18989 14268 1 20 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.168 1.532 18989 14269 1 20 . 1 1 74 74 ALA CB C 74 18.300 18.300 21.353 -3.053 18989 14270 1 20 . 1 1 75 75 GLU N N 75 126.100 126.100 123.789 2.311 18989 14271 1 20 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.570 0.400 18989 14272 1 20 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.324 -0.224 18989 14273 1 20 . 1 1 75 75 GLU CB C 75 31.300 31.300 30.857 0.443 18989 14274 1 20 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.228 -1.608 18989 14275 1 20 . 1 1 76 76 PRO CA C 76 63.900 63.900 65.166 -1.266 18989 14276 1 20 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.963 -0.063 18989 14277 1 20 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.537 -0.776 18989 14278 1 20 . 1 1 77 77 ASN C C 77 172.700 172.700 173.761 -1.061 18989 14279 1 20 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.678 1.422 18989 14280 1 20 . 1 1 77 77 ASN CB C 77 36.900 36.900 38.862 -1.962 18989 14281 1 20 . 1 1 78 78 ARG N N 78 115.300 115.300 121.343 -6.043 18989 14282 1 20 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.491 0.409 18989 14283 1 20 . 1 1 78 78 ARG C C 78 176.000 176.000 173.877 2.123 18989 14284 1 20 . 1 1 78 78 ARG CA C 78 58.300 58.300 56.727 1.573 18989 14285 1 20 . 1 1 78 78 ARG CB C 78 34.000 34.000 31.950 2.050 18989 14286 1 20 . 1 1 79 79 CYS N N 79 117.700 117.700 117.494 0.206 18989 14287 1 20 . 1 1 79 79 CYS HA H 79 5.670 5.670 4.817 0.853 18989 14288 1 20 . 1 1 79 79 CYS C C 79 172.200 172.200 172.309 -0.109 18989 14289 1 20 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.819 -0.619 18989 14290 1 20 . 1 1 79 79 CYS CB C 79 29.500 29.500 31.317 -1.817 18989 14291 1 20 . 1 1 80 80 PHE N N 80 129.500 129.500 121.579 7.921 18989 14292 1 20 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.089 0.431 18989 14293 1 20 . 1 1 80 80 PHE C C 80 173.400 173.400 174.668 -1.268 18989 14294 1 20 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.816 1.084 18989 14295 1 20 . 1 1 80 80 PHE CB C 80 43.800 43.800 43.408 0.392 18989 14296 1 20 . 1 1 81 81 GLY N N 81 114.500 114.500 110.538 3.962 18989 14297 1 20 . 1 1 81 81 GLY C C 81 171.900 171.900 171.901 -0.001 18989 14298 1 20 . 1 1 81 81 GLY CA C 81 46.600 46.600 45.129 1.472 18989 14299 1 20 . 1 1 82 82 TRP N N 82 121.700 121.700 122.349 -0.649 18989 14300 1 20 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.818 -0.028 18989 14301 1 20 . 1 1 82 82 TRP C C 82 171.500 171.500 173.935 -2.435 18989 14302 1 20 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.792 2.607 18989 14303 1 20 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.521 1.379 18989 14304 1 20 . 1 1 83 83 SER N N 83 113.600 113.600 115.833 -2.233 18989 14305 1 20 . 1 1 83 83 SER HA H 83 5.680 5.680 5.299 0.381 18989 14306 1 20 . 1 1 83 83 SER C C 83 174.500 174.500 174.729 -0.229 18989 14307 1 20 . 1 1 83 83 SER CA C 83 54.800 54.800 57.121 -2.321 18989 14308 1 20 . 1 1 83 83 SER CB C 83 66.700 66.700 64.496 2.204 18989 14309 1 20 . 1 1 84 84 VAL N N 84 125.400 125.400 127.306 -1.906 18989 14310 1 20 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.277 0.573 18989 14311 1 20 . 1 1 84 84 VAL C C 84 176.500 176.500 177.477 -0.977 18989 14312 1 20 . 1 1 84 84 VAL CA C 84 61.400 61.400 62.782 -1.382 18989 14313 1 20 . 1 1 84 84 VAL CB C 84 34.600 34.600 32.920 1.680 18989 14314 1 20 . 1 1 85 85 THR N N 85 120.300 120.300 112.604 7.696 18989 14315 1 20 . 1 1 85 85 THR HA H 85 3.720 3.720 3.641 0.079 18989 14316 1 20 . 1 1 85 85 THR C C 85 173.500 173.500 174.590 -1.090 18989 14317 1 20 . 1 1 85 85 THR CA C 85 62.900 62.900 64.407 -1.507 18989 14318 1 20 . 1 1 85 85 THR CB C 85 66.600 66.600 67.515 -0.915 18989 14319 1 20 . 1 1 86 86 ASP N N 86 119.000 119.000 123.022 -4.022 18989 14320 1 20 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.702 -0.482 18989 14321 1 20 . 1 1 86 86 ASP C C 86 177.100 177.100 176.026 1.074 18989 14322 1 20 . 1 1 86 86 ASP CA C 86 54.700 54.700 54.322 0.378 18989 14323 1 20 . 1 1 86 86 ASP CB C 86 39.700 39.700 42.410 -2.710 18989 14324 1 20 . 1 1 87 87 GLY N N 87 103.400 103.400 107.381 -3.981 18989 14325 1 20 . 1 1 87 87 GLY C C 87 175.000 175.000 174.586 0.414 18989 14326 1 20 . 1 1 87 87 GLY CA C 87 45.600 45.600 45.281 0.320 18989 14327 1 20 . 1 1 88 88 ASN N N 88 122.300 122.300 121.075 1.225 18989 14328 1 20 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.426 -0.316 18989 14329 1 20 . 1 1 88 88 ASN C C 88 174.500 174.500 174.782 -0.282 18989 14330 1 20 . 1 1 88 88 ASN CA C 88 55.600 55.600 55.529 0.071 18989 14331 1 20 . 1 1 88 88 ASN CB C 88 38.200 38.200 39.302 -1.102 18989 14332 1 20 . 1 1 89 89 VAL N N 89 115.700 115.700 117.059 -1.359 18989 14333 1 20 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.086 0.744 18989 14334 1 20 . 1 1 89 89 VAL C C 89 174.700 174.700 174.377 0.323 18989 14335 1 20 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.129 -1.529 18989 14336 1 20 . 1 1 89 89 VAL CB C 89 37.000 37.000 34.664 2.336 18989 14337 1 20 . 1 1 90 90 LYS N N 90 123.600 123.600 122.695 0.905 18989 14338 1 20 . 1 1 90 90 LYS HA H 90 5.010 5.010 5.076 -0.066 18989 14339 1 20 . 1 1 90 90 LYS C C 90 174.100 174.100 174.860 -0.760 18989 14340 1 20 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.294 -0.394 18989 14341 1 20 . 1 1 90 90 LYS CB C 90 36.300 36.300 36.290 0.010 18989 14342 1 20 . 1 1 91 91 TRP N N 91 124.600 124.600 124.659 -0.059 18989 14343 1 20 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.840 0.260 18989 14344 1 20 . 1 1 91 91 TRP C C 91 174.600 174.600 174.886 -0.286 18989 14345 1 20 . 1 1 91 91 TRP CA C 91 54.900 54.900 56.163 -1.263 18989 14346 1 20 . 1 1 91 91 TRP CB C 91 30.800 30.800 30.254 0.546 18989 14347 1 20 . 1 1 92 92 ILE N N 92 118.000 118.000 125.380 -7.380 18989 14348 1 20 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.686 -0.126 18989 14349 1 20 . 1 1 92 92 ILE C C 92 176.300 176.300 174.498 1.802 18989 14350 1 20 . 1 1 92 92 ILE CA C 92 60.800 60.800 59.068 1.732 18989 14351 1 20 . 1 1 92 92 ILE CB C 92 42.100 42.100 38.303 3.796 18989 14352 1 20 . 1 1 93 93 TYR N N 93 127.700 127.700 125.626 2.074 18989 14353 1 20 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.695 0.155 18989 14354 1 20 . 1 1 93 93 TYR C C 93 175.300 175.300 173.368 1.932 18989 14355 1 20 . 1 1 93 93 TYR CA C 93 57.100 57.100 55.089 2.011 18989 14356 1 20 . 1 1 93 93 TYR CB C 93 40.800 40.800 42.254 -1.454 18989 14357 1 20 . 1 1 94 94 SER N N 94 117.900 117.900 115.276 2.624 18989 14358 1 20 . 1 1 94 94 SER HA H 94 5.510 5.510 4.783 0.727 18989 14359 1 20 . 1 1 94 94 SER C C 94 172.700 172.700 173.325 -0.625 18989 14360 1 20 . 1 1 94 94 SER CA C 94 57.300 57.300 56.519 0.781 18989 14361 1 20 . 1 1 94 94 SER CB C 94 65.600 65.600 66.328 -0.728 18989 14362 1 20 . 1 1 95 95 MET N N 95 119.600 119.600 121.826 -2.226 18989 14363 1 20 . 1 1 95 95 MET HA H 95 5.840 5.840 4.921 0.919 18989 14364 1 20 . 1 1 95 95 MET C C 95 173.800 173.800 175.624 -1.824 18989 14365 1 20 . 1 1 95 95 MET CA C 95 54.200 54.200 54.612 -0.412 18989 14366 1 20 . 1 1 95 95 MET CB C 95 37.400 37.400 33.385 4.015 18989 14367 1 20 . 1 1 96 96 GLU N N 96 119.100 119.100 124.014 -4.914 18989 14368 1 20 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.810 0.160 18989 14369 1 20 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.424 -0.524 18989 14370 1 20 . 1 1 96 96 GLU CB C 96 33.000 33.000 30.508 2.492 18989 14371 1 20 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.413 0.407 18989 14372 1 20 . 1 1 97 97 PRO C C 97 176.300 176.300 176.455 -0.155 18989 14373 1 20 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.742 0.358 18989 14374 1 20 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.684 1.016 18989 14375 1 20 . 1 1 98 98 LEU N N 98 122.900 122.900 126.796 -3.896 18989 14376 1 20 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.453 0.077 18989 14377 1 20 . 1 1 98 98 LEU C C 98 176.200 176.200 177.728 -1.528 18989 14378 1 20 . 1 1 98 98 LEU CA C 98 54.200 54.200 54.390 -0.190 18989 14379 1 20 . 1 1 98 98 LEU CB C 98 44.100 44.100 42.310 1.790 18989 14380 1 20 . 1 1 99 99 GLU N N 99 124.700 124.700 119.070 5.630 18989 14381 1 20 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.168 -0.308 18989 14382 1 20 . 1 1 99 99 GLU C C 99 176.900 176.900 178.690 -1.790 18989 14383 1 20 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.966 0.534 18989 14384 1 20 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.964 -1.964 18989 14385 1 20 . 1 1 100 100 GLU N N 100 118.200 118.200 117.237 0.963 18989 14386 1 20 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.243 0.187 18989 14387 1 20 . 1 1 100 100 GLU C C 100 176.200 176.200 176.869 -0.669 18989 14388 1 20 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.999 -0.599 18989 14389 1 20 . 1 1 100 100 GLU CB C 100 29.900 29.900 29.942 -0.042 18989 14390 1 20 . 1 1 101 101 GLY N N 101 110.100 110.100 105.319 4.781 18989 14391 1 20 . 1 1 101 101 GLY C C 101 174.100 174.100 173.093 1.007 18989 14392 1 20 . 1 1 101 101 GLY CA C 101 45.000 45.000 44.980 0.020 18989 14393 1 20 . 1 1 102 102 THR N N 102 120.200 120.200 116.574 3.626 18989 14394 1 20 . 1 1 102 102 THR HA H 102 4.850 4.850 4.911 -0.061 18989 14395 1 20 . 1 1 102 102 THR C C 102 172.700 172.700 173.531 -0.831 18989 14396 1 20 . 1 1 102 102 THR CA C 102 63.700 63.700 62.190 1.510 18989 14397 1 20 . 1 1 102 102 THR CB C 102 73.600 73.600 72.057 1.543 18989 14398 1 20 . 1 1 103 103 VAL N N 103 125.600 125.600 127.477 -1.877 18989 14399 1 20 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.444 0.466 18989 14400 1 20 . 1 1 103 103 VAL C C 103 175.000 175.000 175.034 -0.034 18989 14401 1 20 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.756 -0.456 18989 14402 1 20 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.292 1.408 18989 14403 1 20 . 1 1 104 104 LEU N N 104 133.900 133.900 131.517 2.383 18989 14404 1 20 . 1 1 104 104 LEU HA H 104 5.140 5.140 5.112 0.028 18989 14405 1 20 . 1 1 104 104 LEU C C 104 173.800 173.800 175.973 -2.173 18989 14406 1 20 . 1 1 104 104 LEU CA C 104 53.300 53.300 53.383 -0.083 18989 14407 1 20 . 1 1 104 104 LEU CB C 104 46.100 46.100 42.164 3.936 18989 14408 1 20 . 1 1 105 105 THR N N 105 124.400 124.400 125.237 -0.837 18989 14409 1 20 . 1 1 105 105 THR HA H 105 5.210 5.210 4.925 0.285 18989 14410 1 20 . 1 1 105 105 THR C C 105 173.500 173.500 173.383 0.117 18989 14411 1 20 . 1 1 105 105 THR CA C 105 61.500 61.500 62.262 -0.762 18989 14412 1 20 . 1 1 105 105 THR CB C 105 71.100 71.100 69.482 1.618 18989 14413 1 20 . 1 1 106 106 GLU N N 106 126.900 126.900 129.648 -2.748 18989 14414 1 20 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.944 0.416 18989 14415 1 20 . 1 1 106 106 GLU C C 106 173.400 173.400 174.724 -1.324 18989 14416 1 20 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.981 -0.581 18989 14417 1 20 . 1 1 106 106 GLU CB C 106 32.000 32.000 32.777 -0.777 18989 14418 1 20 . 1 1 107 107 SER N N 107 120.800 120.800 120.996 -0.196 18989 14419 1 20 . 1 1 107 107 SER HA H 107 5.470 5.470 5.107 0.363 18989 14420 1 20 . 1 1 107 107 SER C C 107 171.600 171.600 173.210 -1.610 18989 14421 1 20 . 1 1 107 107 SER CA C 107 56.000 56.000 56.695 -0.695 18989 14422 1 20 . 1 1 107 107 SER CB C 107 66.700 66.700 64.683 2.017 18989 14423 1 20 . 1 1 108 108 TRP N N 108 124.600 124.600 128.419 -3.819 18989 14424 1 20 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.798 -0.118 18989 14425 1 20 . 1 1 108 108 TRP C C 108 175.000 175.000 174.747 0.253 18989 14426 1 20 . 1 1 108 108 TRP CA C 108 55.900 55.900 56.654 -0.754 18989 14427 1 20 . 1 1 108 108 TRP CB C 108 33.600 33.600 31.199 2.401 18989 14428 1 20 . 1 1 109 109 GLU N N 109 127.200 127.200 129.835 -2.635 18989 14429 1 20 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.322 0.178 18989 14430 1 20 . 1 1 109 109 GLU C C 109 172.300 172.300 173.774 -1.474 18989 14431 1 20 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.558 -0.458 18989 14432 1 20 . 1 1 109 109 GLU CB C 109 32.900 32.900 32.610 0.290 18989 14433 1 20 . 1 1 110 110 PHE N N 110 129.400 129.400 129.330 0.070 18989 14434 1 20 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.626 0.064 18989 14435 1 20 . 1 1 110 110 PHE C C 110 177.100 177.100 174.113 2.987 18989 14436 1 20 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.005 -2.006 18989 14437 1 20 . 1 1 110 110 PHE CB C 110 38.500 38.500 40.873 -2.373 18989 14438 1 20 . 1 1 111 111 THR N N 111 117.800 117.800 125.330 -7.530 18989 14439 1 20 . 1 1 111 111 THR HA H 111 4.510 4.510 4.577 -0.067 18989 14440 1 20 . 1 1 111 111 THR CA C 111 61.800 61.800 60.678 1.122 18989 14441 1 20 . 1 1 111 111 THR CB C 111 66.100 66.100 68.339 -2.239 18989 14442 1 20 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.525 -0.535 18989 14443 1 20 . 1 1 113 113 LYS C C 113 179.200 179.200 177.756 1.444 18989 14444 1 20 . 1 1 114 114 GLY N N 114 110.100 110.100 107.978 2.122 18989 14445 1 20 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.820 0.280 18989 14446 1 20 . 1 1 115 115 GLN N N 115 121.100 121.100 120.403 0.697 18989 14447 1 20 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.332 -0.322 18989 14448 1 20 . 1 1 115 115 GLN C C 115 178.000 178.000 177.671 0.329 18989 14449 1 20 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.588 1.312 18989 14450 1 20 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.842 0.558 18989 14451 1 20 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.142 -0.002 18989 14452 1 20 . 1 1 116 116 ARG C C 116 177.900 177.900 178.389 -0.489 18989 14453 1 20 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.837 -0.338 18989 14454 1 20 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.879 0.121 18989 14455 1 20 . 1 1 117 117 PHE N N 117 120.800 120.800 119.048 1.752 18989 14456 1 20 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.290 0.180 18989 14457 1 20 . 1 1 117 117 PHE C C 117 178.100 178.100 177.141 0.959 18989 14458 1 20 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.401 -0.201 18989 14459 1 20 . 1 1 117 117 PHE CB C 117 39.000 39.000 39.053 -0.053 18989 14460 1 20 . 1 1 118 118 PHE N N 118 119.600 119.600 119.011 0.589 18989 14461 1 20 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.130 0.100 18989 14462 1 20 . 1 1 118 118 PHE C C 118 178.500 178.500 177.277 1.223 18989 14463 1 20 . 1 1 118 118 PHE CA C 118 62.300 62.300 60.636 1.664 18989 14464 1 20 . 1 1 118 118 PHE CB C 118 39.200 39.200 39.143 0.057 18989 14465 1 20 . 1 1 119 119 HIS N N 119 120.900 120.900 120.472 0.428 18989 14466 1 20 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.232 0.388 18989 14467 1 20 . 1 1 119 119 HIS C C 119 178.500 178.500 176.611 1.889 18989 14468 1 20 . 1 1 119 119 HIS CA C 119 59.900 59.900 60.222 -0.322 18989 14469 1 20 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.098 -0.397 18989 14470 1 20 . 1 1 120 120 ASP N N 120 120.400 120.400 118.182 2.218 18989 14471 1 20 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.445 -0.115 18989 14472 1 20 . 1 1 120 120 ASP C C 120 177.500 177.500 177.725 -0.225 18989 14473 1 20 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.023 1.177 18989 14474 1 20 . 1 1 120 120 ASP CB C 120 40.500 40.500 41.244 -0.744 18989 14475 1 20 . 1 1 121 121 LYS N N 121 118.100 118.100 118.905 -0.805 18989 14476 1 20 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.797 0.013 18989 14477 1 20 . 1 1 121 121 LYS C C 121 178.200 178.200 176.785 1.415 18989 14478 1 20 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.868 0.232 18989 14479 1 20 . 1 1 121 121 LYS CB C 121 33.200 33.200 33.062 0.138 18989 14480 1 20 . 1 1 122 122 PHE N N 122 112.800 112.800 118.261 -5.461 18989 14481 1 20 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.554 0.126 18989 14482 1 20 . 1 1 122 122 PHE C C 122 177.600 177.600 175.611 1.989 18989 14483 1 20 . 1 1 122 122 PHE CA C 122 58.100 58.100 56.207 1.893 18989 14484 1 20 . 1 1 122 122 PHE CB C 122 40.000 40.000 39.505 0.494 18989 14485 1 20 . 1 1 123 123 GLY N N 123 112.200 112.200 110.726 1.474 18989 14486 1 20 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.865 0.435 18989 14487 1 20 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.358 0.222 18989 14488 1 20 . 1 1 124 124 ASP C C 124 177.700 177.700 178.487 -0.787 18989 14489 1 20 . 1 1 124 124 ASP CA C 124 56.800 56.800 57.682 -0.882 18989 14490 1 20 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.203 -0.103 18989 14491 1 20 . 1 1 125 125 LYS N N 125 118.400 118.400 117.887 0.513 18989 14492 1 20 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.342 0.328 18989 14493 1 20 . 1 1 125 125 LYS C C 125 177.100 177.100 178.394 -1.294 18989 14494 1 20 . 1 1 125 125 LYS CA C 125 56.000 56.000 58.476 -2.476 18989 14495 1 20 . 1 1 125 125 LYS CB C 125 32.300 32.300 32.201 0.099 18989 14496 1 20 . 1 1 126 126 SER N N 126 116.600 116.600 116.273 0.327 18989 14497 1 20 . 1 1 126 126 SER HA H 126 3.830 3.830 4.516 -0.686 18989 14498 1 20 . 1 1 126 126 SER C C 126 175.700 175.700 176.568 -0.868 18989 14499 1 20 . 1 1 126 126 SER CA C 126 62.700 62.700 61.093 1.607 18989 14500 1 20 . 1 1 126 126 SER CB C 126 63.000 63.000 62.484 0.516 18989 14501 1 20 . 1 1 127 127 ILE N N 127 122.300 122.300 120.723 1.577 18989 14502 1 20 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.727 0.083 18989 14503 1 20 . 1 1 127 127 ILE C C 127 178.500 178.500 177.695 0.805 18989 14504 1 20 . 1 1 127 127 ILE CA C 127 65.000 65.000 65.323 -0.323 18989 14505 1 20 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.771 -0.971 18989 14506 1 20 . 1 1 128 128 GLU N N 128 120.500 120.500 118.375 2.125 18989 14507 1 20 . 1 1 128 128 GLU HA H 128 4.100 4.100 4.393 -0.293 18989 14508 1 20 . 1 1 128 128 GLU C C 128 179.400 179.400 179.341 0.059 18989 14509 1 20 . 1 1 128 128 GLU CA C 128 59.300 59.300 58.369 0.931 18989 14510 1 20 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.564 0.136 18989 14511 1 20 . 1 1 129 129 GLU N N 129 118.800 118.800 120.808 -2.008 18989 14512 1 20 . 1 1 129 129 GLU HA H 129 3.910 3.910 4.227 -0.317 18989 14513 1 20 . 1 1 129 129 GLU C C 129 179.900 179.900 178.271 1.629 18989 14514 1 20 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.781 0.219 18989 14515 1 20 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.144 0.056 18989 14516 1 20 . 1 1 130 130 ILE N N 130 122.700 122.700 120.724 1.976 18989 14517 1 20 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.646 -0.166 18989 14518 1 20 . 1 1 130 130 ILE C C 130 177.600 177.600 177.580 0.020 18989 14519 1 20 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.755 1.645 18989 14520 1 20 . 1 1 130 130 ILE CB C 130 38.300 38.300 38.028 0.272 18989 14521 1 20 . 1 1 131 131 GLU N N 131 120.100 120.100 119.590 0.510 18989 14522 1 20 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.953 0.437 18989 14523 1 20 . 1 1 131 131 GLU C C 131 178.800 178.800 178.807 -0.007 18989 14524 1 20 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.885 -1.285 18989 14525 1 20 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.382 -0.482 18989 14526 1 20 . 1 1 132 132 LYS N N 132 118.300 118.300 118.742 -0.442 18989 14527 1 20 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.995 -0.035 18989 14528 1 20 . 1 1 132 132 LYS C C 132 180.400 180.400 179.605 0.795 18989 14529 1 20 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.234 1.066 18989 14530 1 20 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.311 0.389 18989 14531 1 20 . 1 1 133 133 ARG N N 133 118.400 118.400 118.607 -0.207 18989 14532 1 20 . 1 1 133 133 ARG HA H 133 4.060 4.060 4.048 0.012 18989 14533 1 20 . 1 1 133 133 ARG C C 133 178.600 178.600 178.544 0.056 18989 14534 1 20 . 1 1 133 133 ARG CA C 133 58.000 58.000 59.228 -1.228 18989 14535 1 20 . 1 1 133 133 ARG CB C 133 29.400 29.400 30.289 -0.889 18989 14536 1 20 . 1 1 134 134 ARG N N 134 122.500 122.500 120.356 2.144 18989 14537 1 20 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.045 -0.435 18989 14538 1 20 . 1 1 134 134 ARG C C 134 177.600 177.600 178.476 -0.876 18989 14539 1 20 . 1 1 134 134 ARG CA C 134 59.400 59.400 58.922 0.478 18989 14540 1 20 . 1 1 134 134 ARG CB C 134 31.000 31.000 29.784 1.216 18989 14541 1 20 . 1 1 135 135 LEU N N 135 118.200 118.200 119.612 -1.412 18989 14542 1 20 . 1 1 135 135 LEU HA H 135 3.810 3.810 4.040 -0.230 18989 14543 1 20 . 1 1 135 135 LEU C C 135 179.700 179.700 178.585 1.115 18989 14544 1 20 . 1 1 135 135 LEU CA C 135 57.700 57.700 56.824 0.876 18989 14545 1 20 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.538 -0.138 18989 14546 1 20 . 1 1 136 136 ALA N N 136 120.400 120.400 121.538 -1.138 18989 14547 1 20 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.884 0.146 18989 14548 1 20 . 1 1 136 136 ALA C C 136 180.500 180.500 179.114 1.386 18989 14549 1 20 . 1 1 136 136 ALA CA C 136 54.700 54.700 55.120 -0.420 18989 14550 1 20 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.738 0.362 18989 14551 1 20 . 1 1 137 137 ALA N N 137 123.200 123.200 120.370 2.830 18989 14552 1 20 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.743 0.157 18989 14553 1 20 . 1 1 137 137 ALA C C 137 178.700 178.700 179.231 -0.531 18989 14554 1 20 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.293 1.007 18989 14555 1 20 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.902 -2.103 18989 14556 1 20 . 1 1 138 138 ILE N N 138 115.400 115.400 116.946 -1.546 18989 14557 1 20 . 1 1 138 138 ILE HA H 138 2.830 2.830 1.846 0.984 18989 14558 1 20 . 1 1 138 138 ILE C C 138 177.800 177.800 177.599 0.201 18989 14559 1 20 . 1 1 138 138 ILE CA C 138 64.200 64.200 63.832 0.368 18989 14560 1 20 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.627 -0.227 18989 14561 1 20 . 1 1 139 139 THR N N 139 109.500 109.500 113.801 -4.301 18989 14562 1 20 . 1 1 139 139 THR HA H 139 4.150 4.150 4.264 -0.114 18989 14563 1 20 . 1 1 139 139 THR C C 139 177.300 177.300 176.489 0.811 18989 14564 1 20 . 1 1 139 139 THR CA C 139 64.000 64.000 65.504 -1.504 18989 14565 1 20 . 1 1 139 139 THR CB C 139 69.600 69.600 69.235 0.365 18989 14566 1 20 . 1 1 140 140 GLY N N 140 110.800 110.800 110.565 0.235 18989 14567 1 20 . 1 1 140 140 GLY C C 140 176.700 176.700 175.377 1.323 18989 14568 1 20 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.584 0.216 18989 14569 1 20 . 1 1 141 141 ILE N N 141 122.700 122.700 122.462 0.238 18989 14570 1 20 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.021 0.139 18989 14571 1 20 . 1 1 141 141 ILE CA C 141 68.300 68.300 66.672 1.628 18989 14572 1 20 . 1 1 141 141 ILE CB C 141 36.300 36.300 36.099 0.201 18989 14573 1 20 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.599 -0.249 18989 14574 1 20 . 1 1 142 142 PRO C C 142 179.300 179.300 179.014 0.286 18989 14575 1 20 . 1 1 142 142 PRO CA C 142 66.700 66.700 66.112 0.588 18989 14576 1 20 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.144 0.056 18989 14577 1 20 . 1 1 143 143 GLU N N 143 113.900 113.900 119.239 -5.339 18989 14578 1 20 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.120 0.050 18989 14579 1 20 . 1 1 143 143 GLU C C 143 179.600 179.600 178.685 0.915 18989 14580 1 20 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.601 -0.301 18989 14581 1 20 . 1 1 143 143 GLU CB C 143 30.000 30.000 29.279 0.721 18989 14582 1 20 . 1 1 144 144 THR N N 144 119.900 119.900 117.895 2.005 18989 14583 1 20 . 1 1 144 144 THR HA H 144 4.290 4.290 4.063 0.227 18989 14584 1 20 . 1 1 144 144 THR C C 144 175.800 175.800 176.785 -0.985 18989 14585 1 20 . 1 1 144 144 THR CA C 144 67.000 67.000 67.127 -0.127 18989 14586 1 20 . 1 1 144 144 THR CB C 144 69.500 69.500 68.555 0.945 18989 14587 1 20 . 1 1 145 145 LEU N N 145 120.300 120.300 121.417 -1.117 18989 14588 1 20 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.032 -0.122 18989 14589 1 20 . 1 1 145 145 LEU C C 145 178.700 178.700 178.722 -0.022 18989 14590 1 20 . 1 1 145 145 LEU CA C 145 58.600 58.600 58.122 0.478 18989 14591 1 20 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.988 -0.488 18989 14592 1 20 . 1 1 146 146 VAL N N 146 117.600 117.600 118.763 -1.163 18989 14593 1 20 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.709 -0.029 18989 14594 1 20 . 1 1 146 146 VAL C C 146 177.700 177.700 178.046 -0.346 18989 14595 1 20 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.130 -0.030 18989 14596 1 20 . 1 1 146 146 VAL CB C 146 32.000 32.000 31.600 0.400 18989 14597 1 20 . 1 1 147 147 ALA N N 147 123.600 123.600 123.139 0.461 18989 14598 1 20 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.060 0.170 18989 14599 1 20 . 1 1 147 147 ALA C C 147 180.400 180.400 179.701 0.699 18989 14600 1 20 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.342 0.258 18989 14601 1 20 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.109 0.691 18989 14602 1 20 . 1 1 148 148 ILE N N 148 119.600 119.600 119.588 0.012 18989 14603 1 20 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.674 -0.364 18989 14604 1 20 . 1 1 148 148 ILE C C 148 177.100 177.100 178.046 -0.946 18989 14605 1 20 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.491 0.809 18989 14606 1 20 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.858 0.342 18989 14607 1 20 . 1 1 149 149 GLN N N 149 119.200 119.200 119.153 0.047 18989 14608 1 20 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.947 -0.277 18989 14609 1 20 . 1 1 149 149 GLN C C 149 178.000 178.000 178.198 -0.198 18989 14610 1 20 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.432 0.668 18989 14611 1 20 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.575 1.025 18989 14612 1 20 . 1 1 150 150 ARG N N 150 120.500 120.500 119.805 0.695 18989 14613 1 20 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.252 -0.202 18989 14614 1 20 . 1 1 150 150 ARG C C 150 179.000 179.000 178.789 0.211 18989 14615 1 20 . 1 1 150 150 ARG CA C 150 59.300 59.300 59.373 -0.073 18989 14616 1 20 . 1 1 150 150 ARG CB C 150 30.000 30.000 30.200 -0.200 18989 14617 1 20 . 1 1 151 151 ILE N N 151 119.100 119.100 120.355 -1.255 18989 14618 1 20 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.830 -0.180 18989 14619 1 20 . 1 1 151 151 ILE C C 151 178.500 178.500 177.645 0.855 18989 14620 1 20 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.326 0.974 18989 14621 1 20 . 1 1 151 151 ILE CB C 151 39.000 39.000 38.068 0.932 18989 14622 1 20 . 1 1 152 152 LEU N N 152 117.100 117.100 120.590 -3.490 18989 14623 1 20 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.854 0.226 18989 14624 1 20 . 1 1 152 152 LEU C C 152 178.700 178.700 178.861 -0.161 18989 14625 1 20 . 1 1 152 152 LEU CA C 152 57.000 57.000 58.241 -1.241 18989 14626 1 20 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.714 1.186 18989 14627 1 20 . 1 1 153 153 GLU N N 153 117.800 117.800 119.226 -1.426 18989 14628 1 20 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.896 0.274 18989 14629 1 20 . 1 1 153 153 GLU C C 153 178.300 178.300 179.212 -0.912 18989 14630 1 20 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.572 -0.872 18989 14631 1 20 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.556 -0.256 18989 14632 1 20 . 1 1 154 154 VAL N N 154 119.500 119.500 119.032 0.468 18989 14633 1 20 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.644 0.356 18989 14634 1 20 . 1 1 154 154 VAL C C 154 177.500 177.500 178.647 -1.147 18989 14635 1 20 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.129 -1.429 18989 14636 1 20 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.143 1.057 18989 14637 1 20 . 1 1 155 155 GLU N N 155 121.300 121.300 120.322 0.978 18989 14638 1 20 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.323 -0.143 18989 14639 1 20 . 1 1 155 155 GLU C C 155 177.600 177.600 179.224 -1.624 18989 14640 1 20 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.732 -0.732 18989 14641 1 20 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.478 0.222 18989 14642 1 20 . 1 1 156 156 LEU N N 156 120.800 120.800 119.718 1.082 18989 14643 1 20 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.121 0.109 18989 14644 1 20 . 1 1 156 156 LEU C C 156 178.000 178.000 178.489 -0.489 18989 14645 1 20 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.070 -0.870 18989 14646 1 20 . 1 1 156 156 LEU CB C 156 42.300 42.300 41.777 0.523 18989 14647 1 20 . 1 1 157 157 GLU N N 157 119.700 119.700 116.298 3.402 18989 14648 1 20 . 1 1 157 157 GLU HA H 157 4.130 4.130 3.901 0.229 18989 14649 1 20 . 1 1 157 157 GLU C C 157 177.000 177.000 177.313 -0.313 18989 14650 1 20 . 1 1 157 157 GLU CA C 157 57.400 57.400 57.869 -0.469 18989 14651 1 20 . 1 1 157 157 GLU CB C 157 29.800 29.800 29.158 0.642 18989 14652 1 20 . 1 1 158 158 HIS N N 158 117.700 117.700 118.420 -0.720 18989 14653 1 20 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.529 0.101 18989 14654 1 20 . 1 1 158 158 HIS C C 158 173.900 173.900 174.283 -0.383 18989 14655 1 20 . 1 1 158 158 HIS CA C 158 56.000 56.000 55.289 0.711 18989 14656 1 20 . 1 1 158 158 HIS CB C 158 30.000 30.000 27.733 2.267 18989 14657 1 20 . 1 1 159 159 HIS N N 159 125.200 125.200 118.212 6.988 18989 14658 1 20 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.329 0.111 18989 14659 1 20 . 1 1 159 159 HIS CA C 159 57.300 57.300 57.059 0.241 18989 14660 1 20 . 1 1 159 159 HIS CB C 159 28.800 28.800 28.418 0.383 18989 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 142 3.266 0.213 3.271 18989 2 1 1 "Average Difference" HA 157 0.451 -0.070 0.446 18989 3 1 1 "Average Difference" C 142 1.150 0.049 1.153 18989 4 1 1 "Average Difference" CA 156 1.147 -0.171 1.138 18989 5 1 1 "Average Difference" CB 146 1.464 -0.340 1.429 18989 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18989 7 1 2 "Average Difference" N 142 3.496 0.767 3.423 18989 8 1 2 "Average Difference" HA 157 0.443 -0.080 0.438 18989 9 1 2 "Average Difference" C 142 1.095 0.152 1.088 18989 10 1 2 "Average Difference" CA 156 1.097 -0.148 1.090 18989 11 1 2 "Average Difference" CB 146 1.535 -0.508 1.453 18989 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18989 13 1 3 "Average Difference" N 142 3.292 0.676 3.233 18989 14 1 3 "Average Difference" HA 157 0.421 -0.060 0.418 18989 15 1 3 "Average Difference" C 142 1.166 0.161 1.159 18989 16 1 3 "Average Difference" CA 156 1.189 -0.138 1.185 18989 17 1 3 "Average Difference" CB 146 1.394 -0.364 1.351 18989 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18989 19 1 4 "Average Difference" N 142 3.135 0.479 3.110 18989 20 1 4 "Average Difference" HA 157 0.453 -0.073 0.449 18989 21 1 4 "Average Difference" C 142 1.214 0.119 1.212 18989 22 1 4 "Average Difference" CA 156 1.173 -0.208 1.158 18989 23 1 4 "Average Difference" CB 146 1.413 -0.405 1.358 18989 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18989 25 1 5 "Average Difference" N 142 3.173 0.252 3.174 18989 26 1 5 "Average Difference" HA 157 0.428 -0.060 0.425 18989 27 1 5 "Average Difference" C 142 1.109 0.064 1.111 18989 28 1 5 "Average Difference" CA 156 1.137 -0.216 1.119 18989 29 1 5 "Average Difference" CB 146 1.359 -0.331 1.322 18989 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18989 31 1 6 "Average Difference" N 142 3.485 0.191 3.492 18989 32 1 6 "Average Difference" HA 157 0.448 -0.087 0.441 18989 33 1 6 "Average Difference" C 142 1.144 0.112 1.142 18989 34 1 6 "Average Difference" CA 156 1.192 -0.095 1.192 18989 35 1 6 "Average Difference" CB 146 1.381 -0.397 1.327 18989 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18989 37 1 7 "Average Difference" N 142 3.045 0.209 3.049 18989 38 1 7 "Average Difference" HA 157 0.430 -0.062 0.427 18989 39 1 7 "Average Difference" C 142 1.096 0.126 1.093 18989 40 1 7 "Average Difference" CA 156 1.197 -0.119 1.195 18989 41 1 7 "Average Difference" CB 146 1.339 -0.300 1.310 18989 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18989 43 1 8 "Average Difference" N 142 3.273 0.430 3.256 18989 44 1 8 "Average Difference" HA 157 0.428 -0.118 0.413 18989 45 1 8 "Average Difference" C 142 1.165 0.130 1.162 18989 46 1 8 "Average Difference" CA 156 1.157 -0.107 1.156 18989 47 1 8 "Average Difference" CB 146 1.429 -0.472 1.353 18989 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18989 49 1 9 "Average Difference" N 142 3.164 0.576 3.122 18989 50 1 9 "Average Difference" HA 157 0.429 -0.099 0.419 18989 51 1 9 "Average Difference" C 142 1.146 0.152 1.140 18989 52 1 9 "Average Difference" CA 156 1.279 -0.149 1.274 18989 53 1 9 "Average Difference" CB 146 1.530 -0.527 1.441 18989 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18989 55 1 10 "Average Difference" N 142 3.088 0.101 3.097 18989 56 1 10 "Average Difference" HA 157 0.419 -0.088 0.411 18989 57 1 10 "Average Difference" C 142 1.074 0.094 1.073 18989 58 1 10 "Average Difference" CA 156 1.269 -0.133 1.266 18989 59 1 10 "Average Difference" CB 146 1.430 -0.373 1.385 18989 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18989 61 1 11 "Average Difference" N 142 3.221 0.281 3.220 18989 62 1 11 "Average Difference" HA 157 0.413 -0.069 0.409 18989 63 1 11 "Average Difference" C 142 1.112 0.186 1.100 18989 64 1 11 "Average Difference" CA 156 1.236 -0.156 1.230 18989 65 1 11 "Average Difference" CB 146 1.444 -0.409 1.390 18989 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 18989 67 1 12 "Average Difference" N 142 3.392 0.090 3.403 18989 68 1 12 "Average Difference" HA 157 0.410 -0.067 0.406 18989 69 1 12 "Average Difference" C 142 1.103 0.132 1.099 18989 70 1 12 "Average Difference" CA 156 1.213 -0.106 1.213 18989 71 1 12 "Average Difference" CB 146 1.406 -0.462 1.333 18989 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 18989 73 1 13 "Average Difference" N 142 3.199 0.541 3.164 18989 74 1 13 "Average Difference" HA 157 0.449 -0.095 0.440 18989 75 1 13 "Average Difference" C 142 1.089 0.151 1.082 18989 76 1 13 "Average Difference" CA 156 1.199 -0.130 1.195 18989 77 1 13 "Average Difference" CB 146 1.429 -0.522 1.335 18989 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 18989 79 1 14 "Average Difference" N 142 3.297 0.280 3.296 18989 80 1 14 "Average Difference" HA 157 0.416 -0.070 0.411 18989 81 1 14 "Average Difference" C 142 1.150 0.126 1.147 18989 82 1 14 "Average Difference" CA 156 1.222 -0.143 1.217 18989 83 1 14 "Average Difference" CB 146 1.249 -0.409 1.184 18989 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 18989 85 1 15 "Average Difference" N 142 3.257 0.365 3.248 18989 86 1 15 "Average Difference" HA 157 0.460 -0.102 0.450 18989 87 1 15 "Average Difference" C 142 1.141 0.120 1.138 18989 88 1 15 "Average Difference" CA 156 1.270 -0.110 1.269 18989 89 1 15 "Average Difference" CB 146 1.537 -0.496 1.460 18989 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 18989 91 1 16 "Average Difference" N 142 3.216 0.507 3.187 18989 92 1 16 "Average Difference" HA 157 0.420 -0.057 0.418 18989 93 1 16 "Average Difference" C 142 1.137 0.161 1.130 18989 94 1 16 "Average Difference" CA 156 1.146 -0.138 1.142 18989 95 1 16 "Average Difference" CB 146 1.447 -0.307 1.419 18989 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 18989 97 1 17 "Average Difference" N 142 3.305 0.223 3.309 18989 98 1 17 "Average Difference" HA 157 0.440 -0.088 0.433 18989 99 1 17 "Average Difference" C 142 1.143 0.146 1.138 18989 100 1 17 "Average Difference" CA 156 1.228 -0.071 1.230 18989 101 1 17 "Average Difference" CB 146 1.409 -0.410 1.353 18989 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 18989 103 1 18 "Average Difference" N 142 3.297 0.200 3.302 18989 104 1 18 "Average Difference" HA 157 0.417 -0.078 0.411 18989 105 1 18 "Average Difference" C 142 1.129 0.153 1.122 18989 106 1 18 "Average Difference" CA 156 1.372 -0.026 1.376 18989 107 1 18 "Average Difference" CB 146 1.339 -0.402 1.282 18989 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 18989 109 1 19 "Average Difference" N 142 3.103 0.630 3.049 18989 110 1 19 "Average Difference" HA 157 0.420 -0.083 0.413 18989 111 1 19 "Average Difference" C 142 1.116 0.174 1.106 18989 112 1 19 "Average Difference" CA 156 1.259 -0.131 1.257 18989 113 1 19 "Average Difference" CB 146 1.460 -0.529 1.366 18989 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 18989 115 1 20 "Average Difference" N 142 3.372 0.142 3.381 18989 116 1 20 "Average Difference" HA 157 0.435 -0.099 0.425 18989 117 1 20 "Average Difference" C 142 1.120 0.160 1.113 18989 118 1 20 "Average Difference" CA 156 1.184 -0.031 1.188 18989 119 1 20 "Average Difference" CB 146 1.489 -0.366 1.448 18989 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 18989 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18989 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO HA H 2 4.400 4.400 4.486 -0.086 18989 2 1 . 1 1 2 2 PRO CA C 2 62.400 62.400 63.035 -0.635 18989 3 1 . 1 1 2 2 PRO CB C 2 32.800 32.800 31.587 1.213 18989 4 1 . 1 1 3 3 LYS HA H 3 4.480 4.480 4.246 0.234 18989 5 1 . 1 1 3 3 LYS C C 3 176.600 176.600 176.128 0.472 18989 6 1 . 1 1 3 3 LYS CA C 3 55.900 55.900 56.461 -0.561 18989 7 1 . 1 1 3 3 LYS CB C 3 34.200 34.200 32.979 1.220 18989 8 1 . 1 1 4 4 SER N N 4 117.800 117.800 115.294 2.506 18989 9 1 . 1 1 4 4 SER HA H 4 4.220 4.220 4.414 -0.194 18989 10 1 . 1 1 4 4 SER C C 4 174.100 174.100 174.030 0.070 18989 11 1 . 1 1 4 4 SER CA C 4 59.700 59.700 58.565 1.135 18989 12 1 . 1 1 4 4 SER CB C 4 63.700 63.700 63.758 -0.058 18989 13 1 . 1 1 5 5 LEU N N 5 124.700 124.700 124.046 0.654 18989 14 1 . 1 1 5 5 LEU HA H 5 4.800 4.800 4.532 0.268 18989 15 1 . 1 1 5 5 LEU C C 5 175.500 175.500 175.061 0.439 18989 16 1 . 1 1 5 5 LEU CA C 5 54.000 54.000 54.473 -0.473 18989 17 1 . 1 1 5 5 LEU CB C 5 43.200 43.200 41.155 2.045 18989 18 1 . 1 1 6 6 THR N N 6 111.200 111.200 115.276 -4.076 18989 19 1 . 1 1 6 6 THR HA H 6 5.620 5.620 4.821 0.799 18989 20 1 . 1 1 6 6 THR C C 6 174.500 174.500 173.188 1.312 18989 21 1 . 1 1 6 6 THR CA C 6 59.700 59.700 60.766 -1.066 18989 22 1 . 1 1 6 6 THR CB C 6 73.000 73.000 71.070 1.930 18989 23 1 . 1 1 7 7 PHE N N 7 120.700 120.700 124.930 -4.230 18989 24 1 . 1 1 7 7 PHE HA H 7 4.750 4.750 4.905 -0.155 18989 25 1 . 1 1 7 7 PHE C C 7 172.100 172.100 173.142 -1.042 18989 26 1 . 1 1 7 7 PHE CA C 7 59.300 59.300 57.124 2.176 18989 27 1 . 1 1 7 7 PHE CB C 7 43.500 43.500 43.314 0.186 18989 28 1 . 1 1 8 8 GLU N N 8 122.100 122.100 121.808 0.292 18989 29 1 . 1 1 8 8 GLU HA H 8 5.380 5.380 4.989 0.391 18989 30 1 . 1 1 8 8 GLU C C 8 172.500 172.500 174.194 -1.694 18989 31 1 . 1 1 8 8 GLU CA C 8 54.500 54.500 54.287 0.213 18989 32 1 . 1 1 8 8 GLU CB C 8 33.500 33.500 33.305 0.196 18989 33 1 . 1 1 9 9 ASP N N 9 117.400 117.400 119.866 -2.466 18989 34 1 . 1 1 9 9 ASP HA H 9 4.820 4.820 4.794 0.026 18989 35 1 . 1 1 9 9 ASP C C 9 173.500 173.500 173.875 -0.375 18989 36 1 . 1 1 9 9 ASP CA C 9 53.100 53.100 53.315 -0.215 18989 37 1 . 1 1 9 9 ASP CB C 9 45.100 45.100 44.080 1.020 18989 38 1 . 1 1 10 10 SER N N 10 113.600 113.600 116.851 -3.251 18989 39 1 . 1 1 10 10 SER HA H 10 5.990 5.990 5.649 0.341 18989 40 1 . 1 1 10 10 SER C C 10 172.600 172.600 173.173 -0.573 18989 41 1 . 1 1 10 10 SER CA C 10 57.300 57.300 56.919 0.381 18989 42 1 . 1 1 10 10 SER CB C 10 68.100 68.100 66.188 1.912 18989 43 1 . 1 1 11 11 ILE N N 11 122.700 122.700 122.349 0.351 18989 44 1 . 1 1 11 11 ILE HA H 11 4.520 4.520 4.414 0.106 18989 45 1 . 1 1 11 11 ILE C C 11 171.300 171.300 173.441 -2.141 18989 46 1 . 1 1 11 11 ILE CA C 11 61.000 61.000 60.660 0.340 18989 47 1 . 1 1 11 11 ILE CB C 11 43.400 43.400 42.074 1.326 18989 48 1 . 1 1 12 12 ASN N N 12 124.600 124.600 125.844 -1.244 18989 49 1 . 1 1 12 12 ASN HA H 12 5.280 5.280 4.927 0.353 18989 50 1 . 1 1 12 12 ASN C C 12 174.700 174.700 174.781 -0.081 18989 51 1 . 1 1 12 12 ASN CA C 12 52.300 52.300 52.695 -0.395 18989 52 1 . 1 1 12 12 ASN CB C 12 38.600 38.600 38.313 0.287 18989 53 1 . 1 1 13 13 ILE N N 13 122.900 122.900 124.827 -1.927 18989 54 1 . 1 1 13 13 ILE HA H 13 4.450 4.450 4.270 0.180 18989 55 1 . 1 1 13 13 ILE C C 13 175.300 175.300 175.633 -0.333 18989 56 1 . 1 1 13 13 ILE CA C 13 60.300 60.300 60.555 -0.255 18989 57 1 . 1 1 13 13 ILE CB C 13 41.600 41.600 39.709 1.891 18989 58 1 . 1 1 14 14 ALA N N 14 136.600 136.600 129.759 6.841 18989 59 1 . 1 1 14 14 ALA HA H 14 4.700 4.700 4.450 0.250 18989 60 1 . 1 1 14 14 ALA C C 14 175.100 175.100 176.314 -1.214 18989 61 1 . 1 1 14 14 ALA CA C 14 51.000 51.000 51.862 -0.862 18989 62 1 . 1 1 14 14 ALA CB C 14 16.300 16.300 18.123 -1.823 18989 63 1 . 1 1 15 15 ALA N N 15 122.100 122.100 123.125 -1.025 18989 64 1 . 1 1 15 15 ALA HA H 15 4.760 4.760 4.708 0.052 18989 65 1 . 1 1 15 15 ALA CA C 15 50.000 50.000 49.688 0.312 18989 66 1 . 1 1 15 15 ALA CB C 15 21.100 21.100 20.042 1.058 18989 67 1 . 1 1 16 16 PRO HA H 16 4.610 4.610 4.509 0.101 18989 68 1 . 1 1 16 16 PRO C C 16 179.200 179.200 177.538 1.662 18989 69 1 . 1 1 16 16 PRO CA C 16 62.100 62.100 62.703 -0.603 18989 70 1 . 1 1 16 16 PRO CB C 16 33.100 33.100 32.796 0.304 18989 71 1 . 1 1 17 17 ILE N N 17 124.400 124.400 121.963 2.437 18989 72 1 . 1 1 17 17 ILE HA H 17 3.990 3.990 3.733 0.257 18989 73 1 . 1 1 17 17 ILE C C 17 175.800 175.800 176.833 -1.033 18989 74 1 . 1 1 17 17 ILE CA C 17 65.700 65.700 64.522 1.178 18989 75 1 . 1 1 17 17 ILE CB C 17 38.700 38.700 38.229 0.471 18989 76 1 . 1 1 18 18 ASN N N 18 117.200 117.200 117.311 -0.111 18989 77 1 . 1 1 18 18 ASN HA H 18 4.690 4.690 4.367 0.323 18989 78 1 . 1 1 18 18 ASN C C 18 178.700 178.700 177.542 1.158 18989 79 1 . 1 1 18 18 ASN CA C 18 55.800 55.800 56.477 -0.677 18989 80 1 . 1 1 18 18 ASN CB C 18 37.100 37.100 37.723 -0.623 18989 81 1 . 1 1 19 19 GLN N N 19 120.300 120.300 119.326 0.974 18989 82 1 . 1 1 19 19 GLN HA H 19 4.120 4.120 4.160 -0.040 18989 83 1 . 1 1 19 19 GLN C C 19 178.500 178.500 178.287 0.213 18989 84 1 . 1 1 19 19 GLN CA C 19 58.300 58.300 58.434 -0.134 18989 85 1 . 1 1 19 19 GLN CB C 19 28.300 28.300 28.624 -0.324 18989 86 1 . 1 1 20 20 VAL N N 20 120.300 120.300 120.633 -0.333 18989 87 1 . 1 1 20 20 VAL HA H 20 3.450 3.450 3.668 -0.218 18989 88 1 . 1 1 20 20 VAL C C 20 177.500 177.500 177.914 -0.414 18989 89 1 . 1 1 20 20 VAL CA C 20 66.200 66.200 66.659 -0.459 18989 90 1 . 1 1 20 20 VAL CB C 20 30.900 30.900 31.543 -0.643 18989 91 1 . 1 1 21 21 TYR N N 21 118.800 118.800 120.883 -2.083 18989 92 1 . 1 1 21 21 TYR HA H 21 3.580 3.580 4.115 -0.535 18989 93 1 . 1 1 21 21 TYR C C 21 177.800 177.800 177.003 0.797 18989 94 1 . 1 1 21 21 TYR CA C 21 62.900 62.900 61.472 1.428 18989 95 1 . 1 1 21 21 TYR CB C 21 38.400 38.400 38.313 0.087 18989 96 1 . 1 1 22 22 ALA N N 22 120.400 120.400 121.125 -0.725 18989 97 1 . 1 1 22 22 ALA HA H 22 3.760 3.760 3.974 -0.214 18989 98 1 . 1 1 22 22 ALA C C 22 178.000 178.000 178.704 -0.704 18989 99 1 . 1 1 22 22 ALA CA C 22 54.700 54.700 54.500 0.200 18989 100 1 . 1 1 22 22 ALA CB C 22 18.500 18.500 18.469 0.031 18989 101 1 . 1 1 23 23 LEU N N 23 116.400 116.400 117.395 -0.995 18989 102 1 . 1 1 23 23 LEU HA H 23 4.230 4.230 4.189 0.041 18989 103 1 . 1 1 23 23 LEU C C 23 177.200 177.200 178.541 -1.341 18989 104 1 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.326 1.674 18989 105 1 . 1 1 23 23 LEU CB C 23 42.400 42.400 41.576 0.824 18989 106 1 . 1 1 24 24 VAL N N 24 128.600 128.600 117.455 11.145 18989 107 1 . 1 1 24 24 VAL HA H 24 3.360 3.360 3.745 -0.386 18989 108 1 . 1 1 24 24 VAL C C 24 175.200 175.200 176.615 -1.415 18989 109 1 . 1 1 24 24 VAL CA C 24 64.300 64.300 64.639 -0.339 18989 110 1 . 1 1 24 24 VAL CB C 24 30.800 30.800 31.943 -1.143 18989 111 1 . 1 1 25 25 SER N N 25 108.500 108.500 114.183 -5.683 18989 112 1 . 1 1 25 25 SER HA H 25 2.520 2.520 4.162 -1.642 18989 113 1 . 1 1 25 25 SER CA C 25 58.200 58.200 58.259 -0.059 18989 114 1 . 1 1 25 25 SER CB C 25 63.600 63.600 63.089 0.511 18989 115 1 . 1 1 26 26 ASP HA H 26 4.910 4.910 4.414 0.496 18989 116 1 . 1 1 26 26 ASP C C 26 175.500 175.500 176.271 -0.771 18989 117 1 . 1 1 26 26 ASP CA C 26 51.200 51.200 54.370 -3.171 18989 118 1 . 1 1 26 26 ASP CB C 26 38.100 38.100 41.028 -2.928 18989 119 1 . 1 1 27 27 ILE N N 27 123.500 123.500 117.616 5.884 18989 120 1 . 1 1 27 27 ILE HA H 27 3.390 3.390 4.070 -0.680 18989 121 1 . 1 1 27 27 ILE C C 27 178.900 178.900 175.927 2.973 18989 122 1 . 1 1 27 27 ILE CA C 27 61.700 61.700 61.837 -0.137 18989 123 1 . 1 1 27 27 ILE CB C 27 36.600 36.600 37.782 -1.182 18989 124 1 . 1 1 28 28 THR N N 28 112.500 112.500 113.972 -1.472 18989 125 1 . 1 1 28 28 THR HA H 28 4.350 4.350 4.040 0.309 18989 126 1 . 1 1 28 28 THR C C 28 176.500 176.500 174.915 1.585 18989 127 1 . 1 1 28 28 THR CA C 28 64.000 64.000 62.741 1.259 18989 128 1 . 1 1 28 28 THR CB C 28 68.600 68.600 68.598 0.002 18989 129 1 . 1 1 29 29 ARG N N 29 121.100 121.100 122.189 -1.089 18989 130 1 . 1 1 29 29 ARG HA H 29 4.280 4.280 4.134 0.146 18989 131 1 . 1 1 29 29 ARG CA C 29 56.200 56.200 56.945 -0.745 18989 132 1 . 1 1 29 29 ARG CB C 29 30.600 30.600 30.414 0.187 18989 133 1 . 1 1 30 30 THR HA H 30 5.870 5.870 4.337 1.533 18989 134 1 . 1 1 30 30 THR C C 30 174.000 174.000 174.353 -0.353 18989 135 1 . 1 1 30 30 THR CA C 30 66.000 66.000 62.534 3.466 18989 136 1 . 1 1 30 30 THR CB C 30 69.400 69.400 69.232 0.168 18989 137 1 . 1 1 31 31 GLY N N 31 106.200 106.200 111.699 -5.499 18989 138 1 . 1 1 31 31 GLY C C 31 175.200 175.200 173.999 1.201 18989 139 1 . 1 1 31 31 GLY CA C 31 46.200 46.200 45.154 1.046 18989 140 1 . 1 1 32 32 GLU N N 32 118.400 118.400 121.321 -2.921 18989 141 1 . 1 1 32 32 GLU HA H 32 3.970 3.970 4.119 -0.149 18989 142 1 . 1 1 32 32 GLU C C 32 177.500 177.500 177.054 0.446 18989 143 1 . 1 1 32 32 GLU CA C 32 58.800 58.800 56.913 1.887 18989 144 1 . 1 1 32 32 GLU CB C 32 29.800 29.800 29.706 0.094 18989 145 1 . 1 1 33 33 TRP N N 33 113.200 113.200 120.166 -6.966 18989 146 1 . 1 1 33 33 TRP HA H 33 4.940 4.940 4.542 0.398 18989 147 1 . 1 1 33 33 TRP C C 33 175.300 175.300 176.026 -0.726 18989 148 1 . 1 1 33 33 TRP CA C 33 56.400 56.400 57.678 -1.278 18989 149 1 . 1 1 33 33 TRP CB C 33 30.600 30.600 28.813 1.787 18989 150 1 . 1 1 34 34 SER N N 34 118.600 118.600 115.043 3.557 18989 151 1 . 1 1 34 34 SER HA H 34 4.930 4.930 4.643 0.287 18989 152 1 . 1 1 34 34 SER CA C 34 54.700 54.700 56.981 -2.281 18989 153 1 . 1 1 34 34 SER CB C 34 63.000 63.000 63.613 -0.613 18989 154 1 . 1 1 35 35 PRO HA H 35 4.460 4.460 4.578 -0.118 18989 155 1 . 1 1 35 35 PRO C C 35 177.100 177.100 176.893 0.206 18989 156 1 . 1 1 35 35 PRO CA C 35 64.500 64.500 63.280 1.220 18989 157 1 . 1 1 35 35 PRO CB C 35 32.300 32.300 31.727 0.573 18989 158 1 . 1 1 36 36 VAL N N 36 113.900 113.900 113.617 0.283 18989 159 1 . 1 1 36 36 VAL HA H 36 4.100 4.100 4.261 -0.161 18989 160 1 . 1 1 36 36 VAL C C 36 174.200 174.200 175.814 -1.614 18989 161 1 . 1 1 36 36 VAL CA C 36 62.900 62.900 62.630 0.270 18989 162 1 . 1 1 36 36 VAL CB C 36 32.500 32.500 31.857 0.643 18989 163 1 . 1 1 37 37 CYS N N 37 121.000 121.000 119.389 1.611 18989 164 1 . 1 1 37 37 CYS HA H 37 4.460 4.460 4.684 -0.224 18989 165 1 . 1 1 37 37 CYS C C 37 173.600 173.600 174.852 -1.252 18989 166 1 . 1 1 37 37 CYS CA C 37 58.500 58.500 58.381 0.119 18989 167 1 . 1 1 37 37 CYS CB C 37 27.000 27.000 28.235 -1.235 18989 168 1 . 1 1 38 38 GLU N N 38 129.300 129.300 127.051 2.249 18989 169 1 . 1 1 38 38 GLU HA H 38 4.140 4.140 4.142 -0.002 18989 170 1 . 1 1 38 38 GLU C C 38 176.500 176.500 176.164 0.336 18989 171 1 . 1 1 38 38 GLU CA C 38 57.900 57.900 58.167 -0.267 18989 172 1 . 1 1 38 38 GLU CB C 38 31.800 31.800 30.607 1.193 18989 173 1 . 1 1 39 39 LYS N N 39 117.100 117.100 117.990 -0.890 18989 174 1 . 1 1 39 39 LYS HA H 39 4.470 4.470 4.451 0.019 18989 175 1 . 1 1 39 39 LYS C C 39 173.600 173.600 174.057 -0.457 18989 176 1 . 1 1 39 39 LYS CA C 39 55.800 55.800 55.806 -0.006 18989 177 1 . 1 1 39 39 LYS CB C 39 36.500 36.500 34.923 1.577 18989 178 1 . 1 1 40 40 CYS N N 40 125.100 125.100 122.499 2.601 18989 179 1 . 1 1 40 40 CYS HA H 40 5.410 5.410 5.115 0.295 18989 180 1 . 1 1 40 40 CYS C C 40 173.000 173.000 173.628 -0.628 18989 181 1 . 1 1 40 40 CYS CA C 40 57.100 57.100 57.252 -0.152 18989 182 1 . 1 1 40 40 CYS CB C 40 30.100 30.100 29.593 0.507 18989 183 1 . 1 1 41 41 TRP N N 41 124.300 124.300 126.942 -2.642 18989 184 1 . 1 1 41 41 TRP HA H 41 4.830 4.830 4.849 -0.019 18989 185 1 . 1 1 41 41 TRP C C 41 174.100 174.100 174.626 -0.526 18989 186 1 . 1 1 41 41 TRP CA C 41 56.300 56.300 56.152 0.148 18989 187 1 . 1 1 41 41 TRP CB C 41 32.400 32.400 31.443 0.957 18989 188 1 . 1 1 42 42 TRP N N 42 123.700 123.700 125.587 -1.887 18989 189 1 . 1 1 42 42 TRP HA H 42 4.830 4.830 4.893 -0.063 18989 190 1 . 1 1 42 42 TRP C C 42 178.200 178.200 176.308 1.893 18989 191 1 . 1 1 42 42 TRP CA C 42 57.000 57.000 55.676 1.324 18989 192 1 . 1 1 42 42 TRP CB C 42 31.600 31.600 31.195 0.405 18989 193 1 . 1 1 43 43 ASP N N 43 124.400 124.400 124.268 0.132 18989 194 1 . 1 1 43 43 ASP HA H 43 4.680 4.680 4.326 0.354 18989 195 1 . 1 1 43 43 ASP C C 43 176.300 176.300 177.316 -1.016 18989 196 1 . 1 1 43 43 ASP CA C 43 56.300 56.300 56.754 -0.454 18989 197 1 . 1 1 43 43 ASP CB C 43 40.300 40.300 40.809 -0.509 18989 198 1 . 1 1 44 44 GLU N N 44 119.400 119.400 118.939 0.461 18989 199 1 . 1 1 44 44 GLU HA H 44 4.270 4.270 4.029 0.241 18989 200 1 . 1 1 44 44 GLU C C 44 176.500 176.500 177.735 -1.235 18989 201 1 . 1 1 44 44 GLU CA C 44 57.600 57.600 58.629 -1.029 18989 202 1 . 1 1 44 44 GLU CB C 44 30.200 30.200 28.970 1.230 18989 203 1 . 1 1 45 45 ASP N N 45 118.300 118.300 118.776 -0.476 18989 204 1 . 1 1 45 45 ASP HA H 45 4.480 4.480 4.357 0.123 18989 205 1 . 1 1 45 45 ASP C C 45 175.900 175.900 177.600 -1.700 18989 206 1 . 1 1 45 45 ASP CA C 45 56.000 56.000 56.332 -0.332 18989 207 1 . 1 1 45 45 ASP CB C 45 40.200 40.200 40.914 -0.714 18989 208 1 . 1 1 46 46 GLU N N 46 118.200 118.200 117.656 0.544 18989 209 1 . 1 1 46 46 GLU HA H 46 4.460 4.460 4.353 0.107 18989 210 1 . 1 1 46 46 GLU C C 46 175.200 175.200 176.920 -1.720 18989 211 1 . 1 1 46 46 GLU CA C 46 56.600 56.600 56.591 0.008 18989 212 1 . 1 1 46 46 GLU CB C 46 30.800 30.800 30.931 -0.132 18989 213 1 . 1 1 47 47 GLY N N 47 106.400 106.400 108.519 -2.119 18989 214 1 . 1 1 47 47 GLY CA C 47 43.600 43.600 44.401 -0.801 18989 215 1 . 1 1 48 48 PRO HA H 48 4.590 4.590 4.727 -0.137 18989 216 1 . 1 1 48 48 PRO C C 48 173.400 173.400 176.074 -2.674 18989 217 1 . 1 1 48 48 PRO CA C 48 63.100 63.100 62.950 0.150 18989 218 1 . 1 1 48 48 PRO CB C 48 29.100 29.100 31.048 -1.948 18989 219 1 . 1 1 49 49 VAL N N 49 121.900 121.900 117.230 4.670 18989 220 1 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.574 0.036 18989 221 1 . 1 1 49 49 VAL C C 49 175.100 175.100 175.194 -0.094 18989 222 1 . 1 1 49 49 VAL CA C 49 59.300 59.300 58.853 0.447 18989 223 1 . 1 1 49 49 VAL CB C 49 35.500 35.500 34.480 1.020 18989 224 1 . 1 1 50 50 VAL N N 50 121.700 121.700 122.266 -0.567 18989 225 1 . 1 1 50 50 VAL HA H 50 3.300 3.300 3.960 -0.660 18989 226 1 . 1 1 50 50 VAL C C 50 177.400 177.400 177.009 0.391 18989 227 1 . 1 1 50 50 VAL CA C 50 66.200 66.200 63.743 2.456 18989 228 1 . 1 1 50 50 VAL CB C 50 31.300 31.300 30.818 0.482 18989 229 1 . 1 1 51 51 GLY N N 51 115.800 115.800 116.383 -0.583 18989 230 1 . 1 1 51 51 GLY C C 51 174.200 174.200 173.730 0.470 18989 231 1 . 1 1 51 51 GLY CA C 51 44.600 44.600 44.816 -0.216 18989 232 1 . 1 1 52 52 ALA N N 52 123.000 123.000 124.609 -1.609 18989 233 1 . 1 1 52 52 ALA HA H 52 4.550 4.550 4.385 0.165 18989 234 1 . 1 1 52 52 ALA C C 52 177.300 177.300 175.722 1.578 18989 235 1 . 1 1 52 52 ALA CA C 52 52.800 52.800 52.115 0.685 18989 236 1 . 1 1 52 52 ALA CB C 52 23.100 23.100 20.202 2.898 18989 237 1 . 1 1 53 53 HIS N N 53 115.900 115.900 118.679 -2.779 18989 238 1 . 1 1 53 53 HIS HA H 53 6.020 6.020 5.402 0.618 18989 239 1 . 1 1 53 53 HIS C C 53 174.200 174.200 174.064 0.137 18989 240 1 . 1 1 53 53 HIS CA C 53 55.200 55.200 54.401 0.799 18989 241 1 . 1 1 53 53 HIS CB C 53 32.100 32.100 31.564 0.536 18989 242 1 . 1 1 54 54 PHE N N 54 115.800 115.800 121.861 -6.061 18989 243 1 . 1 1 54 54 PHE HA H 54 5.150 5.150 4.956 0.194 18989 244 1 . 1 1 54 54 PHE C C 54 172.600 172.600 174.519 -1.919 18989 245 1 . 1 1 54 54 PHE CA C 54 55.500 55.500 56.483 -0.983 18989 246 1 . 1 1 54 54 PHE CB C 54 41.700 41.700 40.821 0.879 18989 247 1 . 1 1 55 55 THR N N 55 118.300 118.300 118.314 -0.014 18989 248 1 . 1 1 55 55 THR HA H 55 4.770 4.770 4.894 -0.124 18989 249 1 . 1 1 55 55 THR C C 55 171.800 171.800 173.872 -2.072 18989 250 1 . 1 1 55 55 THR CA C 55 61.000 61.000 61.563 -0.563 18989 251 1 . 1 1 55 55 THR CB C 55 70.200 70.200 70.251 -0.051 18989 252 1 . 1 1 56 56 GLY N N 56 110.500 110.500 112.156 -1.656 18989 253 1 . 1 1 56 56 GLY C C 56 171.100 171.100 172.309 -1.209 18989 254 1 . 1 1 56 56 GLY CA C 56 44.300 44.300 44.633 -0.333 18989 255 1 . 1 1 57 57 ARG N N 57 123.800 123.800 125.659 -1.859 18989 256 1 . 1 1 57 57 ARG HA H 57 4.660 4.660 4.501 0.159 18989 257 1 . 1 1 57 57 ARG C C 57 172.900 172.900 174.753 -1.853 18989 258 1 . 1 1 57 57 ARG CA C 57 55.300 55.300 54.924 0.376 18989 259 1 . 1 1 57 57 ARG CB C 57 32.500 32.500 31.468 1.032 18989 260 1 . 1 1 58 58 ASN N N 58 127.200 127.200 124.918 2.282 18989 261 1 . 1 1 58 58 ASN HA H 58 5.060 5.060 5.091 -0.031 18989 262 1 . 1 1 58 58 ASN C C 58 173.100 173.100 173.517 -0.417 18989 263 1 . 1 1 58 58 ASN CA C 58 51.900 51.900 53.086 -1.186 18989 264 1 . 1 1 58 58 ASN CB C 58 38.800 38.800 40.806 -2.007 18989 265 1 . 1 1 59 59 VAL N N 59 121.400 121.400 125.834 -4.434 18989 266 1 . 1 1 59 59 VAL HA H 59 4.680 4.680 4.520 0.160 18989 267 1 . 1 1 59 59 VAL C C 59 175.100 175.100 174.031 1.069 18989 268 1 . 1 1 59 59 VAL CA C 59 62.400 62.400 60.382 2.018 18989 269 1 . 1 1 59 59 VAL CB C 59 35.800 35.800 34.320 1.480 18989 270 1 . 1 1 60 60 THR N N 60 118.000 118.000 120.525 -2.525 18989 271 1 . 1 1 60 60 THR HA H 60 5.000 5.000 4.984 0.016 18989 272 1 . 1 1 60 60 THR CA C 60 58.900 58.900 58.659 0.241 18989 273 1 . 1 1 60 60 THR CB C 60 70.200 70.200 70.111 0.089 18989 274 1 . 1 1 61 61 PRO HA H 61 4.280 4.280 4.365 -0.085 18989 275 1 . 1 1 61 61 PRO C C 61 177.700 177.700 177.060 0.640 18989 276 1 . 1 1 61 61 PRO CA C 61 65.500 65.500 64.662 0.838 18989 277 1 . 1 1 61 61 PRO CB C 61 31.800 31.800 31.842 -0.042 18989 278 1 . 1 1 62 62 GLU N N 62 111.700 111.700 117.025 -5.325 18989 279 1 . 1 1 62 62 GLU HA H 62 4.280 4.280 4.315 -0.035 18989 280 1 . 1 1 62 62 GLU C C 62 176.500 176.500 176.648 -0.148 18989 281 1 . 1 1 62 62 GLU CA C 62 57.600 57.600 56.737 0.863 18989 282 1 . 1 1 62 62 GLU CB C 62 31.000 31.000 30.356 0.645 18989 283 1 . 1 1 63 63 ARG N N 63 118.000 118.000 119.431 -1.431 18989 284 1 . 1 1 63 63 ARG HA H 63 4.690 4.690 4.704 -0.014 18989 285 1 . 1 1 63 63 ARG C C 63 174.000 174.000 174.298 -0.298 18989 286 1 . 1 1 63 63 ARG CA C 63 56.700 56.700 55.434 1.266 18989 287 1 . 1 1 63 63 ARG CB C 63 33.700 33.700 33.318 0.382 18989 288 1 . 1 1 64 64 THR N N 64 120.700 120.700 118.557 2.143 18989 289 1 . 1 1 64 64 THR HA H 64 5.780 5.780 5.153 0.627 18989 290 1 . 1 1 64 64 THR C C 64 174.000 174.000 173.423 0.576 18989 291 1 . 1 1 64 64 THR CA C 64 61.600 61.600 61.594 0.006 18989 292 1 . 1 1 64 64 THR CB C 64 71.700 71.700 70.200 1.500 18989 293 1 . 1 1 65 65 TRP N N 65 128.000 128.000 128.095 -0.095 18989 294 1 . 1 1 65 65 TRP HA H 65 5.170 5.170 4.945 0.225 18989 295 1 . 1 1 65 65 TRP C C 65 172.800 172.800 173.702 -0.902 18989 296 1 . 1 1 65 65 TRP CA C 65 57.300 57.300 56.566 0.734 18989 297 1 . 1 1 65 65 TRP CB C 65 32.900 32.900 33.050 -0.150 18989 298 1 . 1 1 66 66 GLU N N 66 120.800 120.800 124.167 -3.367 18989 299 1 . 1 1 66 66 GLU HA H 66 5.590 5.590 4.616 0.974 18989 300 1 . 1 1 66 66 GLU C C 66 177.300 177.300 175.293 2.007 18989 301 1 . 1 1 66 66 GLU CA C 66 54.200 54.200 55.109 -0.909 18989 302 1 . 1 1 66 66 GLU CB C 66 32.700 32.700 31.392 1.308 18989 303 1 . 1 1 67 67 THR N N 67 113.700 113.700 116.398 -2.698 18989 304 1 . 1 1 67 67 THR HA H 67 4.750 4.750 4.702 0.048 18989 305 1 . 1 1 67 67 THR C C 67 173.300 173.300 174.178 -0.878 18989 306 1 . 1 1 67 67 THR CA C 67 59.500 59.500 60.986 -1.486 18989 307 1 . 1 1 67 67 THR CB C 67 71.500 71.500 70.491 1.009 18989 308 1 . 1 1 68 68 ARG N N 68 125.300 125.300 127.352 -2.052 18989 309 1 . 1 1 68 68 ARG HA H 68 4.860 4.860 4.856 0.004 18989 310 1 . 1 1 68 68 ARG C C 68 175.700 175.700 175.402 0.298 18989 311 1 . 1 1 68 68 ARG CA C 68 55.000 55.000 55.028 -0.028 18989 312 1 . 1 1 68 68 ARG CB C 68 31.700 31.700 30.992 0.708 18989 313 1 . 1 1 69 69 SER N N 69 122.000 122.000 120.571 1.429 18989 314 1 . 1 1 69 69 SER HA H 69 5.570 5.570 5.129 0.441 18989 315 1 . 1 1 69 69 SER C C 69 172.200 172.200 173.116 -0.916 18989 316 1 . 1 1 69 69 SER CA C 69 58.000 58.000 57.538 0.462 18989 317 1 . 1 1 69 69 SER CB C 69 66.700 66.700 64.994 1.706 18989 318 1 . 1 1 70 70 GLU N N 70 121.900 121.900 125.901 -4.001 18989 319 1 . 1 1 70 70 GLU HA H 70 5.200 5.200 4.914 0.286 18989 320 1 . 1 1 70 70 GLU C C 70 176.000 176.000 175.954 0.046 18989 321 1 . 1 1 70 70 GLU CA C 70 53.600 53.600 54.663 -1.063 18989 322 1 . 1 1 70 70 GLU CB C 70 34.700 34.700 32.267 2.433 18989 323 1 . 1 1 71 71 VAL N N 71 126.600 126.600 127.363 -0.763 18989 324 1 . 1 1 71 71 VAL HA H 71 4.250 4.250 4.208 0.042 18989 325 1 . 1 1 71 71 VAL C C 71 177.600 177.600 176.682 0.918 18989 326 1 . 1 1 71 71 VAL CA C 71 64.800 64.800 63.625 1.175 18989 327 1 . 1 1 71 71 VAL CB C 71 32.200 32.200 30.802 1.398 18989 328 1 . 1 1 72 72 ILE N N 72 123.200 123.200 125.290 -2.090 18989 329 1 . 1 1 72 72 ILE HA H 72 4.730 4.730 4.325 0.405 18989 330 1 . 1 1 72 72 ILE C C 72 175.200 175.200 175.717 -0.517 18989 331 1 . 1 1 72 72 ILE CA C 72 62.000 62.000 62.374 -0.374 18989 332 1 . 1 1 72 72 ILE CB C 72 39.600 39.600 38.740 0.860 18989 333 1 . 1 1 73 73 VAL N N 73 121.700 121.700 120.017 1.683 18989 334 1 . 1 1 73 73 VAL HA H 73 4.200 4.200 4.392 -0.192 18989 335 1 . 1 1 73 73 VAL C C 73 172.000 172.000 173.436 -1.436 18989 336 1 . 1 1 73 73 VAL CA C 73 62.100 62.100 61.260 0.840 18989 337 1 . 1 1 73 73 VAL CB C 73 34.700 34.700 35.430 -0.731 18989 338 1 . 1 1 74 74 ALA N N 74 131.100 131.100 130.415 0.685 18989 339 1 . 1 1 74 74 ALA HA H 74 5.320 5.320 4.982 0.338 18989 340 1 . 1 1 74 74 ALA C C 74 174.900 174.900 176.043 -1.143 18989 341 1 . 1 1 74 74 ALA CA C 74 52.700 52.700 51.441 1.259 18989 342 1 . 1 1 74 74 ALA CB C 74 18.300 18.300 20.706 -2.406 18989 343 1 . 1 1 75 75 GLU N N 75 126.100 126.100 124.439 1.661 18989 344 1 . 1 1 75 75 GLU HA H 75 4.970 4.970 4.821 0.149 18989 345 1 . 1 1 75 75 GLU CA C 75 52.100 52.100 52.796 -0.696 18989 346 1 . 1 1 75 75 GLU CB C 75 31.300 31.300 30.747 0.553 18989 347 1 . 1 1 76 76 PRO HA H 76 2.620 2.620 4.290 -1.670 18989 348 1 . 1 1 76 76 PRO CA C 76 63.900 63.900 64.191 -0.291 18989 349 1 . 1 1 76 76 PRO CB C 76 31.900 31.900 31.500 0.400 18989 350 1 . 1 1 77 77 ASN HA H 77 3.760 3.760 4.188 -0.428 18989 351 1 . 1 1 77 77 ASN C C 77 172.700 172.700 174.420 -1.720 18989 352 1 . 1 1 77 77 ASN CA C 77 55.100 55.100 53.912 1.188 18989 353 1 . 1 1 77 77 ASN CB C 77 36.900 36.900 37.862 -0.962 18989 354 1 . 1 1 78 78 ARG N N 78 115.300 115.300 118.115 -2.815 18989 355 1 . 1 1 78 78 ARG HA H 78 4.900 4.900 4.669 0.231 18989 356 1 . 1 1 78 78 ARG C C 78 176.000 176.000 174.455 1.545 18989 357 1 . 1 1 78 78 ARG CA C 78 58.300 58.300 56.992 1.308 18989 358 1 . 1 1 78 78 ARG CB C 78 34.000 34.000 32.784 1.216 18989 359 1 . 1 1 79 79 CYS N N 79 117.700 117.700 117.119 0.581 18989 360 1 . 1 1 79 79 CYS HA H 79 5.670 5.670 5.238 0.432 18989 361 1 . 1 1 79 79 CYS C C 79 172.200 172.200 172.671 -0.471 18989 362 1 . 1 1 79 79 CYS CA C 79 58.200 58.200 58.297 -0.097 18989 363 1 . 1 1 79 79 CYS CB C 79 29.500 29.500 30.273 -0.773 18989 364 1 . 1 1 80 80 PHE N N 80 129.500 129.500 126.462 3.038 18989 365 1 . 1 1 80 80 PHE HA H 80 5.520 5.520 5.235 0.285 18989 366 1 . 1 1 80 80 PHE C C 80 173.400 173.400 174.158 -0.758 18989 367 1 . 1 1 80 80 PHE CA C 80 57.900 57.900 56.680 1.220 18989 368 1 . 1 1 80 80 PHE CB C 80 43.800 43.800 42.398 1.402 18989 369 1 . 1 1 81 81 GLY N N 81 114.500 114.500 114.471 0.029 18989 370 1 . 1 1 81 81 GLY C C 81 171.900 171.900 172.068 -0.168 18989 371 1 . 1 1 81 81 GLY CA C 81 46.600 46.600 44.512 2.088 18989 372 1 . 1 1 82 82 TRP N N 82 121.700 121.700 122.020 -0.320 18989 373 1 . 1 1 82 82 TRP HA H 82 5.790 5.790 5.597 0.193 18989 374 1 . 1 1 82 82 TRP C C 82 171.500 171.500 173.806 -2.306 18989 375 1 . 1 1 82 82 TRP CA C 82 57.400 57.400 54.117 3.283 18989 376 1 . 1 1 82 82 TRP CB C 82 33.900 33.900 32.054 1.846 18989 377 1 . 1 1 83 83 SER N N 83 113.600 113.600 116.131 -2.531 18989 378 1 . 1 1 83 83 SER HA H 83 5.680 5.680 5.125 0.555 18989 379 1 . 1 1 83 83 SER C C 83 174.500 174.500 174.411 0.089 18989 380 1 . 1 1 83 83 SER CA C 83 54.800 54.800 56.716 -1.915 18989 381 1 . 1 1 83 83 SER CB C 83 66.700 66.700 64.757 1.943 18989 382 1 . 1 1 84 84 VAL N N 84 125.400 125.400 127.705 -2.305 18989 383 1 . 1 1 84 84 VAL HA H 84 4.850 4.850 4.334 0.516 18989 384 1 . 1 1 84 84 VAL C C 84 176.500 176.500 176.433 0.067 18989 385 1 . 1 1 84 84 VAL CA C 84 61.400 61.400 63.069 -1.669 18989 386 1 . 1 1 84 84 VAL CB C 84 34.600 34.600 31.656 2.944 18989 387 1 . 1 1 85 85 THR N N 85 120.300 120.300 120.732 -0.432 18989 388 1 . 1 1 85 85 THR HA H 85 3.720 3.720 3.965 -0.245 18989 389 1 . 1 1 85 85 THR C C 85 173.500 173.500 174.054 -0.554 18989 390 1 . 1 1 85 85 THR CA C 85 62.900 62.900 64.096 -1.196 18989 391 1 . 1 1 85 85 THR CB C 85 66.600 66.600 68.108 -1.509 18989 392 1 . 1 1 86 86 ASP N N 86 119.000 119.000 122.047 -3.047 18989 393 1 . 1 1 86 86 ASP HA H 86 4.220 4.220 4.324 -0.104 18989 394 1 . 1 1 86 86 ASP C C 86 177.100 177.100 176.269 0.831 18989 395 1 . 1 1 86 86 ASP CA C 86 54.700 54.700 55.926 -1.226 18989 396 1 . 1 1 86 86 ASP CB C 86 39.700 39.700 40.116 -0.416 18989 397 1 . 1 1 87 87 GLY N N 87 103.400 103.400 109.053 -5.653 18989 398 1 . 1 1 87 87 GLY C C 87 175.000 175.000 173.763 1.237 18989 399 1 . 1 1 87 87 GLY CA C 87 45.600 45.600 45.384 0.216 18989 400 1 . 1 1 88 88 ASN N N 88 122.300 122.300 119.324 2.976 18989 401 1 . 1 1 88 88 ASN HA H 88 4.110 4.110 4.598 -0.488 18989 402 1 . 1 1 88 88 ASN C C 88 174.500 174.500 174.385 0.115 18989 403 1 . 1 1 88 88 ASN CA C 88 55.600 55.600 54.736 0.864 18989 404 1 . 1 1 88 88 ASN CB C 88 38.200 38.200 40.134 -1.934 18989 405 1 . 1 1 89 89 VAL N N 89 115.700 115.700 118.570 -2.869 18989 406 1 . 1 1 89 89 VAL HA H 89 4.830 4.830 4.311 0.520 18989 407 1 . 1 1 89 89 VAL C C 89 174.700 174.700 174.496 0.204 18989 408 1 . 1 1 89 89 VAL CA C 89 59.600 59.600 61.150 -1.550 18989 409 1 . 1 1 89 89 VAL CB C 89 37.000 37.000 33.877 3.122 18989 410 1 . 1 1 90 90 LYS N N 90 123.600 123.600 123.878 -0.278 18989 411 1 . 1 1 90 90 LYS HA H 90 5.010 5.010 4.768 0.242 18989 412 1 . 1 1 90 90 LYS C C 90 174.100 174.100 174.718 -0.618 18989 413 1 . 1 1 90 90 LYS CA C 90 54.900 54.900 55.227 -0.327 18989 414 1 . 1 1 90 90 LYS CB C 90 36.300 36.300 35.451 0.849 18989 415 1 . 1 1 91 91 TRP N N 91 124.600 124.600 125.296 -0.696 18989 416 1 . 1 1 91 91 TRP HA H 91 5.100 5.100 4.965 0.135 18989 417 1 . 1 1 91 91 TRP C C 91 174.600 174.600 174.828 -0.228 18989 418 1 . 1 1 91 91 TRP CA C 91 54.900 54.900 55.767 -0.867 18989 419 1 . 1 1 91 91 TRP CB C 91 30.800 30.800 31.206 -0.406 18989 420 1 . 1 1 92 92 ILE N N 92 118.000 118.000 122.884 -4.884 18989 421 1 . 1 1 92 92 ILE HA H 92 4.560 4.560 4.384 0.176 18989 422 1 . 1 1 92 92 ILE C C 92 176.300 176.300 174.397 1.903 18989 423 1 . 1 1 92 92 ILE CA C 92 60.800 60.800 59.413 1.387 18989 424 1 . 1 1 92 92 ILE CB C 92 42.100 42.100 38.829 3.271 18989 425 1 . 1 1 93 93 TYR N N 93 127.700 127.700 128.114 -0.414 18989 426 1 . 1 1 93 93 TYR HA H 93 5.850 5.850 5.138 0.712 18989 427 1 . 1 1 93 93 TYR C C 93 175.300 175.300 175.394 -0.094 18989 428 1 . 1 1 93 93 TYR CA C 93 57.100 57.100 56.728 0.372 18989 429 1 . 1 1 93 93 TYR CB C 93 40.800 40.800 39.173 1.627 18989 430 1 . 1 1 94 94 SER N N 94 117.900 117.900 119.118 -1.218 18989 431 1 . 1 1 94 94 SER HA H 94 5.510 5.510 4.972 0.538 18989 432 1 . 1 1 94 94 SER C C 94 172.700 172.700 173.527 -0.827 18989 433 1 . 1 1 94 94 SER CA C 94 57.300 57.300 57.789 -0.489 18989 434 1 . 1 1 94 94 SER CB C 94 65.600 65.600 64.536 1.064 18989 435 1 . 1 1 95 95 MET N N 95 119.600 119.600 124.574 -4.974 18989 436 1 . 1 1 95 95 MET HA H 95 5.840 5.840 5.200 0.640 18989 437 1 . 1 1 95 95 MET C C 95 173.800 173.800 174.951 -1.151 18989 438 1 . 1 1 95 95 MET CA C 95 54.200 54.200 54.353 -0.153 18989 439 1 . 1 1 95 95 MET CB C 95 37.400 37.400 35.165 2.235 18989 440 1 . 1 1 96 96 GLU N N 96 119.100 119.100 123.890 -4.790 18989 441 1 . 1 1 96 96 GLU HA H 96 4.970 4.970 4.881 0.089 18989 442 1 . 1 1 96 96 GLU CA C 96 52.900 52.900 53.037 -0.136 18989 443 1 . 1 1 96 96 GLU CB C 96 33.000 33.000 30.634 2.366 18989 444 1 . 1 1 97 97 PRO HA H 97 4.820 4.820 4.462 0.358 18989 445 1 . 1 1 97 97 PRO C C 97 176.300 176.300 176.209 0.091 18989 446 1 . 1 1 97 97 PRO CA C 97 63.100 63.100 62.833 0.267 18989 447 1 . 1 1 97 97 PRO CB C 97 32.700 32.700 31.491 1.209 18989 448 1 . 1 1 98 98 LEU N N 98 122.900 122.900 125.666 -2.766 18989 449 1 . 1 1 98 98 LEU HA H 98 4.530 4.530 4.497 0.033 18989 450 1 . 1 1 98 98 LEU C C 98 176.200 176.200 177.619 -1.419 18989 451 1 . 1 1 98 98 LEU CA C 98 54.200 54.200 53.742 0.459 18989 452 1 . 1 1 98 98 LEU CB C 98 44.100 44.100 43.041 1.059 18989 453 1 . 1 1 99 99 GLU N N 99 124.700 124.700 119.310 5.390 18989 454 1 . 1 1 99 99 GLU HA H 99 3.860 3.860 4.174 -0.314 18989 455 1 . 1 1 99 99 GLU C C 99 176.900 176.900 177.254 -0.354 18989 456 1 . 1 1 99 99 GLU CA C 99 59.500 59.500 58.156 1.344 18989 457 1 . 1 1 99 99 GLU CB C 99 28.000 28.000 29.830 -1.830 18989 458 1 . 1 1 100 100 GLU N N 100 118.200 118.200 117.901 0.299 18989 459 1 . 1 1 100 100 GLU HA H 100 4.430 4.430 4.334 0.096 18989 460 1 . 1 1 100 100 GLU C C 100 176.200 176.200 176.573 -0.373 18989 461 1 . 1 1 100 100 GLU CA C 100 56.400 56.400 56.644 -0.244 18989 462 1 . 1 1 100 100 GLU CB C 100 29.900 29.900 30.376 -0.476 18989 463 1 . 1 1 101 101 GLY N N 101 110.100 110.100 106.638 3.462 18989 464 1 . 1 1 101 101 GLY C C 101 174.100 174.100 172.815 1.284 18989 465 1 . 1 1 101 101 GLY CA C 101 45.000 45.000 45.157 -0.157 18989 466 1 . 1 1 102 102 THR N N 102 120.200 120.200 116.724 3.476 18989 467 1 . 1 1 102 102 THR HA H 102 4.850 4.850 5.054 -0.204 18989 468 1 . 1 1 102 102 THR C C 102 172.700 172.700 173.646 -0.946 18989 469 1 . 1 1 102 102 THR CA C 102 63.700 63.700 62.302 1.398 18989 470 1 . 1 1 102 102 THR CB C 102 73.600 73.600 72.269 1.331 18989 471 1 . 1 1 103 103 VAL N N 103 125.600 125.600 127.686 -2.086 18989 472 1 . 1 1 103 103 VAL HA H 103 4.910 4.910 4.509 0.401 18989 473 1 . 1 1 103 103 VAL C C 103 175.000 175.000 175.133 -0.133 18989 474 1 . 1 1 103 103 VAL CA C 103 61.300 61.300 61.989 -0.689 18989 475 1 . 1 1 103 103 VAL CB C 103 32.700 32.700 31.509 1.191 18989 476 1 . 1 1 104 104 LEU N N 104 133.900 133.900 131.196 2.704 18989 477 1 . 1 1 104 104 LEU HA H 104 5.140 5.140 4.943 0.197 18989 478 1 . 1 1 104 104 LEU C C 104 173.800 173.800 175.569 -1.769 18989 479 1 . 1 1 104 104 LEU CA C 104 53.300 53.300 54.059 -0.759 18989 480 1 . 1 1 104 104 LEU CB C 104 46.100 46.100 43.012 3.088 18989 481 1 . 1 1 105 105 THR N N 105 124.400 124.400 123.905 0.495 18989 482 1 . 1 1 105 105 THR HA H 105 5.210 5.210 4.952 0.258 18989 483 1 . 1 1 105 105 THR C C 105 173.500 173.500 173.153 0.347 18989 484 1 . 1 1 105 105 THR CA C 105 61.500 61.500 61.733 -0.233 18989 485 1 . 1 1 105 105 THR CB C 105 71.100 71.100 70.212 0.888 18989 486 1 . 1 1 106 106 GLU N N 106 126.900 126.900 127.817 -0.917 18989 487 1 . 1 1 106 106 GLU HA H 106 5.360 5.360 4.896 0.464 18989 488 1 . 1 1 106 106 GLU C C 106 173.400 173.400 175.113 -1.713 18989 489 1 . 1 1 106 106 GLU CA C 106 54.400 54.400 54.355 0.045 18989 490 1 . 1 1 106 106 GLU CB C 106 32.000 32.000 32.156 -0.156 18989 491 1 . 1 1 107 107 SER N N 107 120.800 120.800 120.493 0.307 18989 492 1 . 1 1 107 107 SER HA H 107 5.470 5.470 4.868 0.602 18989 493 1 . 1 1 107 107 SER C C 107 171.600 171.600 172.987 -1.387 18989 494 1 . 1 1 107 107 SER CA C 107 56.000 56.000 57.479 -1.479 18989 495 1 . 1 1 107 107 SER CB C 107 66.700 66.700 64.489 2.211 18989 496 1 . 1 1 108 108 TRP N N 108 124.600 124.600 129.351 -4.750 18989 497 1 . 1 1 108 108 TRP HA H 108 4.680 4.680 4.739 -0.059 18989 498 1 . 1 1 108 108 TRP C C 108 175.000 175.000 174.445 0.555 18989 499 1 . 1 1 108 108 TRP CA C 108 55.900 55.900 55.951 -0.051 18989 500 1 . 1 1 108 108 TRP CB C 108 33.600 33.600 31.195 2.405 18989 501 1 . 1 1 109 109 GLU N N 109 127.200 127.200 127.631 -0.431 18989 502 1 . 1 1 109 109 GLU HA H 109 4.500 4.500 4.196 0.304 18989 503 1 . 1 1 109 109 GLU C C 109 172.300 172.300 174.001 -1.701 18989 504 1 . 1 1 109 109 GLU CA C 109 54.100 54.100 54.605 -0.505 18989 505 1 . 1 1 109 109 GLU CB C 109 32.900 32.900 32.632 0.268 18989 506 1 . 1 1 110 110 PHE N N 110 129.400 129.400 126.772 2.628 18989 507 1 . 1 1 110 110 PHE HA H 110 4.690 4.690 4.703 -0.013 18989 508 1 . 1 1 110 110 PHE C C 110 177.100 177.100 174.711 2.389 18989 509 1 . 1 1 110 110 PHE CA C 110 54.000 54.000 56.355 -2.355 18989 510 1 . 1 1 110 110 PHE CB C 110 38.500 38.500 40.651 -2.151 18989 511 1 . 1 1 111 111 THR N N 111 117.800 117.800 121.017 -3.217 18989 512 1 . 1 1 111 111 THR HA H 111 4.510 4.510 4.477 0.033 18989 513 1 . 1 1 111 111 THR CA C 111 61.800 61.800 59.797 2.003 18989 514 1 . 1 1 111 111 THR CB C 111 66.100 66.100 68.936 -2.836 18989 515 1 . 1 1 113 113 LYS HA H 113 3.990 3.990 4.111 -0.121 18989 516 1 . 1 1 113 113 LYS C C 113 179.200 179.200 178.404 0.796 18989 517 1 . 1 1 114 114 GLY N N 114 110.100 110.100 106.751 3.349 18989 518 1 . 1 1 114 114 GLY CA C 114 47.100 47.100 46.728 0.372 18989 519 1 . 1 1 115 115 GLN N N 115 121.100 121.100 121.045 0.055 18989 520 1 . 1 1 115 115 GLN HA H 115 4.010 4.010 4.444 -0.434 18989 521 1 . 1 1 115 115 GLN C C 115 178.000 178.000 178.271 -0.271 18989 522 1 . 1 1 115 115 GLN CA C 115 59.900 59.900 58.837 1.063 18989 523 1 . 1 1 115 115 GLN CB C 115 29.400 29.400 28.496 0.904 18989 524 1 . 1 1 116 116 ARG HA H 116 4.140 4.140 4.183 -0.043 18989 525 1 . 1 1 116 116 ARG C C 116 177.900 177.900 178.357 -0.457 18989 526 1 . 1 1 116 116 ARG CA C 116 59.500 59.500 59.130 0.370 18989 527 1 . 1 1 116 116 ARG CB C 116 30.000 30.000 29.854 0.146 18989 528 1 . 1 1 117 117 PHE N N 117 120.800 120.800 120.246 0.554 18989 529 1 . 1 1 117 117 PHE HA H 117 4.470 4.470 4.189 0.281 18989 530 1 . 1 1 117 117 PHE C C 117 178.100 178.100 177.188 0.912 18989 531 1 . 1 1 117 117 PHE CA C 117 61.200 61.200 61.446 -0.246 18989 532 1 . 1 1 117 117 PHE CB C 117 39.000 39.000 38.857 0.143 18989 533 1 . 1 1 118 118 PHE N N 118 119.600 119.600 116.871 2.729 18989 534 1 . 1 1 118 118 PHE HA H 118 4.230 4.230 4.250 -0.020 18989 535 1 . 1 1 118 118 PHE C C 118 178.500 178.500 177.747 0.753 18989 536 1 . 1 1 118 118 PHE CA C 118 62.300 62.300 61.625 0.674 18989 537 1 . 1 1 118 118 PHE CB C 118 39.200 39.200 38.659 0.541 18989 538 1 . 1 1 119 119 HIS N N 119 120.900 120.900 119.856 1.044 18989 539 1 . 1 1 119 119 HIS HA H 119 4.620 4.620 4.469 0.151 18989 540 1 . 1 1 119 119 HIS C C 119 178.500 178.500 177.099 1.401 18989 541 1 . 1 1 119 119 HIS CA C 119 59.900 59.900 59.497 0.403 18989 542 1 . 1 1 119 119 HIS CB C 119 29.700 29.700 30.199 -0.499 18989 543 1 . 1 1 120 120 ASP N N 120 120.400 120.400 118.998 1.402 18989 544 1 . 1 1 120 120 ASP HA H 120 4.330 4.330 4.407 -0.077 18989 545 1 . 1 1 120 120 ASP C C 120 177.500 177.500 177.689 -0.189 18989 546 1 . 1 1 120 120 ASP CA C 120 57.200 57.200 56.289 0.911 18989 547 1 . 1 1 120 120 ASP CB C 120 40.500 40.500 41.006 -0.506 18989 548 1 . 1 1 121 121 LYS N N 121 118.100 118.100 118.481 -0.381 18989 549 1 . 1 1 121 121 LYS HA H 121 3.810 3.810 3.922 -0.112 18989 550 1 . 1 1 121 121 LYS C C 121 178.200 178.200 177.584 0.616 18989 551 1 . 1 1 121 121 LYS CA C 121 58.100 58.100 57.946 0.154 18989 552 1 . 1 1 121 121 LYS CB C 121 33.200 33.200 32.701 0.499 18989 553 1 . 1 1 122 122 PHE N N 122 112.800 112.800 117.139 -4.339 18989 554 1 . 1 1 122 122 PHE HA H 122 4.680 4.680 4.552 0.128 18989 555 1 . 1 1 122 122 PHE C C 122 177.600 177.600 176.688 0.912 18989 556 1 . 1 1 122 122 PHE CA C 122 58.100 58.100 58.120 -0.020 18989 557 1 . 1 1 122 122 PHE CB C 122 40.000 40.000 39.782 0.218 18989 558 1 . 1 1 123 123 GLY N N 123 112.200 112.200 108.922 3.277 18989 559 1 . 1 1 123 123 GLY CA C 123 47.300 47.300 46.719 0.581 18989 560 1 . 1 1 124 124 ASP HA H 124 4.580 4.580 4.486 0.094 18989 561 1 . 1 1 124 124 ASP C C 124 177.700 177.700 178.002 -0.302 18989 562 1 . 1 1 124 124 ASP CA C 124 56.800 56.800 56.758 0.042 18989 563 1 . 1 1 124 124 ASP CB C 124 40.100 40.100 40.736 -0.636 18989 564 1 . 1 1 125 125 LYS N N 125 118.400 118.400 118.795 -0.395 18989 565 1 . 1 1 125 125 LYS HA H 125 4.670 4.670 4.282 0.388 18989 566 1 . 1 1 125 125 LYS C C 125 177.100 177.100 177.805 -0.705 18989 567 1 . 1 1 125 125 LYS CA C 125 56.000 56.000 57.604 -1.604 18989 568 1 . 1 1 125 125 LYS CB C 125 32.300 32.300 31.986 0.314 18989 569 1 . 1 1 126 126 SER N N 126 116.600 116.600 115.827 0.773 18989 570 1 . 1 1 126 126 SER HA H 126 3.830 3.830 4.388 -0.558 18989 571 1 . 1 1 126 126 SER C C 126 175.700 175.700 176.112 -0.412 18989 572 1 . 1 1 126 126 SER CA C 126 62.700 62.700 61.133 1.567 18989 573 1 . 1 1 126 126 SER CB C 126 63.000 63.000 62.723 0.277 18989 574 1 . 1 1 127 127 ILE N N 127 122.300 122.300 121.123 1.177 18989 575 1 . 1 1 127 127 ILE HA H 127 3.810 3.810 3.746 0.064 18989 576 1 . 1 1 127 127 ILE C C 127 178.500 178.500 177.626 0.874 18989 577 1 . 1 1 127 127 ILE CA C 127 65.000 65.000 64.619 0.381 18989 578 1 . 1 1 127 127 ILE CB C 127 36.800 36.800 37.607 -0.807 18989 579 1 . 1 1 128 128 GLU N N 128 120.500 120.500 119.321 1.179 18989 580 1 . 1 1 128 128 GLU HA H 128 4.100 4.100 3.989 0.111 18989 581 1 . 1 1 128 128 GLU C C 128 179.400 179.400 178.873 0.527 18989 582 1 . 1 1 128 128 GLU CA C 128 59.300 59.300 59.309 -0.009 18989 583 1 . 1 1 128 128 GLU CB C 128 29.700 29.700 29.095 0.605 18989 584 1 . 1 1 129 129 GLU N N 129 118.800 118.800 119.757 -0.957 18989 585 1 . 1 1 129 129 GLU HA H 129 3.910 3.910 3.920 -0.010 18989 586 1 . 1 1 129 129 GLU C C 129 179.900 179.900 178.864 1.036 18989 587 1 . 1 1 129 129 GLU CA C 129 59.000 59.000 58.857 0.143 18989 588 1 . 1 1 129 129 GLU CB C 129 29.200 29.200 29.118 0.082 18989 589 1 . 1 1 130 130 ILE N N 130 122.700 122.700 117.626 5.074 18989 590 1 . 1 1 130 130 ILE HA H 130 3.480 3.480 3.715 -0.235 18989 591 1 . 1 1 130 130 ILE C C 130 177.600 177.600 177.732 -0.132 18989 592 1 . 1 1 130 130 ILE CA C 130 66.400 66.400 64.341 2.059 18989 593 1 . 1 1 130 130 ILE CB C 130 38.300 38.300 37.712 0.588 18989 594 1 . 1 1 131 131 GLU N N 131 120.100 120.100 120.814 -0.714 18989 595 1 . 1 1 131 131 GLU HA H 131 4.390 4.390 3.960 0.430 18989 596 1 . 1 1 131 131 GLU C C 131 178.800 178.800 178.633 0.167 18989 597 1 . 1 1 131 131 GLU CA C 131 58.600 58.600 59.523 -0.923 18989 598 1 . 1 1 131 131 GLU CB C 131 28.900 28.900 29.250 -0.350 18989 599 1 . 1 1 132 132 LYS N N 132 118.300 118.300 119.305 -1.005 18989 600 1 . 1 1 132 132 LYS HA H 132 3.960 3.960 3.937 0.023 18989 601 1 . 1 1 132 132 LYS C C 132 180.400 180.400 179.273 1.127 18989 602 1 . 1 1 132 132 LYS CA C 132 60.300 60.300 59.359 0.941 18989 603 1 . 1 1 132 132 LYS CB C 132 32.700 32.700 32.278 0.422 18989 604 1 . 1 1 133 133 ARG N N 133 118.400 118.400 117.977 0.423 18989 605 1 . 1 1 133 133 ARG HA H 133 4.060 4.060 3.970 0.089 18989 606 1 . 1 1 133 133 ARG C C 133 178.600 178.600 178.545 0.055 18989 607 1 . 1 1 133 133 ARG CA C 133 58.000 58.000 58.694 -0.694 18989 608 1 . 1 1 133 133 ARG CB C 133 29.400 29.400 29.836 -0.436 18989 609 1 . 1 1 134 134 ARG N N 134 122.500 122.500 120.524 1.976 18989 610 1 . 1 1 134 134 ARG HA H 134 3.610 3.610 4.105 -0.495 18989 611 1 . 1 1 134 134 ARG C C 134 177.600 177.600 178.426 -0.826 18989 612 1 . 1 1 134 134 ARG CA C 134 59.400 59.400 59.216 0.184 18989 613 1 . 1 1 134 134 ARG CB C 134 31.000 31.000 30.073 0.927 18989 614 1 . 1 1 135 135 LEU N N 135 118.200 118.200 119.341 -1.141 18989 615 1 . 1 1 135 135 LEU HA H 135 3.810 3.810 3.965 -0.155 18989 616 1 . 1 1 135 135 LEU C C 135 179.700 179.700 178.709 0.991 18989 617 1 . 1 1 135 135 LEU CA C 135 57.700 57.700 57.482 0.218 18989 618 1 . 1 1 135 135 LEU CB C 135 41.400 41.400 41.652 -0.252 18989 619 1 . 1 1 136 136 ALA N N 136 120.400 120.400 120.604 -0.204 18989 620 1 . 1 1 136 136 ALA HA H 136 4.030 4.030 3.908 0.122 18989 621 1 . 1 1 136 136 ALA C C 136 180.500 180.500 178.935 1.565 18989 622 1 . 1 1 136 136 ALA CA C 136 54.700 54.700 54.775 -0.075 18989 623 1 . 1 1 136 136 ALA CB C 136 18.100 18.100 17.921 0.179 18989 624 1 . 1 1 137 137 ALA N N 137 123.200 123.200 120.913 2.287 18989 625 1 . 1 1 137 137 ALA HA H 137 3.900 3.900 3.790 0.110 18989 626 1 . 1 1 137 137 ALA C C 137 178.700 178.700 179.172 -0.472 18989 627 1 . 1 1 137 137 ALA CA C 137 55.300 55.300 54.331 0.969 18989 628 1 . 1 1 137 137 ALA CB C 137 15.800 15.800 17.992 -2.192 18989 629 1 . 1 1 138 138 ILE N N 138 115.400 115.400 117.262 -1.862 18989 630 1 . 1 1 138 138 ILE HA H 138 2.830 2.830 2.845 -0.015 18989 631 1 . 1 1 138 138 ILE C C 138 177.800 177.800 177.465 0.335 18989 632 1 . 1 1 138 138 ILE CA C 138 64.200 64.200 64.031 0.169 18989 633 1 . 1 1 138 138 ILE CB C 138 37.400 37.400 37.420 -0.020 18989 634 1 . 1 1 139 139 THR N N 139 109.500 109.500 114.196 -4.696 18989 635 1 . 1 1 139 139 THR HA H 139 4.150 4.150 4.211 -0.061 18989 636 1 . 1 1 139 139 THR C C 139 177.300 177.300 176.395 0.905 18989 637 1 . 1 1 139 139 THR CA C 139 64.000 64.000 65.703 -1.703 18989 638 1 . 1 1 139 139 THR CB C 139 69.600 69.600 69.106 0.494 18989 639 1 . 1 1 140 140 GLY N N 140 110.800 110.800 110.072 0.728 18989 640 1 . 1 1 140 140 GLY C C 140 176.700 176.700 175.822 0.878 18989 641 1 . 1 1 140 140 GLY CA C 140 46.800 46.800 46.543 0.257 18989 642 1 . 1 1 141 141 ILE N N 141 122.700 122.700 122.413 0.287 18989 643 1 . 1 1 141 141 ILE HA H 141 4.160 4.160 4.051 0.109 18989 644 1 . 1 1 141 141 ILE CA C 141 68.300 68.300 66.775 1.525 18989 645 1 . 1 1 141 141 ILE CB C 141 36.300 36.300 35.980 0.320 18989 646 1 . 1 1 142 142 PRO HA H 142 4.350 4.350 4.456 -0.106 18989 647 1 . 1 1 142 142 PRO C C 142 179.300 179.300 179.138 0.162 18989 648 1 . 1 1 142 142 PRO CA C 142 66.700 66.700 65.913 0.787 18989 649 1 . 1 1 142 142 PRO CB C 142 31.200 31.200 31.060 0.140 18989 650 1 . 1 1 143 143 GLU N N 143 113.900 113.900 118.927 -5.027 18989 651 1 . 1 1 143 143 GLU HA H 143 4.170 4.170 4.082 0.088 18989 652 1 . 1 1 143 143 GLU C C 143 179.600 179.600 178.936 0.664 18989 653 1 . 1 1 143 143 GLU CA C 143 59.300 59.300 59.474 -0.174 18989 654 1 . 1 1 143 143 GLU CB C 143 30.000 30.000 29.084 0.916 18989 655 1 . 1 1 144 144 THR N N 144 119.900 119.900 117.528 2.372 18989 656 1 . 1 1 144 144 THR HA H 144 4.290 4.290 4.082 0.208 18989 657 1 . 1 1 144 144 THR C C 144 175.800 175.800 176.872 -1.072 18989 658 1 . 1 1 144 144 THR CA C 144 67.000 67.000 66.604 0.396 18989 659 1 . 1 1 144 144 THR CB C 144 69.500 69.500 68.656 0.844 18989 660 1 . 1 1 145 145 LEU N N 145 120.300 120.300 121.546 -1.246 18989 661 1 . 1 1 145 145 LEU HA H 145 3.910 3.910 4.097 -0.187 18989 662 1 . 1 1 145 145 LEU C C 145 178.700 178.700 178.735 -0.035 18989 663 1 . 1 1 145 145 LEU CA C 145 58.600 58.600 58.024 0.576 18989 664 1 . 1 1 145 145 LEU CB C 145 40.500 40.500 40.760 -0.260 18989 665 1 . 1 1 146 146 VAL N N 146 117.600 117.600 118.457 -0.857 18989 666 1 . 1 1 146 146 VAL HA H 146 3.680 3.680 3.725 -0.045 18989 667 1 . 1 1 146 146 VAL C C 146 177.700 177.700 178.122 -0.422 18989 668 1 . 1 1 146 146 VAL CA C 146 66.100 66.100 66.116 -0.016 18989 669 1 . 1 1 146 146 VAL CB C 146 32.000 32.000 30.987 1.013 18989 670 1 . 1 1 147 147 ALA N N 147 123.600 123.600 123.298 0.302 18989 671 1 . 1 1 147 147 ALA HA H 147 4.230 4.230 4.065 0.165 18989 672 1 . 1 1 147 147 ALA C C 147 180.400 180.400 179.750 0.650 18989 673 1 . 1 1 147 147 ALA CA C 147 55.600 55.600 55.332 0.268 18989 674 1 . 1 1 147 147 ALA CB C 147 18.800 18.800 18.162 0.638 18989 675 1 . 1 1 148 148 ILE N N 148 119.600 119.600 119.292 0.308 18989 676 1 . 1 1 148 148 ILE HA H 148 3.310 3.310 3.611 -0.301 18989 677 1 . 1 1 148 148 ILE C C 148 177.100 177.100 177.966 -0.866 18989 678 1 . 1 1 148 148 ILE CA C 148 66.300 66.300 65.309 0.991 18989 679 1 . 1 1 148 148 ILE CB C 148 38.200 38.200 37.786 0.414 18989 680 1 . 1 1 149 149 GLN N N 149 119.200 119.200 119.418 -0.218 18989 681 1 . 1 1 149 149 GLN HA H 149 3.670 3.670 3.901 -0.231 18989 682 1 . 1 1 149 149 GLN C C 149 178.000 178.000 178.072 -0.072 18989 683 1 . 1 1 149 149 GLN CA C 149 60.100 60.100 59.395 0.705 18989 684 1 . 1 1 149 149 GLN CB C 149 29.600 29.600 28.699 0.901 18989 685 1 . 1 1 150 150 ARG N N 150 120.500 120.500 119.726 0.774 18989 686 1 . 1 1 150 150 ARG HA H 150 4.050 4.050 4.168 -0.118 18989 687 1 . 1 1 150 150 ARG C C 150 179.000 179.000 178.768 0.232 18989 688 1 . 1 1 150 150 ARG CA C 150 59.300 59.300 58.983 0.317 18989 689 1 . 1 1 150 150 ARG CB C 150 30.000 30.000 29.916 0.084 18989 690 1 . 1 1 151 151 ILE N N 151 119.100 119.100 120.021 -0.921 18989 691 1 . 1 1 151 151 ILE HA H 151 3.650 3.650 3.800 -0.150 18989 692 1 . 1 1 151 151 ILE C C 151 178.500 178.500 177.427 1.073 18989 693 1 . 1 1 151 151 ILE CA C 151 65.300 65.300 64.095 1.205 18989 694 1 . 1 1 151 151 ILE CB C 151 39.000 39.000 38.002 0.998 18989 695 1 . 1 1 152 152 LEU N N 152 117.100 117.100 119.701 -2.601 18989 696 1 . 1 1 152 152 LEU HA H 152 4.080 4.080 3.922 0.158 18989 697 1 . 1 1 152 152 LEU C C 152 178.700 178.700 178.968 -0.268 18989 698 1 . 1 1 152 152 LEU CA C 152 57.000 57.000 57.891 -0.891 18989 699 1 . 1 1 152 152 LEU CB C 152 42.900 42.900 41.523 1.377 18989 700 1 . 1 1 153 153 GLU N N 153 117.800 117.800 119.318 -1.518 18989 701 1 . 1 1 153 153 GLU HA H 153 4.170 4.170 3.991 0.179 18989 702 1 . 1 1 153 153 GLU C C 153 178.300 178.300 179.168 -0.868 18989 703 1 . 1 1 153 153 GLU CA C 153 58.700 58.700 59.409 -0.709 18989 704 1 . 1 1 153 153 GLU CB C 153 29.300 29.300 29.624 -0.324 18989 705 1 . 1 1 154 154 VAL N N 154 119.500 119.500 118.857 0.643 18989 706 1 . 1 1 154 154 VAL HA H 154 4.000 4.000 3.770 0.230 18989 707 1 . 1 1 154 154 VAL C C 154 177.500 177.500 177.999 -0.499 18989 708 1 . 1 1 154 154 VAL CA C 154 64.700 64.700 66.117 -1.417 18989 709 1 . 1 1 154 154 VAL CB C 154 32.200 32.200 31.591 0.609 18989 710 1 . 1 1 155 155 GLU N N 155 121.300 121.300 119.278 2.022 18989 711 1 . 1 1 155 155 GLU HA H 155 4.180 4.180 4.083 0.097 18989 712 1 . 1 1 155 155 GLU C C 155 177.600 177.600 178.441 -0.841 18989 713 1 . 1 1 155 155 GLU CA C 155 58.000 58.000 58.239 -0.239 18989 714 1 . 1 1 155 155 GLU CB C 155 29.700 29.700 29.464 0.236 18989 715 1 . 1 1 156 156 LEU N N 156 120.800 120.800 118.341 2.459 18989 716 1 . 1 1 156 156 LEU HA H 156 4.230 4.230 4.112 0.118 18989 717 1 . 1 1 156 156 LEU C C 156 178.000 178.000 178.326 -0.326 18989 718 1 . 1 1 156 156 LEU CA C 156 56.200 56.200 57.007 -0.807 18989 719 1 . 1 1 156 156 LEU CB C 156 42.300 42.300 42.195 0.105 18989 720 1 . 1 1 157 157 GLU N N 157 119.700 119.700 116.172 3.527 18989 721 1 . 1 1 157 157 GLU HA H 157 4.130 4.130 4.269 -0.139 18989 722 1 . 1 1 157 157 GLU C C 157 177.000 177.000 176.777 0.223 18989 723 1 . 1 1 157 157 GLU CA C 157 57.400 57.400 56.640 0.760 18989 724 1 . 1 1 157 157 GLU CB C 157 29.800 29.800 30.354 -0.554 18989 725 1 . 1 1 158 158 HIS N N 158 117.700 117.700 118.363 -0.663 18989 726 1 . 1 1 158 158 HIS HA H 158 4.630 4.630 4.373 0.257 18989 727 1 . 1 1 158 158 HIS C C 158 173.900 173.900 174.695 -0.795 18989 728 1 . 1 1 158 158 HIS CA C 158 56.000 56.000 56.575 -0.575 18989 729 1 . 1 1 158 158 HIS CB C 158 30.000 30.000 29.236 0.764 18989 730 1 . 1 1 159 159 HIS N N 159 125.200 125.200 119.013 6.187 18989 731 1 . 1 1 159 159 HIS HA H 159 4.440 4.440 4.341 0.099 18989 732 1 . 1 1 159 159 HIS CA C 159 57.300 57.300 56.725 0.575 18989 733 1 . 1 1 159 159 HIS CB C 159 28.800 28.800 28.849 -0.049 18989 stop_ save_