*HEADER    HYDROLASE INHIBITOR                     30-MAY-07   2V1V
*TITLE     3D STRUCTURE OF THE M8L MUTANT OF SQUASH TRYPSIN INHIBITOR
*TITLE    2 CMTI-I
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE:  TRYPSIN INHIBITOR 1;
*COMPND   3 SYNONYM: TRYPSIN INHIBITOR I, CMTI-I, ITD-I;
*COMPND   4 CHAIN: A;
*COMPND   5 MUTATION: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: CUCURBITA MAXIMA;
*SOURCE   4 ORGANISM_COMMON: PUMPKIN
*KEYWDS    SERINE PROTEASE INHIBITOR, HYDROLASE INHIBITOR
*KEYWDS   2 HYDROLASE, TRYPSIN INHIBITOR, PROTEASE INHIBITOR
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    P.SLEDZ,K.BOLEWSKA,A.BIERZYNSKI,I.ZHUKOV




assign ( resid  10 and name HA   ) ( resid  11 and name HN   )  3.30  1.50  0.40 
assign ( resid  11 and name HN   ) ( resid  12 and name HN   )  3.30  1.50  0.40 
assign ( resid  13 and name HA   ) ( resid  22 and name HB1  )  3.30  1.50  0.20 
assign ( resid  13 and name HB2  ) ( resid  21 and name HB   )  3.30  1.50  0.20 
assign ( resid  15 and name HA   ) ( resid  15 and name HB#  )  3.30  1.50  0.20 
assign ( resid  16 and name HB2  ) ( resid  17 and name HN   )  3.30  1.50  0.40 
assign ( resid  17 and name HA   ) ( resid  18 and name HN   )  3.30  1.50  0.40 
assign ( resid  20 and name HA   ) ( resid  20 and name HB#  )  3.30  1.50  0.20 
assign ( resid  20 and name HA   ) ( resid  21 and name HN   )  3.30  1.50  0.40 
assign ( resid  20 and name HB#  ) ( resid  21 and name HN   )  3.30  1.50  0.40 
assign ( resid  23 and name HA   ) ( resid  23 and name HB2  )  3.30  1.50  0.40 
assign ( resid  23 and name HN   ) ( resid  23 and name HG   )  3.30  1.50  0.40 
assign ( resid  24 and name HN   ) ( resid  24 and name HB2  )  3.30  1.50  0.40 
assign ( resid  26 and name HN   ) ( resid  27 and name HN   )  3.30  1.50  0.40 
assign ( resid  28 and name HA   ) ( resid  29 and name HN   )  3.30  1.50  0.40 
assign ( resid   2 and name HA   ) ( resid   3 and name HN   )  3.30  1.50  0.40 
assign ( resid   3 and name HA   ) ( resid   4 and name HD1  )  3.30  1.50  0.20 
assign ( resid   3 and name HA   ) ( resid   4 and name HD2  )  3.30  1.50  0.20 
assign ( resid   4 and name HA   ) ( resid   5 and name HN   )  3.30  1.50  0.40 
assign ( resid   4 and name HB1  ) ( resid   5 and name HN   )  3.30  1.50  0.40 
assign ( resid   5 and name HA   ) ( resid   6 and name HN   )  3.30  1.50  0.40 
assign ( resid   6 and name HA   ) ( resid   7 and name HN   )  3.30  1.50  0.40 
assign ( resid   9 and name HA   ) ( resid  10 and name HN   )  3.30  1.50  0.40 
assign ( resid   9 and name HA   ) ( resid  27 and name HA   )  3.30  1.50  0.20 
assign ( resid  10 and name HB1  ) ( resid  11 and name HN   )  4.50  2.70  0.50 
assign ( resid  10 and name HB2  ) ( resid  11 and name HN   )  4.50  2.70  0.50 
assign ( resid  10 and name HN   ) ( resid  22 and name HB1  )  4.50  2.70  0.50 
assign ( resid  10 and name HN   ) ( resid  22 and name HB2  )  4.50  2.70  0.50 
assign ( resid  10 and name HN   ) ( resid  27 and name HA   )  4.50  2.70  0.50 
assign ( resid  11 and name HB#  ) ( resid  12 and name HN   )  4.50  2.70  0.50 
assign ( resid  12 and name HB1  ) ( resid  13 and name HN   )  4.50  2.70  0.50 
assign ( resid  12 and name HB2  ) ( resid  13 and name HN   )  4.50  2.70  0.50 
assign ( resid  12 and name HB2  ) ( resid  15 and name HN   )  4.50  2.70  0.50 
assign ( resid  12 and name HD#  ) ( resid  15 and name HN   )  4.50  2.70  0.50 
assign ( resid  12 and name HG1  ) ( resid  15 and name HN   )  4.50  2.70  0.50 
assign ( resid  12 and name HG2  ) ( resid  15 and name HN   )  4.50  2.70  0.50 
assign ( resid  12 and name HG#  ) ( resid  14 and name HB#  )  4.50  2.70  0.50 
assign ( resid  12 and name HG#  ) ( resid  15 and name HA   )  4.50  2.70  0.50 
assign ( resid  12 and name HG#  ) ( resid  15 and name HN   )  4.50  2.70  0.50 
assign ( resid  12 and name HN   ) ( resid  22 and name HB1  )  4.50  2.70  0.50 
assign ( resid  13 and name HA   ) ( resid  16 and name HB1  )  4.50  2.70  0.50 
assign ( resid  13 and name HA   ) ( resid  21 and name HB   )  4.50  2.70  0.50 
assign ( resid  13 and name HA   ) ( resid  21 and name HG1# )  4.50  2.70  0.50 
assign ( resid  13 and name HA   ) ( resid  21 and name HG2# )  4.50  2.70  0.50 
assign ( resid  13 and name HA   ) ( resid  22 and name HA   )  4.50  2.70  0.50 
assign ( resid  13 and name HA   ) ( resid  22 and name HN   )  4.50  2.70  0.50 
assign ( resid  13 and name HB1  ) ( resid  14 and name HN   )  4.50  2.70  0.50 
assign ( resid  13 and name HB2  ) ( resid  14 and name HA   )  4.50  2.70  0.50 
assign ( resid  13 and name HB2  ) ( resid  14 and name HN   )  4.50  2.70  0.50 
assign ( resid  13 and name HB2  ) ( resid  21 and name HA   )  4.50  2.70  0.50 
assign ( resid  13 and name HB2  ) ( resid  21 and name HG1# )  4.50  2.70  0.50 
assign ( resid  13 and name HN   ) ( resid  14 and name HN   )  4.50  2.70  0.50 
assign ( resid  13 and name HN   ) ( resid  22 and name HB1  )  4.50  2.70  0.50 
assign ( resid  14 and name HA   ) ( resid  16 and name HN   )  4.50  2.70  0.50 
assign ( resid  14 and name HB#  ) ( resid  15 and name HN   )  4.50  2.70  0.50 
assign ( resid  14 and name HN   ) ( resid  15 and name HN   )  4.50  2.70  0.50 
assign ( resid  15 and name HN   ) ( resid  22 and name HB1  )  4.50  2.70  0.50 
assign ( resid  16 and name HB1  ) ( resid  21 and name HA   )  4.50  2.70  0.50 
assign ( resid  16 and name HB1  ) ( resid  21 and name HN   )  4.50  2.70  0.50 
assign ( resid  16 and name HB2  ) ( resid  20 and name HN   )  4.50  2.70  0.50 
assign ( resid  16 and name HB2  ) ( resid  21 and name HA   )  4.50  2.70  0.50 
assign ( resid  16 and name HN   ) ( resid  22 and name HB1  )  4.50  2.70  0.50 
assign ( resid  17 and name HB1  ) ( resid  18 and name HN   )  4.50  2.70  0.50 
assign ( resid  17 and name HN   ) ( resid  18 and name HN   )  4.50  2.70  0.50 
assign ( resid  17 and name HN   ) ( resid  20 and name HB#  )  4.50  2.70  0.50 
assign ( resid  17 and name HN   ) ( resid  20 and name HN   )  4.50  2.70  0.50 
assign (( resid  17 and name HD1#) or ( resid  17 and name HD2#)) ( resid  19 and name HN   )  4.50  2.70  0.50 
assign ( resid  18 and name HB#  ) ( resid  20 and name HN   )  4.50  2.70  0.50 
assign ( resid  20 and name HA   ) ( resid  21 and name HG1# )  4.50  2.70  0.50 
assign ( resid  20 and name HA   ) ( resid  21 and name HG2# )  4.50  2.70  0.50 
assign ( resid  20 and name HB#  ) ( resid  21 and name HA   )  4.50  2.70  0.50 
assign ( resid  20 and name HB#  ) ( resid  21 and name HG1# )  4.50  2.70  0.50 
assign ( resid  20 and name HB#  ) ( resid  21 and name HG2# )  4.50  2.70  0.50 
assign ( resid  20 and name HB#  ) ( resid  28 and name HA   )  4.50  2.70  0.50 
assign ( resid  20 and name HB#  ) ( resid  29 and name HN   )  4.50  2.70  0.50 
assign ( resid  20 and name HN   ) ( resid  21 and name HN   )  4.50  2.70  0.50 
assign ( resid  21 and name HA   ) ( resid  22 and name HN   )  4.50  2.70  0.50 
assign ( resid  21 and name HB   ) ( resid  22 and name HN   )  4.50  2.70  0.50 
assign ( resid  21 and name HG1# ) ( resid  22 and name HN   )  4.50  2.70  0.50 
assign ( resid  21 and name HG2# ) ( resid  22 and name HN   )  4.50  2.70  0.50 
assign ( resid  21 and name HG2# ) ( resid  23 and name HN   )  4.50  2.70  0.50 
assign ( resid  21 and name HG2# ) ( resid  29 and name HN   )  4.50  2.70  0.50 
assign ( resid  21 and name HN   ) ( resid  28 and name HA   )  4.50  2.70  0.50 
assign ( resid  21 and name HN   ) ( resid  29 and name HN   )  4.50  2.70  0.50 
assign ( resid  22 and name HA   ) ( resid  28 and name HA   )  4.50  2.70  0.50 
assign ( resid  22 and name HA   ) ( resid  29 and name HN   )  4.50  2.70  0.50 
assign ( resid  22 and name HN   ) ( resid  23 and name HD2# )  4.50  2.70  1.00 
assign ( resid  22 and name HN   ) ( resid  23 and name HN   )  4.50  2.70  0.50 
assign ( resid  22 and name HN   ) ( resid  28 and name HA   )  4.50  2.70  0.50 
assign ( resid  23 and name HA   ) ( resid  24 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HA   ) ( resid  27 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HB1  ) ( resid  25 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HB1  ) ( resid  27 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HB2  ) ( resid  24 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HB2  ) ( resid  25 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HB2  ) ( resid  26 and name HA2  )  4.50  2.70  0.50 
assign ( resid  23 and name HD1# ) ( resid  25 and name HE1  )  4.50  2.70  0.50 
assign ( resid  23 and name HD1# ) ( resid  25 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HD1# ) ( resid  27 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HD1# ) ( resid  29 and name HA2  )  4.50  2.70  0.50 
assign ( resid  23 and name HD1# ) ( resid  29 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HD2# ) ( resid  24 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HD2# ) ( resid  29 and name HA2  )  4.50  2.70  0.50 
assign ( resid  23 and name HD2# ) ( resid  29 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HG   ) ( resid  27 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HG   ) ( resid  29 and name HA1  )  4.50  2.70  0.50 
assign ( resid  23 and name HG   ) ( resid  29 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HN   ) ( resid  26 and name HA2  )  4.50  2.70  0.50 
assign ( resid  23 and name HN   ) ( resid  27 and name HA   )  4.50  2.70  0.50 
assign ( resid  23 and name HN   ) ( resid  27 and name HN   )  4.50  2.70  0.50 
assign ( resid  23 and name HN   ) ( resid  28 and name HA   )  4.50  2.70  0.50 
assign ( resid  23 and name HN   ) ( resid  29 and name HN   )  4.50  2.70  0.50 
assign ( resid  24 and name HG#  ) ( resid  25 and name HE1  )  4.50  2.70  0.50 
assign ( resid  24 and name HN   ) ( resid  25 and name HN   )  4.50  2.70  0.50 
assign ( resid  25 and name HA   ) ( resid  26 and name HA2  )  4.50  2.70  0.50 
assign ( resid  25 and name HB1  ) ( resid  26 and name HN   )  4.50  2.70  0.50 
assign ( resid  25 and name HN   ) ( resid  25 and name HE1  )  4.50  2.70  0.50 
assign ( resid  25 and name HN   ) ( resid  26 and name HA2  )  4.50  2.70  0.50 
assign ( resid  25 and name HN   ) ( resid  26 and name HN   )  4.50  2.70  0.50 
assign ( resid  25 and name HN   ) ( resid  27 and name HN   )  4.50  2.70  0.50 
assign ( resid  26 and name HA1  ) ( resid  27 and name HN   )  4.50  2.70  0.50 
assign ( resid  26 and name HA2  ) ( resid  27 and name HN   )  4.50  2.70  0.50 
assign ( resid  27 and name HB1  ) ( resid  28 and name HN   )  4.50  2.70  0.50 
assign ( resid  27 and name HB2  ) ( resid  28 and name HN   )  4.50  2.70  0.50 
assign ( resid  27 and name HN   ) ( resid  28 and name HN   )  4.50  2.70  0.50 
assign ( resid  28 and name HB2  ) ( resid  29 and name HN   )  4.50  2.70  0.50 
assign ( resid  28 and name HN   ) ( resid  29 and name HN   )  4.50  2.70  0.50 
assign ( resid   2 and name HB   ) ( resid   3 and name HN   )  4.50  2.70  0.50 
assign ( resid   2 and name HG1# ) ( resid   3 and name HN   )  4.50  2.70  0.50 
assign ( resid   3 and name HA   ) ( resid  18 and name HB#  )  4.50  2.70  0.50 
assign ( resid   3 and name HA   ) ( resid   4 and name HG#  )  4.50  2.70  0.50 
assign ( resid   3 and name HB1  ) ( resid   4 and name HD2  )  4.50  2.70  0.50 
assign ( resid   4 and name HB1  ) ( resid   6 and name HN   )  4.50  2.70  0.50 
assign ( resid   4 and name HB2  ) ( resid  17 and name HD1# )  4.50  2.70  0.50 
assign ( resid   4 and name HB2  ) ( resid  17 and name HD2# )  4.50  2.70  1.00 
assign ( resid   4 and name HB2  ) (( resid  17 and name HD1#) or (resid  17 and name HD2#))  4.50  2.70  0.50 
assign ( resid   4 and name HB2  ) ( resid   6 and name HG1# )  4.50  2.70  0.50 
assign ( resid   4 and name HD1  ) (( resid  17 and name HD1#) or (resid  17 and name HD2#))  4.50  2.70  0.50 
assign ( resid   4 and name HD1  ) ( resid  18 and name HB#  )  4.50  2.70  0.50 
assign ( resid   4 and name HD2  ) ( resid  17 and name HD1# )  4.50  2.70  0.50 
assign ( resid   4 and name HD2  ) ( resid  17 and name HD2# )  4.50  2.70  1.00 
assign ( resid   4 and name HD2  ) ( resid  17 and name HG   )  4.50  2.70  0.50 
assign ( resid   4 and name HD2  ) (( resid  17 and name HD1#) or (resid  17 and name HD2#))  4.50  2.70  0.50 
assign ( resid   4 and name HD2  ) ( resid  18 and name HB#  )  4.50  2.70  0.50 
assign ( resid   5 and name HB#  ) ( resid   6 and name HN   )  4.50  2.70  0.50 
assign ( resid   5 and name HN   ) ( resid   6 and name HN   )  4.50  2.70  0.50 
assign ( resid   6 and name HA   ) ( resid   7 and name HB#  )  4.50  2.70  0.50 
assign ( resid   6 and name HN   ) ( resid   6 and name HG1# )  4.50  2.70  0.50 
assign ( resid   6 and name HN   ) ( resid   7 and name HN   )  4.50  2.70  0.50 
assign ( resid   7 and name HN   ) ( resid   8 and name HN   )  4.50  2.70  0.50 
assign (( resid   7 and name HD1#) or ( resid   7 and name HD2#)) ( resid  27 and name HB2  )  4.50  2.70  0.50 
assign (( resid   7 and name HD1#) or ( resid   7 and name HD2#)) ( resid   8 and name HA   )  4.50  2.70  0.50 
assign (( resid   7 and name HD1#) or ( resid   7 and name HD2#)) ( resid   8 and name HN   )  4.50  2.70  0.50 
assign ( resid   8 and name HA   ) (( resid   8 and name HD1#) or (resid   8 and name HD2#))  4.50  2.70  0.50 
assign ( resid   8 and name HA   ) ( resid   9 and name HA   )  4.50  2.70  0.50 
assign ( resid   8 and name HB1  ) ( resid  28 and name HB2  )  4.50  2.70  0.50 
assign ( resid   8 and name HB1  ) ( resid  28 and name HN   )  4.50  2.70  0.50 
assign ( resid   8 and name HB1  ) ( resid   9 and name HN   )  4.50  2.70  0.50 
assign ( resid   8 and name HB2  ) ( resid  28 and name HB1  )  4.50  2.70  0.50 
assign ( resid   8 and name HB2  ) ( resid  28 and name HN   )  4.50  2.70  0.50 
assign ( resid   8 and name HB2  ) ( resid   9 and name HN   )  4.50  2.70  0.50 
assign ( resid   8 and name HD1# ) ( resid  28 and name HB1  )  4.50  2.70  0.50 
assign ( resid   8 and name HD1# ) ( resid   9 and name HN   )  4.50  2.70  0.50 
assign ( resid   8 and name HD2# ) ( resid  28 and name HB1  )  4.50  2.70  0.50 
assign ( resid   8 and name HD2# ) ( resid   9 and name HN   )  4.50  2.70  0.50 
assign ( resid   8 and name HN   ) ( resid  27 and name HB2  )  4.50  2.70  0.50 
assign ( resid   8 and name HN   ) ( resid  28 and name HB2  )  4.50  2.70  0.50 
assign ( resid   8 and name HN   ) ( resid  28 and name HN   )  4.50  2.70  0.50 
assign ( resid   8 and name HN   ) (( resid   8 and name HD1#) or (resid   8 and name HD2#))  4.50  2.70  0.50 
assign ( resid   8 and name HN   ) ( resid   9 and name HN   )  4.50  2.70  0.50 
assign (( resid   8 and name HD1#) or ( resid   8 and name HD2#)) ( resid  15 and name HB#  )  4.50  2.70  0.50 
assign (( resid   8 and name HD1#) or ( resid   8 and name HD2#)) ( resid  17 and name HN   )  4.50  2.70  0.50 
assign (( resid   8 and name HD1#) or ( resid   8 and name HD2#)) ( resid  28 and name HA   )  4.50  2.70  0.50 
assign (( resid   8 and name HD1#) or ( resid   8 and name HD2#)) ( resid  28 and name HB1  )  4.50  2.70  0.50 
assign (( resid   8 and name HD1#) or ( resid   8 and name HD2#)) ( resid   9 and name HN   )  4.50  2.70  0.50 
assign ( resid   9 and name HA   ) ( resid  27 and name HB2  )  4.50  2.70  0.50 
assign ( resid   9 and name HA   ) ( resid  27 and name HN   )  4.50  2.70  0.50 
assign ( resid   9 and name HA   ) ( resid  28 and name HN   )  4.50  2.70  0.50 
assign ( resid   9 and name HB#  ) ( resid  27 and name HA   )  4.50  2.70  0.50 
assign ( resid   9 and name HB#  ) ( resid  27 and name HN   )  4.50  2.70  0.50 
assign ( resid   9 and name HN   ) ( resid  10 and name HN   )  4.50  2.70  0.50 
assign ( resid  10 and name HB2  ) ( resid  22 and name HB1  )  5.20  3.40  0.80 
assign ( resid  10 and name HN   ) ( resid  28 and name HN   )  5.20  3.40  0.80 
assign ( resid  11 and name HA   ) ( resid  24 and name HA   )  5.20  3.40  0.80 
assign ( resid  11 and name HB#  ) ( resid  24 and name HA   )  5.20  3.40  0.80 
assign ( resid  13 and name HB2  ) ( resid  22 and name HN   )  5.20  3.40  0.80 
assign ( resid  14 and name HA   ) ( resid  15 and name HA   )  5.20  3.40  0.80 
assign ( resid  14 and name HN   ) ( resid  21 and name HB   )  5.20  3.40  0.80 
assign ( resid  16 and name HB1  ) ( resid  29 and name HN   )  5.20  3.40  0.80 
assign ( resid  16 and name HB2  ) ( resid  20 and name HA   )  5.20  3.40  0.80 
assign ( resid  16 and name HB2  ) ( resid  21 and name HN   )  5.20  3.40  0.80 
assign ( resid  16 and name HB2  ) ( resid  22 and name HN   )  5.20  3.40  0.80 
assign ( resid  16 and name HN   ) ( resid  20 and name HB#  )  5.20  3.40  0.80 
assign (( resid  17 and name HD1#) or ( resid  17 and name HD2#)) ( resid  18 and name HN   )  5.20  3.40  0.80 
assign ( resid  20 and name HA   ) ( resid  29 and name HN   )  5.20  3.40  0.80 
assign ( resid  20 and name HB#  ) ( resid  29 and name HA1  )  5.20  3.40  0.80 
assign ( resid  21 and name HA   ) ( resid  22 and name HB1  )  5.20  3.40  0.80 
assign ( resid  21 and name HA   ) ( resid  29 and name HN   )  5.20  3.40  0.80 
assign ( resid  21 and name HB   ) ( resid  23 and name HN   )  5.20  3.40  0.80 
assign ( resid  21 and name HG2# ) ( resid  28 and name HA   )  5.20  3.40  0.80 
assign ( resid  22 and name HB1  ) ( resid  23 and name HN   )  5.20  3.40  0.80 
assign ( resid  23 and name HB1  ) ( resid  25 and name HE1  )  5.20  3.40  0.80 
assign ( resid  23 and name HB1  ) ( resid  26 and name HN   )  5.20  3.40  0.80 
assign ( resid  23 and name HB2  ) ( resid  25 and name HE1  )  5.20  3.40  0.80 
assign ( resid  23 and name HD1# ) ( resid  24 and name HN   )  5.20  3.40  0.80 
assign ( resid  23 and name HD2# ) ( resid  25 and name HE1  )  5.20  3.40  0.80 
assign ( resid  23 and name HD2# ) ( resid  25 and name HN   )  5.20  3.40  0.80 
assign ( resid  23 and name HD2# ) ( resid  27 and name HN   )  5.20  3.40  0.80 
assign ( resid  23 and name HG   ) ( resid  24 and name HN   )  5.20  3.40  0.80 
assign ( resid  23 and name HG   ) ( resid  25 and name HN   )  5.20  3.40  0.80 
assign ( resid  23 and name HN   ) ( resid  24 and name HN   )  5.20  3.40  0.80 
assign ( resid  23 and name HN   ) ( resid  28 and name HN   )  5.20  3.40  0.80 
assign ( resid  24 and name HN   ) ( resid  26 and name HN   )  5.20  3.40  0.80 
assign ( resid  25 and name HA   ) ( resid  27 and name HN   )  5.20  3.40  0.80 
assign ( resid  26 and name HN   ) ( resid  27 and name HB1  )  5.20  3.40  0.80 
assign ( resid  28 and name HB1  ) ( resid  29 and name HN   )  5.20  3.40  0.80 
assign ( resid   2 and name HA   ) ( resid  18 and name HB#  )  5.20  3.40  0.80 
assign ( resid   2 and name HG1# ) ( resid   3 and name HA   )  5.20  3.40  0.80 
assign ( resid   3 and name HA   ) (( resid  17 and name HD1#) or (resid  17 and name HD2#))  5.20  3.40  0.80 
assign ( resid   3 and name HB2  ) ( resid   4 and name HD2  )  5.20  3.40  0.80 
assign ( resid   3 and name HN   ) ( resid   4 and name HD1  )  5.20  3.40  0.80 
assign ( resid   3 and name HN   ) ( resid   4 and name HD2  )  5.20  3.40  0.80 
assign ( resid   4 and name HB2  ) ( resid   6 and name HN   )  5.20  3.40  0.80 
assign ( resid   4 and name HD2  ) ( resid  18 and name HN   )  5.20  3.40  0.80 
assign ( resid   6 and name HA   ) ( resid   7 and name HG   )  5.20  3.40  0.80 
assign ( resid   7 and name HG   ) ( resid   8 and name HN   )  5.20  3.40  0.80 
assign (( resid   7 and name HD1#) or ( resid   7 and name HD2#)) ( resid  27 and name HB1  )  5.20  3.40  0.80 
assign ( resid   8 and name HD1# ) ( resid  28 and name HB2  )  5.20  3.40  0.80 
assign ( resid   8 and name HD1# ) ( resid  28 and name HN   )  5.20  3.40  0.80 
assign ( resid   8 and name HD2# ) ( resid  28 and name HB2  )  5.20  3.40  0.80 
assign ( resid   8 and name HD2# ) ( resid  28 and name HN   )  5.20  3.40  0.80 
assign ( resid   8 and name HN   ) ( resid   8 and name HD1# )  5.20  3.40  0.80 
assign ( resid   8 and name HN   ) ( resid   8 and name HD2# )  5.20  3.40  1.30 
assign (( resid   8 and name HD1#) or ( resid   8 and name HD2#)) ( resid  16 and name HN   )  5.20  3.40  0.80 
assign ( resid   9 and name HG#  ) ( resid  10 and name HN   )  5.20  3.40  0.80 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1          2HT       ARG   1 -11.843   5.079   3.157
    2    H2   ARG   1          1HT       ARG   1 -11.189   5.844   1.767
    3    H3   ARG   1          3HT       ARG   1 -12.885   5.828   2.018
    4    HA   ARG   1           HA       ARG   1 -13.084   3.627   1.544
    5   1HB   ARG   1          2HB       ARG   1 -11.415   5.292  -0.185
    6   2HB   ARG   1          1HB       ARG   1 -11.198   3.573  -0.487
    7   1HG   ARG   1          2HG       ARG   1 -12.896   4.169  -1.944
    8   2HG   ARG   1          1HG       ARG   1 -13.765   3.476  -0.574
    9   1HD   ARG   1          2HD       ARG   1 -13.852   5.924   0.280
   10   2HD   ARG   1          1HD       ARG   1 -13.500   6.342  -1.396
   11    HE   ARG   1           HE       ARG   1 -15.588   4.647  -1.622
   12   1HH1  ARG   1          1HH1      ARG   1 -15.058   7.512   0.296
   13   2HH1  ARG   1          2HH1      ARG   1 -16.730   7.963   0.311
   14   1HH2  ARG   1          1HH2      ARG   1 -17.787   5.238  -1.604
   15   2HH2  ARG   1          2HH2      ARG   1 -18.279   6.672  -0.766
   16    H    VAL   2           H        VAL   2 -12.382   1.529   1.676
   17    HA   VAL   2           HA       VAL   2  -9.777   1.142   2.970
   18    HB   VAL   2           HB       VAL   2 -10.672  -1.123   3.562
   19   1HG1  VAL   2          1HG1      VAL   2 -10.868   1.089   4.931
   20   2HG1  VAL   2          3HG1      VAL   2 -12.591   0.919   4.591
   21   3HG1  VAL   2          2HG1      VAL   2 -11.731  -0.355   5.458
   22   1HG2  VAL   2          1HG2      VAL   2 -12.366  -1.098   1.677
   23   2HG2  VAL   2          3HG2      VAL   2 -12.943  -1.679   3.238
   24   3HG2  VAL   2          2HG2      VAL   2 -13.346  -0.049   2.700
   25    H    CYS   3           H        CYS   3  -8.214  -0.142   2.123
   26    HA   CYS   3           HA       CYS   3  -8.649  -1.088  -0.615
   27   1HB   CYS   3          2HB       CYS   3  -6.255  -1.032  -0.885
   28   2HB   CYS   3          1HB       CYS   3  -6.766   0.491  -0.165
   29    HA   PRO   4           HA       PRO   4  -9.071  -5.347   0.602
   30   1HB   PRO   4          2HB       PRO   4  -7.330  -5.671  -1.816
   31   2HB   PRO   4          1HB       PRO   4  -8.776  -6.574  -1.348
   32   1HG   PRO   4          2HG       PRO   4  -8.918  -4.668  -3.198
   33   2HG   PRO   4          1HG       PRO   4 -10.213  -4.870  -2.004
   34   1HD   PRO   4          2HD       PRO   4  -8.131  -2.764  -2.196
   35   2HD   PRO   4          1HD       PRO   4  -9.764  -2.680  -1.509
   36    H    ARG   5           H        ARG   5  -7.862  -6.900   1.647
   37    HA   ARG   5           HA       ARG   5  -5.294  -6.096   2.613
   38   1HB   ARG   5          2HB       ARG   5  -7.115  -7.455   3.837
   39   2HB   ARG   5          1HB       ARG   5  -6.478  -8.840   2.961
   40   1HG   ARG   5          2HG       ARG   5  -5.369  -8.933   4.989
   41   2HG   ARG   5          1HG       ARG   5  -4.202  -8.137   3.932
   42   1HD   ARG   5          2HD       ARG   5  -4.334  -6.180   5.045
   43   2HD   ARG   5          1HD       ARG   5  -6.066  -6.341   5.329
   44    HE   ARG   5           HE       ARG   5  -4.975  -8.206   6.968
   45   1HH1  ARG   5          1HH1      ARG   5  -4.442  -4.787   6.516
   46   2HH1  ARG   5          2HH1      ARG   5  -3.984  -4.514   8.164
   47   1HH2  ARG   5          1HH2      ARG   5  -4.374  -7.848   9.135
   48   2HH2  ARG   5          2HH2      ARG   5  -3.945  -6.251   9.651
   49    H    ILE   6           H        ILE   6  -4.173  -5.965   0.568
   50    HA   ILE   6           HA       ILE   6  -3.093  -8.577  -0.239
   51    HB   ILE   6           HB       ILE   6  -3.667  -6.353  -2.195
   52   1HG1  ILE   6          2HG1      ILE   6  -5.762  -7.309  -1.286
   53   2HG1  ILE   6          1HG1      ILE   6  -5.543  -7.687  -2.992
   54   1HG2  ILE   6          1HG2      ILE   6  -2.795  -9.217  -2.550
   55   2HG2  ILE   6          3HG2      ILE   6  -3.255  -8.136  -3.865
   56   3HG2  ILE   6          2HG2      ILE   6  -1.843  -7.768  -2.875
   57   1HD1  ILE   6          1HD1      ILE   6  -4.373  -9.810  -1.630
   58   2HD1  ILE   6          3HD1      ILE   6  -5.856  -9.452  -0.746
   59   3HD1  ILE   6          2HD1      ILE   6  -5.922  -9.803  -2.473
   60    H    LEU   7           H        LEU   7  -0.964  -8.638  -0.008
   61    HA   LEU   7           HA       LEU   7   0.605  -6.494   0.825
   62   1HB   LEU   7          2HB       LEU   7   1.472  -9.024  -0.578
   63   2HB   LEU   7          1HB       LEU   7   2.541  -7.935   0.286
   64    HG   LEU   7           HG       LEU   7   0.262  -9.455   1.554
   65   1HD1  LEU   7          1HD1      LEU   7   3.078 -10.156   1.028
   66   2HD1  LEU   7          3HD1      LEU   7   2.472 -10.507   2.646
   67   3HD1  LEU   7          2HD1      LEU   7   1.666 -11.191   1.235
   68   1HD2  LEU   7          1HD2      LEU   7   1.602  -7.187   2.432
   69   2HD2  LEU   7          3HD2      LEU   7   0.640  -8.292   3.412
   70   3HD2  LEU   7          2HD2      LEU   7   2.384  -8.519   3.284
   71    H    LEU   8           H        LEU   8   1.929  -5.039  -0.191
   72    HA   LEU   8           HA       LEU   8   2.460  -5.206  -3.016
   73   1HB   LEU   8          2HB       LEU   8   0.082  -4.008  -2.321
   74   2HB   LEU   8          1HB       LEU   8   1.173  -2.640  -2.438
   75    HG   LEU   8           HG       LEU   8   1.702  -4.126  -4.733
   76   1HD1  LEU   8          3HD1      LEU   8  -0.530  -5.274  -4.014
   77   2HD1  LEU   8          2HD1      LEU   8  -1.262  -3.803  -4.657
   78   3HD1  LEU   8          1HD1      LEU   8  -0.264  -4.820  -5.698
   79   1HD2  LEU   8          2HD2      LEU   8   0.377  -1.579  -4.036
   80   2HD2  LEU   8          1HD2      LEU   8   1.740  -1.896  -5.109
   81   3HD2  LEU   8          3HD2      LEU   8   0.093  -2.197  -5.664
   82    H    GLU   9           H        GLU   9   4.506  -4.604  -3.157
   83    HA   GLU   9           HA       GLU   9   5.572  -2.659  -1.241
   84   1HB   GLU   9          2HB       GLU   9   7.779  -3.492  -1.910
   85   2HB   GLU   9          1HB       GLU   9   6.737  -4.803  -1.375
   86   1HG   GLU   9          2HG       GLU   9   6.269  -5.366  -3.717
   87   2HG   GLU   9          1HG       GLU   9   7.363  -4.081  -4.228
   88    H    CYS  10           H        CYS  10   6.107  -0.652  -1.838
   89    HA   CYS  10           HA       CYS  10   6.933  -0.058  -4.541
   90   1HB   CYS  10          2HB       CYS  10   4.919   1.880  -4.027
   91   2HB   CYS  10          1HB       CYS  10   4.979   0.694  -5.325
   92    H    LYS  11           H        LYS  11   7.452   2.311  -4.780
   93    HA   LYS  11           HA       LYS  11   8.824   3.193  -2.370
   94   1HB   LYS  11          2HB       LYS  11   8.935   4.073  -5.252
   95   2HB   LYS  11          1HB       LYS  11   9.767   4.942  -3.970
   96   1HG   LYS  11          2HG       LYS  11  11.212   3.149  -3.538
   97   2HG   LYS  11          1HG       LYS  11  10.205   2.012  -4.437
   98   1HD   LYS  11          2HD       LYS  11  11.677   2.364  -6.099
   99   2HD   LYS  11          1HD       LYS  11  10.772   3.858  -6.354
  100   1HE   LYS  11          2HE       LYS  11  12.912   3.940  -4.317
  101   2HE   LYS  11          1HE       LYS  11  13.432   3.781  -5.994
  102   1HZ   LYS  11          2HZ       LYS  11  11.406   5.798  -5.469
  103   2HZ   LYS  11          1HZ       LYS  11  12.942   6.114  -4.835
  104   3HZ   LYS  11          3HZ       LYS  11  12.749   5.853  -6.496
  105    H    LYS  12           H        LYS  12   6.987   4.923  -4.891
  106    HA   LYS  12           HA       LYS  12   6.282   7.026  -3.074
  107   1HB   LYS  12          2HB       LYS  12   6.651   7.397  -5.504
  108   2HB   LYS  12          1HB       LYS  12   5.205   6.454  -5.842
  109   1HG   LYS  12          2HG       LYS  12   3.805   8.117  -5.224
  110   2HG   LYS  12          1HG       LYS  12   4.897   8.725  -3.980
  111   1HD   LYS  12          2HD       LYS  12   5.237  10.409  -5.435
  112   2HD   LYS  12          1HD       LYS  12   6.322   9.263  -6.224
  113   1HE   LYS  12          2HE       LYS  12   3.902   8.582  -7.291
  114   2HE   LYS  12          1HE       LYS  12   3.737  10.327  -7.100
  115   1HZ   LYS  12          2HZ       LYS  12   6.169  10.168  -8.171
  116   2HZ   LYS  12          1HZ       LYS  12   5.452   8.811  -8.884
  117   3HZ   LYS  12          3HZ       LYS  12   4.758  10.341  -9.088
  118    H    ASP  13           H        ASP  13   4.577   7.103  -1.755
  119    HA   ASP  13           HA       ASP  13   2.899   4.973  -1.290
  120   1HB   ASP  13          2HB       ASP  13   2.202   7.852  -0.723
  121   2HB   ASP  13          1HB       ASP  13   1.571   6.434   0.097
  122    H    SER  14           H        SER  14   2.475   7.647  -3.490
  123    HA   SER  14           HA       SER  14  -0.218   7.436  -4.087
  124   1HB   SER  14          2HB       SER  14   1.868   8.927  -5.044
  125   2HB   SER  14          1HB       SER  14   1.501   7.901  -6.431
  126    H    ASP  15           H        ASP  15   2.466   5.442  -5.140
  127    HA   ASP  15           HA       ASP  15   1.346   4.124  -7.296
  128   1HB   ASP  15          2HB       ASP  15   3.707   3.947  -6.040
  129   2HB   ASP  15          1HB       ASP  15   2.953   2.484  -5.415
  130    H    CYS  16           H        CYS  16   0.795   3.587  -3.864
  131    HA   CYS  16           HA       CYS  16  -0.298   1.096  -3.794
  132   1HB   CYS  16          2HB       CYS  16  -0.097   2.960  -1.944
  133   2HB   CYS  16          1HB       CYS  16  -1.773   3.238  -2.326
  134    H    LEU  17           H        LEU  17  -2.639   0.548  -3.456
  135    HA   LEU  17           HA       LEU  17  -4.163   1.555  -5.758
  136   1HB   LEU  17          2HB       LEU  17  -5.384  -0.547  -5.690
  137   2HB   LEU  17          1HB       LEU  17  -3.658  -0.834  -5.803
  138    HG   LEU  17           HG       LEU  17  -3.963  -0.959  -3.126
  139   1HD1  LEU  17          2HD1      LEU  17  -6.580  -1.814  -4.334
  140   2HD1  LEU  17          1HD1      LEU  17  -6.016  -2.371  -2.758
  141   3HD1  LEU  17          3HD1      LEU  17  -6.306  -0.654  -3.034
  142   1HD2  LEU  17          3HD2      LEU  17  -3.994  -2.957  -5.311
  143   2HD2  LEU  17          2HD2      LEU  17  -2.851  -2.740  -3.987
  144   3HD2  LEU  17          1HD2      LEU  17  -4.402  -3.525  -3.693
  145    H    ALA  18           H        ALA  18  -6.522   1.701  -5.513
  146    HA   ALA  18           HA       ALA  18  -8.302   2.719  -4.507
  147   1HB   ALA  18          1HB       ALA  18  -8.238   0.364  -3.518
  148   2HB   ALA  18           3HB      ALA  18  -7.591   1.120  -2.063
  149   3HB   ALA  18          2HB       ALA  18  -9.188   1.574  -2.657
  150    H    GLU  19           H        GLU  19  -8.467   3.119  -1.520
  151    HA   GLU  19           HA       GLU  19  -6.928   5.599  -1.472
  152   1HB   GLU  19          2HB       GLU  19  -9.516   5.120  -0.820
  153   2HB   GLU  19          1HB       GLU  19  -8.761   4.978   0.761
  154   1HG   GLU  19          2HG       GLU  19  -9.149   7.192   0.814
  155   2HG   GLU  19          1HG       GLU  19  -7.615   7.250  -0.054
  156    H    CYS  20           H        CYS  20  -5.079   3.803  -1.206
  157    HA   CYS  20           HA       CYS  20  -4.514   3.724   1.676
  158   1HB   CYS  20          2HB       CYS  20  -4.575   1.490  -0.252
  159   2HB   CYS  20          1HB       CYS  20  -3.147   1.546   0.776
  160    H    VAL  21           H        VAL  21  -1.965   2.836   1.681
  161    HA   VAL  21           HA       VAL  21  -0.546   4.576  -0.212
  162    HB   VAL  21           HB       VAL  21   0.925   5.406   1.522
  163   1HG1  VAL  21          1HG1      VAL  21  -1.600   6.239   1.088
  164   2HG1  VAL  21          3HG1      VAL  21  -1.667   5.929   2.824
  165   3HG1  VAL  21          2HG1      VAL  21  -0.471   7.051   2.174
  166   1HG2  VAL  21          2HG2      VAL  21  -0.642   3.546   3.278
  167   2HG2  VAL  21          1HG2      VAL  21   1.106   3.717   3.118
  168   3HG2  VAL  21          3HG2      VAL  21   0.172   4.957   3.953
  169    H    CYS  22           H        CYS  22   1.702   4.129  -0.424
  170    HA   CYS  22           HA       CYS  22   2.303   1.271  -0.211
  171   1HB   CYS  22          2HB       CYS  22   3.228   3.475  -2.019
  172   2HB   CYS  22          1HB       CYS  22   4.269   2.088  -1.785
  173    H    LEU  23           H        LEU  23   3.963   0.522   1.014
  174    HA   LEU  23           HA       LEU  23   5.364   2.498   2.657
  175   1HB   LEU  23          2HB       LEU  23   5.150  -0.488   3.034
  176   2HB   LEU  23          1HB       LEU  23   5.848   0.654   4.168
  177    HG   LEU  23           HG       LEU  23   2.992   0.975   3.336
  178   1HD1  LEU  23          3HD1      LEU  23   3.521  -1.432   4.073
  179   2HD1  LEU  23          2HD1      LEU  23   3.745  -0.732   5.676
  180   3HD1  LEU  23          1HD1      LEU  23   2.190  -0.584   4.859
  181   1HD2  LEU  23          3HD2      LEU  23   4.071   2.729   4.650
  182   2HD2  LEU  23          2HD2      LEU  23   2.799   1.929   5.572
  183   3HD2  LEU  23          1HD2      LEU  23   4.491   1.547   5.890
  184    H    GLU  24           H        GLU  24   7.555   2.593   2.849
  185    HA   GLU  24           HA       GLU  24   9.119   2.057   0.621
  186   1HB   GLU  24          2HB       GLU  24  11.066   2.479   2.187
  187   2HB   GLU  24          1HB       GLU  24   9.848   3.745   2.102
  188   1HG   GLU  24          2HG       GLU  24   8.958   2.152   4.162
  189   2HG   GLU  24          1HG       GLU  24  10.709   2.129   4.354
  190    H    HIS  25           H        HIS  25   8.910   0.220   3.674
  191    HA   HIS  25           HA       HIS  25  10.896  -1.646   3.088
  192   1HB   HIS  25          2HB       HIS  25   9.652  -3.159   4.684
  193   2HB   HIS  25          1HB       HIS  25  10.082  -1.575   5.317
  194    HD1  HIS  25          1HD       HIS  25   8.223  -0.197   6.253
  195    HD2  HIS  25          2HD       HIS  25   6.838  -3.388   3.984
  196    HE1  HIS  25          1HE       HIS  25   5.738  -0.250   6.619
  197    HE2  HIS  25          2HE       HIS  25   4.952  -2.292   5.373
  198    H    GLY  26           H        GLY  26   7.731  -1.290   1.792
  199   1HA   GLY  26          1HA       GLY  26   8.147  -3.776   0.264
  200   2HA   GLY  26          2HA       GLY  26   7.322  -2.351  -0.343
  201    H    TYR  27           H        TYR  27   5.349  -1.720   1.099
  202    HA   TYR  27           HA       TYR  27   3.524  -3.895   0.943
  203   1HB   TYR  27          2HB       TYR  27   4.540  -3.077   3.640
  204   2HB   TYR  27          1HB       TYR  27   2.888  -3.645   3.464
  205    HD1  TYR  27          1HD       TYR  27   3.217  -5.790   1.460
  206    HD2  TYR  27          2HD       TYR  27   5.634  -4.762   4.807
  207    HE1  TYR  27          1HE       TYR  27   4.010  -8.114   1.595
  208    HE2  TYR  27          2HE       TYR  27   6.434  -7.083   4.951
  209    HH   TYR  27           HH       TYR  27   6.569  -9.111   2.923
  210    H    CYS  28           H        CYS  28   1.415  -3.206   0.909
  211    HA   CYS  28           HA       CYS  28   1.037  -0.299   0.992
  212   1HB   CYS  28          2HB       CYS  28  -0.023  -2.455  -0.642
  213   2HB   CYS  28          1HB       CYS  28  -1.316  -1.466   0.028
  214    H    GLY  29           H        GLY  29   0.112   0.583   2.714
  215   1HA   GLY  29          1HA       GLY  29  -0.704   0.377   4.953
  216   2HA   GLY  29          2HA       GLY  29  -1.475  -1.134   4.497
  217    H1   ARG   1          3HT       ARG   1 -13.970   2.591   0.986
  218    H2   ARG   1          2HT       ARG   1 -13.678   3.908   2.048
  219    H3   ARG   1          1HT       ARG   1 -14.440   4.175   0.533
  220    HA   ARG   1           HA       ARG   1 -12.494   3.588  -0.628
  221   1HB   ARG   1          2HB       ARG   1 -12.462   5.660   1.511
  222   2HB   ARG   1          1HB       ARG   1 -10.958   5.365   0.650
  223   1HG   ARG   1          2HG       ARG   1 -11.695   6.332  -1.237
  224   2HG   ARG   1          1HG       ARG   1 -13.326   5.684  -1.057
  225   1HD   ARG   1          2HD       ARG   1 -13.790   7.369   0.668
  226   2HD   ARG   1          1HD       ARG   1 -12.168   8.025   0.453
  227    HE   ARG   1           HE       ARG   1 -12.928   9.148  -1.378
  228   1HH1  ARG   1          1HH1      ARG   1 -15.116   6.507  -0.728
  229   2HH1  ARG   1          2HH1      ARG   1 -16.246   6.978  -1.954
  230   1HH2  ARG   1          1HH2      ARG   1 -14.413   9.768  -2.989
  231   2HH2  ARG   1          2HH2      ARG   1 -15.846   8.827  -3.238
  232    H    VAL   2           H        VAL   2 -12.478   1.302   0.708
  233    HA   VAL   2           HA       VAL   2  -9.917   1.205   2.159
  234    HB   VAL   2           HB       VAL   2 -11.853   0.390   3.445
  235   1HG1  VAL   2          1HG1      VAL   2 -12.098  -1.603   1.200
  236   2HG1  VAL   2          3HG1      VAL   2 -12.898  -1.771   2.763
  237   3HG1  VAL   2          2HG1      VAL   2 -13.291  -0.410   1.713
  238   1HG2  VAL   2          3HG2      VAL   2  -9.646  -1.472   2.679
  239   2HG2  VAL   2          2HG2      VAL   2  -9.908  -0.601   4.189
  240   3HG2  VAL   2          1HG2      VAL   2 -10.897  -2.009   3.801
  241    H    CYS   3           H        CYS   3  -8.300  -0.143   1.494
  242    HA   CYS   3           HA       CYS   3  -8.645  -1.342  -1.155
  243   1HB   CYS   3          2HB       CYS   3  -6.243  -1.274  -1.362
  244   2HB   CYS   3          1HB       CYS   3  -6.801   0.300  -0.811
  245    HA   PRO   4           HA       PRO   4  -9.041  -5.485   0.408
  246   1HB   PRO   4          2HB       PRO   4  -7.202  -5.984  -1.906
  247   2HB   PRO   4          1HB       PRO   4  -8.653  -6.867  -1.417
  248   1HG   PRO   4          2HG       PRO   4  -8.735  -5.123  -3.431
  249   2HG   PRO   4          1HG       PRO   4 -10.084  -5.264  -2.289
  250   1HD   PRO   4          2HD       PRO   4  -8.059  -3.117  -2.563
  251   2HD   PRO   4          1HD       PRO   4  -9.716  -3.036  -1.934
  252    H    ARG   5           H        ARG   5  -7.843  -6.937   1.608
  253    HA   ARG   5           HA       ARG   5  -5.320  -6.003   2.591
  254   1HB   ARG   5          2HB       ARG   5  -5.401  -8.145   3.935
  255   2HB   ARG   5          1HB       ARG   5  -6.748  -7.042   4.179
  256   1HG   ARG   5          2HG       ARG   5  -8.235  -8.536   3.467
  257   2HG   ARG   5          1HG       ARG   5  -7.255  -8.972   2.067
  258   1HD   ARG   5          2HD       ARG   5  -5.883 -10.421   3.473
  259   2HD   ARG   5          1HD       ARG   5  -6.835  -9.967   4.885
  260    HE   ARG   5           HE       ARG   5  -7.557 -11.851   2.835
  261   1HH1  ARG   5          1HH1      ARG   5  -8.767  -9.714   5.316
  262   2HH1  ARG   5          2HH1      ARG   5 -10.250 -10.583   5.515
  263   1HH2  ARG   5          1HH2      ARG   5  -9.507 -12.995   3.098
  264   2HH2  ARG   5          2HH2      ARG   5 -10.671 -12.446   4.257
  265    H    ILE   6           H        ILE   6  -4.129  -6.053   0.582
  266    HA   ILE   6           HA       ILE   6  -2.999  -8.716   0.066
  267    HB   ILE   6           HB       ILE   6  -3.558  -6.715  -2.122
  268   1HG1  ILE   6          2HG1      ILE   6  -5.042  -9.299  -1.663
  269   2HG1  ILE   6          1HG1      ILE   6  -5.613  -7.765  -1.015
  270   1HG2  ILE   6          2HG2      ILE   6  -1.682  -8.567  -2.177
  271   2HG2  ILE   6          1HG2      ILE   6  -3.047  -9.605  -2.586
  272   3HG2  ILE   6          3HG2      ILE   6  -2.665  -8.211  -3.597
  273   1HD1  ILE   6          2HD1      ILE   6  -5.621  -6.879  -3.347
  274   2HD1  ILE   6          1HD1      ILE   6  -5.267  -8.516  -3.904
  275   3HD1  ILE   6          3HD1      ILE   6  -6.771  -8.183  -3.044
  276    H    LEU   7           H        LEU   7  -0.842  -8.766   0.079
  277    HA   LEU   7           HA       LEU   7   0.711  -6.610   0.904
  278   1HB   LEU   7          2HB       LEU   7   1.586  -9.075  -0.602
  279   2HB   LEU   7          1HB       LEU   7   2.652  -7.992   0.272
  280    HG   LEU   7           HG       LEU   7   0.484  -9.703   1.492
  281   1HD1  LEU   7          1HD1      LEU   7   3.423 -10.007   1.157
  282   2HD1  LEU   7          3HD1      LEU   7   2.673 -10.604   2.637
  283   3HD1  LEU   7          2HD1      LEU   7   2.143 -11.217   1.070
  284   1HD2  LEU   7          1HD2      LEU   7   1.710  -7.329   2.454
  285   2HD2  LEU   7          3HD2      LEU   7   0.587  -8.405   3.288
  286   3HD2  LEU   7          2HD2      LEU   7   2.325  -8.684   3.400
  287    H    LEU   8           H        LEU   8   1.964  -5.101  -0.123
  288    HA   LEU   8           HA       LEU   8   2.382  -5.189  -2.971
  289   1HB   LEU   8          2HB       LEU   8   0.009  -4.096  -2.214
  290   2HB   LEU   8          1HB       LEU   8   1.044  -2.680  -2.198
  291    HG   LEU   8           HG       LEU   8   1.660  -3.889  -4.613
  292   1HD1  LEU   8          3HD1      LEU   8  -0.619  -5.152  -3.905
  293   2HD1  LEU   8          2HD1      LEU   8  -1.273  -3.754  -4.759
  294   3HD1  LEU   8          1HD1      LEU   8  -0.140  -4.833  -5.572
  295   1HD2  LEU   8          2HD2      LEU   8  -0.092  -1.597  -3.809
  296   2HD2  LEU   8          1HD2      LEU   8   1.519  -1.571  -4.527
  297   3HD2  LEU   8          3HD2      LEU   8   0.123  -2.021  -5.507
  298    H    GLU   9           H        GLU   9   4.440  -4.625  -3.111
  299    HA   GLU   9           HA       GLU   9   5.527  -2.648  -1.240
  300   1HB   GLU   9          2HB       GLU   9   7.727  -3.488  -1.922
  301   2HB   GLU   9          1HB       GLU   9   6.695  -4.792  -1.353
  302   1HG   GLU   9          2HG       GLU   9   6.307  -4.572  -4.141
  303   2HG   GLU   9          1HG       GLU   9   8.043  -4.527  -3.842
  304    H    CYS  10           H        CYS  10   6.085  -0.659  -1.874
  305    HA   CYS  10           HA       CYS  10   6.844  -0.113  -4.610
  306   1HB   CYS  10          2HB       CYS  10   4.873   1.863  -4.052
  307   2HB   CYS  10          1HB       CYS  10   4.886   0.672  -5.347
  308    H    LYS  11           H        LYS  11   7.376   2.257  -4.893
  309    HA   LYS  11           HA       LYS  11   8.864   3.132  -2.554
  310   1HB   LYS  11          2HB       LYS  11   9.771   3.040  -4.961
  311   2HB   LYS  11          1HB       LYS  11   8.827   4.497  -5.237
  312   1HG   LYS  11          2HG       LYS  11  11.075   5.127  -4.739
  313   2HG   LYS  11          1HG       LYS  11  10.054   5.583  -3.374
  314   1HD   LYS  11          2HD       LYS  11  11.076   4.147  -1.971
  315   2HD   LYS  11          1HD       LYS  11  11.220   2.891  -3.203
  316   1HE   LYS  11          2HE       LYS  11  13.427   3.555  -2.656
  317   2HE   LYS  11          1HE       LYS  11  13.063   4.265  -4.229
  318   1HZ   LYS  11          2HZ       LYS  11  12.438   6.330  -2.951
  319   2HZ   LYS  11          1HZ       LYS  11  13.162   5.619  -1.598
  320   3HZ   LYS  11          3HZ       LYS  11  14.085   5.948  -2.978
  321    H    LYS  12           H        LYS  12   6.899   4.874  -4.972
  322    HA   LYS  12           HA       LYS  12   6.298   6.961  -3.083
  323   1HB   LYS  12          2HB       LYS  12   6.614   7.471  -5.462
  324   2HB   LYS  12          1HB       LYS  12   5.234   6.461  -5.870
  325   1HG   LYS  12          2HG       LYS  12   3.710   7.987  -5.097
  326   2HG   LYS  12          1HG       LYS  12   4.849   8.712  -3.961
  327   1HD   LYS  12          2HD       LYS  12   6.104   9.383  -6.183
  328   2HD   LYS  12          1HD       LYS  12   4.490   9.206  -6.877
  329   1HE   LYS  12          2HE       LYS  12   4.545  11.445  -6.282
  330   2HE   LYS  12          1HE       LYS  12   3.737  10.698  -4.905
  331   1HZ   LYS  12          2HZ       LYS  12   6.639  11.313  -5.005
  332   2HZ   LYS  12          1HZ       LYS  12   5.480  12.306  -4.278
  333   3HZ   LYS  12          3HZ       LYS  12   5.768  10.755  -3.668
  334    H    ASP  13           H        ASP  13   4.577   7.094  -1.780
  335    HA   ASP  13           HA       ASP  13   2.898   4.966  -1.289
  336   1HB   ASP  13          2HB       ASP  13   2.220   7.849  -0.726
  337   2HB   ASP  13          1HB       ASP  13   1.589   6.437   0.104
  338    H    SER  14           H        SER  14   2.464   7.634  -3.497
  339    HA   SER  14           HA       SER  14  -0.234   7.430  -4.069
  340   1HB   SER  14          1HB       SER  14   0.194   8.694  -5.978
  341   2HB   SER  14          2HB       SER  14   1.738   7.895  -6.283
  342    H    ASP  15           H        ASP  15   2.431   5.416  -5.127
  343    HA   ASP  15           HA       ASP  15   1.301   4.079  -7.261
  344   1HB   ASP  15          2HB       ASP  15   3.642   3.880  -5.864
  345   2HB   ASP  15          1HB       ASP  15   2.858   2.358  -5.457
  346    H    CYS  16           H        CYS  16   0.755   3.586  -3.821
  347    HA   CYS  16           HA       CYS  16  -0.360   1.101  -3.728
  348   1HB   CYS  16          2HB       CYS  16  -0.125   2.982  -1.894
  349   2HB   CYS  16          1HB       CYS  16  -1.804   3.262  -2.260
  350    H    LEU  17           H        LEU  17  -2.719   0.600  -3.354
  351    HA   LEU  17           HA       LEU  17  -4.230   1.588  -5.671
  352   1HB   LEU  17          2HB       LEU  17  -5.469  -0.474  -5.598
  353   2HB   LEU  17          1HB       LEU  17  -3.752  -0.831  -5.594
  354    HG   LEU  17           HG       LEU  17  -4.739  -0.654  -2.886
  355   1HD1  LEU  17          3HD1      LEU  17  -6.149  -2.590  -4.715
  356   2HD1  LEU  17          2HD1      LEU  17  -6.153  -2.682  -2.954
  357   3HD1  LEU  17          1HD1      LEU  17  -6.883  -1.297  -3.766
  358   1HD2  LEU  17          3HD2      LEU  17  -2.659  -1.769  -3.774
  359   2HD2  LEU  17          2HD2      LEU  17  -3.618  -2.727  -2.646
  360   3HD2  LEU  17          1HD2      LEU  17  -3.704  -3.055  -4.376
  361    H    ALA  18           H        ALA  18  -6.537   1.921  -5.443
  362    HA   ALA  18           HA       ALA  18  -8.268   3.036  -4.452
  363   1HB   ALA  18          2HB       ALA  18  -8.122   0.591  -3.382
  364   2HB   ALA  18          1HB       ALA  18  -7.899   1.548  -1.917
  365   3HB   ALA  18           3HB      ALA  18  -9.344   1.769  -2.904
  366    H    GLU  19           H        GLU  19  -8.540   3.436  -1.510
  367    HA   GLU  19           HA       GLU  19  -6.872   5.811  -1.354
  368   1HB   GLU  19          2HB       GLU  19  -9.466   5.384  -0.680
  369   2HB   GLU  19          1HB       GLU  19  -8.692   5.170   0.883
  370   1HG   GLU  19          2HG       GLU  19  -7.732   7.517  -0.534
  371   2HG   GLU  19          1HG       GLU  19  -9.470   7.554  -0.239
  372    H    CYS  20           H        CYS  20  -5.089   3.931  -1.183
  373    HA   CYS  20           HA       CYS  20  -4.488   3.722   1.688
  374   1HB   CYS  20          2HB       CYS  20  -4.326   1.599  -0.430
  375   2HB   CYS  20          1HB       CYS  20  -3.243   1.547   0.958
  376    H    VAL  21           H        VAL  21  -1.968   2.868   1.702
  377    HA   VAL  21           HA       VAL  21  -0.526   4.600  -0.182
  378    HB   VAL  21           HB       VAL  21   0.922   5.445   1.548
  379   1HG1  VAL  21          1HG1      VAL  21  -2.024   5.755   1.925
  380   2HG1  VAL  21          3HG1      VAL  21  -0.907   6.567   3.023
  381   3HG1  VAL  21          2HG1      VAL  21  -0.844   6.903   1.292
  382   1HG2  VAL  21          2HG2      VAL  21   0.911   3.472   3.014
  383   2HG2  VAL  21          1HG2      VAL  21   0.575   4.953   3.909
  384   3HG2  VAL  21          3HG2      VAL  21  -0.740   3.851   3.502
  385    H    CYS  22           H        CYS  22   1.705   4.140  -0.404
  386    HA   CYS  22           HA       CYS  22   2.307   1.285  -0.177
  387   1HB   CYS  22          2HB       CYS  22   3.236   3.479  -1.998
  388   2HB   CYS  22          1HB       CYS  22   4.258   2.077  -1.772
  389    H    LEU  23           H        LEU  23   3.982   0.538   1.030
  390    HA   LEU  23           HA       LEU  23   5.397   2.518   2.659
  391   1HB   LEU  23          2HB       LEU  23   5.172  -0.467   3.034
  392   2HB   LEU  23          1HB       LEU  23   5.907   0.662   4.155
  393    HG   LEU  23           HG       LEU  23   3.055   1.079   3.400
  394   1HD1  LEU  23          2HD1      LEU  23   3.997  -1.370   4.482
  395   2HD1  LEU  23          1HD1      LEU  23   3.142  -0.499   5.755
  396   3HD1  LEU  23          3HD1      LEU  23   2.333  -0.844   4.227
  397   1HD2  LEU  23          2HD2      LEU  23   4.236   2.708   4.795
  398   2HD2  LEU  23          1HD2      LEU  23   2.924   1.924   5.675
  399   3HD2  LEU  23          3HD2      LEU  23   4.594   1.440   5.967
  400    H    GLU  24           H        GLU  24   7.597   2.596   2.849
  401    HA   GLU  24           HA       GLU  24   9.145   2.072   0.606
  402   1HB   GLU  24          2HB       GLU  24  11.099   2.508   2.107
  403   2HB   GLU  24          1HB       GLU  24   9.843   3.737   2.176
  404   1HG   GLU  24          2HG       GLU  24   9.024   2.169   4.181
  405   2HG   GLU  24          1HG       GLU  24  10.755   1.834   4.237
  406    H    HIS  25           H        HIS  25   8.994   0.240   3.663
  407    HA   HIS  25           HA       HIS  25  10.926  -1.662   3.066
  408   1HB   HIS  25          2HB       HIS  25   9.287  -3.193   4.521
  409   2HB   HIS  25          1HB       HIS  25  10.286  -1.937   5.237
  410    HD1  HIS  25          1HD       HIS  25   9.073   0.226   6.035
  411    HD2  HIS  25          2HD       HIS  25   6.545  -2.760   4.640
  412    HE1  HIS  25          1HE       HIS  25   6.775   0.874   6.817
  413    HE2  HIS  25          2HE       HIS  25   5.286  -1.018   6.079
  414    H    GLY  26           H        GLY  26   7.732  -1.290   1.815
  415   1HA   GLY  26          1HA       GLY  26   8.144  -3.736   0.221
  416   2HA   GLY  26          2HA       GLY  26   7.317  -2.298  -0.351
  417    H    TYR  27           H        TYR  27   5.366  -1.688   1.130
  418    HA   TYR  27           HA       TYR  27   3.536  -3.861   0.970
  419   1HB   TYR  27          2HB       TYR  27   4.580  -3.054   3.662
  420   2HB   TYR  27          1HB       TYR  27   2.934  -3.647   3.496
  421    HD1  TYR  27          1HD       TYR  27   3.042  -5.840   1.699
  422    HD2  TYR  27          2HD       TYR  27   5.946  -4.660   4.575
  423    HE1  TYR  27          1HE       TYR  27   3.874  -8.152   1.801
  424    HE2  TYR  27          2HE       TYR  27   6.785  -6.968   4.683
  425    HH   TYR  27           HH       TYR  27   6.067  -9.214   4.214
  426    H    CYS  28           H        CYS  28   1.423  -3.170   0.977
  427    HA   CYS  28           HA       CYS  28   1.050  -0.265   1.091
  428   1HB   CYS  28          2HB       CYS  28  -0.055  -2.411  -0.537
  429   2HB   CYS  28          1HB       CYS  28  -1.320  -1.398   0.152
  430    H    GLY  29           H        GLY  29   0.087   0.629   2.788
  431   1HA   GLY  29          1HA       GLY  29  -0.702   0.462   5.032
  432   2HA   GLY  29          2HA       GLY  29  -1.382  -1.111   4.644
  433    H1   ARG   1          1HT       ARG   1  -8.962   3.719   6.612
  434    H2   ARG   1          3HT       ARG   1  -8.115   5.159   6.229
  435    H3   ARG   1          2HT       ARG   1  -9.519   4.729   5.341
  436    HA   ARG   1           HA       ARG   1  -7.629   4.265   4.047
  437   1HB   ARG   1          2HB       ARG   1  -6.678   3.280   6.648
  438   2HB   ARG   1          1HB       ARG   1  -6.269   2.233   5.296
  439   1HG   ARG   1          2HG       ARG   1  -5.488   4.491   4.204
  440   2HG   ARG   1          1HG       ARG   1  -5.376   5.004   5.889
  441   1HD   ARG   1          2HD       ARG   1  -4.188   2.512   5.890
  442   2HD   ARG   1          1HD       ARG   1  -3.664   3.214   4.361
  443    HE   ARG   1           HE       ARG   1  -2.322   4.638   5.533
  444   1HH1  ARG   1          1HH1      ARG   1  -4.749   3.375   7.701
  445   2HH1  ARG   1          2HH1      ARG   1  -4.052   4.106   9.107
  446   1HH2  ARG   1          1HH2      ARG   1  -1.404   5.600   7.381
  447   2HH2  ARG   1          2HH2      ARG   1  -2.152   5.369   8.926
  448    H    VAL   2           H        VAL   2  -9.413   3.416   2.910
  449    HA   VAL   2           HA       VAL   2 -10.168   0.648   3.499
  450    HB   VAL   2           HB       VAL   2 -11.998   2.257   3.176
  451   1HG1  VAL   2          3HG1      VAL   2 -10.443   3.345   1.213
  452   2HG1  VAL   2          2HG1      VAL   2 -11.663   2.480   0.279
  453   3HG1  VAL   2          1HG1      VAL   2 -12.154   3.691   1.464
  454   1HG2  VAL   2          2HG2      VAL   2 -12.367  -0.087   2.628
  455   2HG2  VAL   2          1HG2      VAL   2 -13.287   0.960   1.547
  456   3HG2  VAL   2          3HG2      VAL   2 -11.802   0.197   0.982
  457    H    CYS   3           H        CYS   3  -8.952  -0.848   2.550
  458    HA   CYS   3           HA       CYS   3  -8.678  -0.925  -0.290
  459   1HB   CYS   3          2HB       CYS   3  -6.305  -0.761  -0.498
  460   2HB   CYS   3          1HB       CYS   3  -6.837   0.656   0.398
  461    HA   PRO   4           HA       PRO   4  -9.036  -5.258   0.659
  462   1HB   PRO   4          2HB       PRO   4  -7.311  -5.430  -1.781
  463   2HB   PRO   4          1HB       PRO   4  -8.764  -6.347  -1.368
  464   1HG   PRO   4          2HG       PRO   4  -8.891  -4.337  -3.104
  465   2HG   PRO   4          1HG       PRO   4 -10.186  -4.595  -1.921
  466   1HD   PRO   4          2HD       PRO   4  -8.061  -2.516  -1.979
  467   2HD   PRO   4          1HD       PRO   4  -9.710  -2.431  -1.327
  468    H    ARG   5           H        ARG   5  -7.825  -6.732   1.753
  469    HA   ARG   5           HA       ARG   5  -5.216  -5.974   2.623
  470   1HB   ARG   5          2HB       ARG   5  -6.899  -8.437   3.061
  471   2HB   ARG   5          1HB       ARG   5  -5.283  -8.271   3.733
  472   1HG   ARG   5          2HG       ARG   5  -5.927  -6.731   5.272
  473   2HG   ARG   5          1HG       ARG   5  -7.206  -6.077   4.246
  474   1HD   ARG   5          2HD       ARG   5  -7.389  -8.836   5.409
  475   2HD   ARG   5          1HD       ARG   5  -7.882  -7.416   6.333
  476    HE   ARG   5           HE       ARG   5  -9.275  -8.622   4.128
  477   1HH1  ARG   5          1HH1      ARG   5  -8.792  -5.678   5.940
  478   2HH1  ARG   5          2HH1      ARG   5 -10.325  -5.005   5.495
  479   1HH2  ARG   5          1HH2      ARG   5 -11.291  -7.739   3.543
  480   2HH2  ARG   5          2HH2      ARG   5 -11.744  -6.176   4.135
  481    H    ILE   6           H        ILE   6  -4.152  -5.864   0.545
  482    HA   ILE   6           HA       ILE   6  -3.161  -8.498  -0.303
  483    HB   ILE   6           HB       ILE   6  -3.694  -6.224  -2.212
  484   1HG1  ILE   6          2HG1      ILE   6  -5.292  -8.772  -2.034
  485   2HG1  ILE   6          1HG1      ILE   6  -5.751  -7.331  -1.132
  486   1HG2  ILE   6          1HG2      ILE   6  -1.958  -8.252  -2.511
  487   2HG2  ILE   6          3HG2      ILE   6  -3.422  -9.011  -3.135
  488   3HG2  ILE   6          2HG2      ILE   6  -2.832  -7.512  -3.852
  489   1HD1  ILE   6          1HD1      ILE   6  -5.455  -7.487  -4.122
  490   2HD1  ILE   6          3HD1      ILE   6  -6.978  -7.550  -3.234
  491   3HD1  ILE   6          2HD1      ILE   6  -5.992  -6.088  -3.192
  492    H    LEU   7           H        LEU   7  -1.032  -8.637  -0.115
  493    HA   LEU   7           HA       LEU   7   0.619  -6.546   0.712
  494   1HB   LEU   7          2HB       LEU   7   1.396  -9.102  -0.694
  495   2HB   LEU   7          1HB       LEU   7   2.492  -8.055   0.189
  496    HG   LEU   7           HG       LEU   7   0.130  -9.405   1.484
  497   1HD1  LEU   7          1HD1      LEU   7   2.790 -10.459   0.775
  498   2HD1  LEU   7          3HD1      LEU   7   2.246 -10.768   2.424
  499   3HD1  LEU   7          2HD1      LEU   7   1.269 -11.304   1.058
  500   1HD2  LEU   7          1HD2      LEU   7   1.708  -7.343   2.356
  501   2HD2  LEU   7          3HD2      LEU   7   0.797  -8.444   3.390
  502   3HD2  LEU   7          2HD2      LEU   7   2.501  -8.753   3.057
  503    H    LEU   8           H        LEU   8   1.985  -5.147  -0.321
  504    HA   LEU   8           HA       LEU   8   2.577  -5.349  -3.110
  505   1HB   LEU   8          2HB       LEU   8   0.135  -4.335  -2.730
  506   2HB   LEU   8          1HB       LEU   8   1.064  -2.865  -2.514
  507    HG   LEU   8           HG       LEU   8   2.073  -4.049  -4.853
  508   1HD1  LEU   8          3HD1      LEU   8  -0.123  -5.380  -4.683
  509   2HD1  LEU   8          2HD1      LEU   8  -0.903  -3.859  -5.120
  510   3HD1  LEU   8          1HD1      LEU   8   0.271  -4.595  -6.212
  511   1HD2  LEU   8          1HD2      LEU   8   1.392  -1.588  -4.017
  512   2HD2  LEU   8          3HD2      LEU   8   1.705  -1.991  -5.706
  513   3HD2  LEU   8          2HD2      LEU   8   0.047  -1.920  -5.109
  514    H    GLU   9           H        GLU   9   4.592  -4.641  -3.228
  515    HA   GLU   9           HA       GLU   9   5.520  -2.639  -1.301
  516   1HB   GLU   9          2HB       GLU   9   7.796  -3.358  -2.023
  517   2HB   GLU   9          1HB       GLU   9   6.836  -4.651  -1.320
  518   1HG   GLU   9          2HG       GLU   9   6.713  -4.350  -4.256
  519   2HG   GLU   9          1HG       GLU   9   8.234  -4.924  -3.574
  520    H    CYS  10           H        CYS  10   6.107  -0.643  -1.879
  521    HA   CYS  10           HA       CYS  10   6.861  -0.021  -4.600
  522   1HB   CYS  10          2HB       CYS  10   4.882   1.927  -3.982
  523   2HB   CYS  10          1HB       CYS  10   4.894   0.771  -5.307
  524    H    LYS  11           H        LYS  11   7.530   2.261  -4.834
  525    HA   LYS  11           HA       LYS  11   8.952   3.109  -2.457
  526   1HB   LYS  11          2HB       LYS  11   9.276   3.404  -5.303
  527   2HB   LYS  11          1HB       LYS  11   9.344   4.983  -4.533
  528   1HG   LYS  11          2HG       LYS  11  10.937   3.511  -2.890
  529   2HG   LYS  11          1HG       LYS  11  11.251   2.765  -4.458
  530   1HD   LYS  11          2HD       LYS  11  11.341   5.392  -5.116
  531   2HD   LYS  11          1HD       LYS  11  11.948   5.445  -3.459
  532   1HE   LYS  11          2HE       LYS  11  13.649   3.798  -4.010
  533   2HE   LYS  11          1HE       LYS  11  13.019   3.671  -5.652
  534   1HZ   LYS  11          1HZ       LYS  11  13.802   6.321  -4.695
  535   2HZ   LYS  11          3HZ       LYS  11  15.039   5.227  -5.063
  536   3HZ   LYS  11          2HZ       LYS  11  13.912   5.659  -6.247
  537    H    LYS  12           H        LYS  12   6.939   4.840  -4.845
  538    HA   LYS  12           HA       LYS  12   6.353   6.919  -2.924
  539   1HB   LYS  12          2HB       LYS  12   6.714   7.430  -5.321
  540   2HB   LYS  12          1HB       LYS  12   5.274   6.500  -5.720
  541   1HG   LYS  12          2HG       LYS  12   3.866   8.128  -5.043
  542   2HG   LYS  12          1HG       LYS  12   4.928   8.657  -3.736
  543   1HD   LYS  12          2HD       LYS  12   6.336   9.840  -5.276
  544   2HD   LYS  12          1HD       LYS  12   5.467   9.170  -6.658
  545   1HE   LYS  12          2HE       LYS  12   3.467  10.377  -6.032
  546   2HE   LYS  12          1HE       LYS  12   4.252  10.974  -4.569
  547   1HZ   LYS  12          2HZ       LYS  12   5.211  11.568  -7.314
  548   2HZ   LYS  12          1HZ       LYS  12   4.189  12.589  -6.434
  549   3HZ   LYS  12          3HZ       LYS  12   5.751  12.263  -5.870
  550    H    ASP  13           H        ASP  13   4.565   7.097  -1.702
  551    HA   ASP  13           HA       ASP  13   2.888   4.952  -1.236
  552   1HB   ASP  13          2HB       ASP  13   2.187   7.838  -0.707
  553   2HB   ASP  13          1HB       ASP  13   1.539   6.428   0.114
  554    H    SER  14           H        SER  14   2.514   7.610  -3.465
  555    HA   SER  14           HA       SER  14  -0.171   7.377  -4.110
  556   1HB   SER  14          2HB       SER  14   0.302   8.625  -6.045
  557   2HB   SER  14          1HB       SER  14   1.586   9.092  -4.929
  558    H    ASP  15           H        ASP  15   2.564   5.425  -5.104
  559    HA   ASP  15           HA       ASP  15   1.559   4.092  -7.290
  560   1HB   ASP  15          2HB       ASP  15   3.820   3.884  -5.797
  561   2HB   ASP  15          1HB       ASP  15   3.007   2.380  -5.373
  562    H    CYS  16           H        CYS  16   0.807   3.571  -3.895
  563    HA   CYS  16           HA       CYS  16  -0.347   1.083  -3.950
  564   1HB   CYS  16          2HB       CYS  16  -0.107   2.872  -2.022
  565   2HB   CYS  16          1HB       CYS  16  -1.769   3.214  -2.415
  566    H    LEU  17           H        LEU  17  -2.785   0.705  -3.631
  567    HA   LEU  17           HA       LEU  17  -4.196   1.972  -5.888
  568   1HB   LEU  17          2HB       LEU  17  -5.435  -0.152  -6.120
  569   2HB   LEU  17          1HB       LEU  17  -3.714  -0.323  -6.404
  570    HG   LEU  17           HG       LEU  17  -4.484  -0.858  -3.632
  571   1HD1  LEU  17          2HD1      LEU  17  -6.429  -1.691  -5.176
  572   2HD1  LEU  17          1HD1      LEU  17  -5.292  -2.986  -5.551
  573   3HD1  LEU  17          3HD1      LEU  17  -5.801  -2.715  -3.885
  574   1HD2  LEU  17          1HD2      LEU  17  -2.929  -2.354  -5.736
  575   2HD2  LEU  17          3HD2      LEU  17  -2.273  -1.345  -4.447
  576   3HD2  LEU  17          2HD2      LEU  17  -3.087  -2.861  -4.055
  577    H    ALA  18           H        ALA  18  -6.663   1.635  -5.678
  578    HA   ALA  18           HA       ALA  18  -8.552   2.342  -4.625
  579   1HB   ALA  18          2HB       ALA  18  -8.338   0.087  -3.685
  580   2HB   ALA  18           3HB      ALA  18  -9.087   1.200  -2.542
  581   3HB   ALA  18          1HB       ALA  18  -7.397   0.737  -2.343
  582    H    GLU  19           H        GLU  19  -7.995   2.451  -1.393
  583    HA   GLU  19           HA       GLU  19  -7.040   5.233  -1.491
  584   1HB   GLU  19          2HB       GLU  19  -9.594   4.553  -0.908
  585   2HB   GLU  19          1HB       GLU  19  -8.881   4.479   0.698
  586   1HG   GLU  19          2HG       GLU  19  -7.899   6.839  -0.186
  587   2HG   GLU  19          1HG       GLU  19  -9.455   6.790  -1.013
  588    H    CYS  20           H        CYS  20  -5.084   3.535  -1.144
  589    HA   CYS  20           HA       CYS  20  -4.548   3.634   1.742
  590   1HB   CYS  20          2HB       CYS  20  -4.617   1.280   0.012
  591   2HB   CYS  20          1HB       CYS  20  -3.081   1.456   0.855
  592    H    VAL  21           H        VAL  21  -1.964   2.806   1.782
  593    HA   VAL  21           HA       VAL  21  -0.604   4.535  -0.164
  594    HB   VAL  21           HB       VAL  21   0.861   5.431   1.544
  595   1HG1  VAL  21          2HG1      VAL  21  -2.085   5.710   2.077
  596   2HG1  VAL  21          1HG1      VAL  21  -0.873   6.688   2.903
  597   3HG1  VAL  21          3HG1      VAL  21  -1.032   6.779   1.149
  598   1HG2  VAL  21          1HG2      VAL  21  -0.478   3.404   3.227
  599   2HG2  VAL  21          3HG2      VAL  21   1.176   4.012   3.282
  600   3HG2  VAL  21          2HG2      VAL  21  -0.133   4.953   3.996
  601    H    CYS  22           H        CYS  22   1.671   4.141  -0.359
  602    HA   CYS  22           HA       CYS  22   2.314   1.295  -0.113
  603   1HB   CYS  22          2HB       CYS  22   3.258   3.492  -1.927
  604   2HB   CYS  22          1HB       CYS  22   4.262   2.078  -1.695
  605    H    LEU  23           H        LEU  23   3.955   0.576   1.134
  606    HA   LEU  23           HA       LEU  23   5.350   2.570   2.762
  607   1HB   LEU  23          2HB       LEU  23   5.303  -0.405   3.211
  608   2HB   LEU  23          1HB       LEU  23   5.709   0.856   4.361
  609    HG   LEU  23           HG       LEU  23   2.959   0.831   3.210
  610   1HD1  LEU  23          2HD1      LEU  23   4.090  -1.402   4.592
  611   2HD1  LEU  23          1HD1      LEU  23   2.868  -0.639   5.607
  612   3HD1  LEU  23          3HD1      LEU  23   2.451  -1.182   3.983
  613   1HD2  LEU  23          2HD2      LEU  23   3.965   2.584   4.790
  614   2HD2  LEU  23          1HD2      LEU  23   2.379   1.923   5.189
  615   3HD2  LEU  23          3HD2      LEU  23   3.813   1.346   6.038
  616    H    GLU  24           H        GLU  24   7.556   2.623   2.999
  617    HA   GLU  24           HA       GLU  24   9.137   2.100   0.782
  618   1HB   GLU  24          2HB       GLU  24  11.071   2.513   2.296
  619   2HB   GLU  24          1HB       GLU  24   9.813   3.737   2.405
  620   1HG   GLU  24          2HG       GLU  24   8.948   2.565   4.427
  621   2HG   GLU  24          1HG       GLU  24  10.358   1.511   4.350
  622    H    HIS  25           H        HIS  25   8.894   0.226   3.805
  623    HA   HIS  25           HA       HIS  25  10.816  -1.690   3.250
  624   1HB   HIS  25          2HB       HIS  25   9.044  -3.222   4.583
  625   2HB   HIS  25          1HB       HIS  25  10.100  -2.059   5.371
  626    HD1  HIS  25          1HD       HIS  25   8.997   0.177   6.174
  627    HD2  HIS  25          2HD       HIS  25   6.336  -2.658   4.710
  628    HE1  HIS  25          1HE       HIS  25   6.725   0.930   6.941
  629    HE2  HIS  25          2HE       HIS  25   5.153  -0.880   6.168
  630    H    GLY  26           H        GLY  26   7.666  -1.274   1.893
  631   1HA   GLY  26          1HA       GLY  26   8.140  -3.671   0.244
  632   2HA   GLY  26          2HA       GLY  26   7.328  -2.218  -0.314
  633    H    TYR  27           H        TYR  27   5.310  -1.659   1.069
  634    HA   TYR  27           HA       TYR  27   3.519  -3.858   0.811
  635   1HB   TYR  27          2HB       TYR  27   4.418  -3.041   3.550
  636   2HB   TYR  27          1HB       TYR  27   2.782  -3.634   3.304
  637    HD1  TYR  27          1HD       TYR  27   3.195  -5.758   1.315
  638    HD2  TYR  27          2HD       TYR  27   5.517  -4.718   4.726
  639    HE1  TYR  27          1HE       TYR  27   4.019  -8.070   1.454
  640    HE2  TYR  27          2HE       TYR  27   6.347  -7.027   4.872
  641    HH   TYR  27           HH       TYR  27   5.376  -9.389   4.059
  642    H    CYS  28           H        CYS  28   1.374  -3.217   0.794
  643    HA   CYS  28           HA       CYS  28   0.959  -0.315   0.790
  644   1HB   CYS  28          2HB       CYS  28  -0.067  -2.529  -0.783
  645   2HB   CYS  28          1HB       CYS  28  -1.379  -1.552  -0.132
  646    H    GLY  29           H        GLY  29   0.174   0.538   2.598
  647   1HA   GLY  29          1HA       GLY  29  -0.626  -0.382   4.900
  648   2HA   GLY  29          2HA       GLY  29  -2.033  -0.843   3.955
  649    H1   ARG   1          2HT       ARG   1  -7.601   4.165   3.511
  650    H2   ARG   1          1HT       ARG   1  -6.578   4.790   4.738
  651    H3   ARG   1          3HT       ARG   1  -6.068   3.450   3.800
  652    HA   ARG   1           HA       ARG   1  -6.717   2.586   5.821
  653   1HB   ARG   1          2HB       ARG   1  -8.186   4.859   6.041
  654   2HB   ARG   1          1HB       ARG   1  -9.460   3.686   5.734
  655   1HG   ARG   1          2HG       ARG   1  -9.364   2.940   7.817
  656   2HG   ARG   1          1HG       ARG   1  -7.624   2.673   7.699
  657   1HD   ARG   1          2HD       ARG   1  -7.765   4.219   9.413
  658   2HD   ARG   1          1HD       ARG   1  -7.470   5.245   8.009
  659    HE   ARG   1           HE       ARG   1  -9.535   6.174   8.307
  660   1HH1  ARG   1          1HH1      ARG   1  -9.403   3.168  10.075
  661   2HH1  ARG   1          2HH1      ARG   1 -10.938   3.406  10.840
  662   1HH2  ARG   1          1HH2      ARG   1 -11.554   6.488   9.313
  663   2HH2  ARG   1          2HH2      ARG   1 -12.160   5.290  10.407
  664    H    VAL   2           H        VAL   2  -9.365   3.214   3.510
  665    HA   VAL   2           HA       VAL   2 -10.191   0.450   3.579
  666    HB   VAL   2           HB       VAL   2 -11.789   1.188   1.757
  667   1HG1  VAL   2          3HG1      VAL   2 -12.360   1.080   4.167
  668   2HG1  VAL   2          2HG1      VAL   2 -11.899   2.775   4.318
  669   3HG1  VAL   2          1HG1      VAL   2 -13.259   2.320   3.292
  670   1HG2  VAL   2          2HG2      VAL   2 -10.088   3.313   1.495
  671   2HG2  VAL   2          1HG2      VAL   2 -11.737   3.246   0.873
  672   3HG2  VAL   2          3HG2      VAL   2 -11.411   4.010   2.429
  673    H    CYS   3           H        CYS   3  -9.014  -1.027   2.551
  674    HA   CYS   3           HA       CYS   3  -8.673  -0.976  -0.249
  675   1HB   CYS   3          2HB       CYS   3  -6.295  -0.750  -0.468
  676   2HB   CYS   3          1HB       CYS   3  -6.885   0.651   0.419
  677    HA   PRO   4           HA       PRO   4  -8.864  -5.342   0.601
  678   1HB   PRO   4          2HB       PRO   4  -7.161  -5.396  -1.861
  679   2HB   PRO   4          1HB       PRO   4  -8.577  -6.373  -1.454
  680   1HG   PRO   4          2HG       PRO   4  -8.790  -4.329  -3.142
  681   2HG   PRO   4          1HG       PRO   4 -10.066  -4.664  -1.956
  682   1HD   PRO   4          2HD       PRO   4  -8.025  -2.502  -1.983
  683   2HD   PRO   4          1HD       PRO   4  -9.667  -2.500  -1.310
  684    H    ARG   5           H        ARG   5  -7.645  -6.416   2.017
  685    HA   ARG   5           HA       ARG   5  -4.987  -5.688   2.627
  686   1HB   ARG   5          2HB       ARG   5  -5.026  -7.824   4.002
  687   2HB   ARG   5          1HB       ARG   5  -6.262  -6.631   4.380
  688   1HG   ARG   5          2HG       ARG   5  -7.331  -8.347   2.405
  689   2HG   ARG   5          1HG       ARG   5  -6.573  -9.360   3.636
  690   1HD   ARG   5          2HD       ARG   5  -7.826  -7.735   5.278
  691   2HD   ARG   5          1HD       ARG   5  -8.859  -7.462   3.875
  692    HE   ARG   5           HE       ARG   5  -8.753 -10.154   4.032
  693   1HH1  ARG   5          1HH1      ARG   5  -9.495  -7.670   6.369
  694   2HH1  ARG   5          2HH1      ARG   5 -10.580  -8.670   7.274
  695   1HH2  ARG   5          1HH2      ARG   5 -10.180 -11.471   5.223
  696   2HH2  ARG   5          2HH2      ARG   5 -10.968 -10.829   6.624
  697    H    ILE   6           H        ILE   6  -4.000  -5.822   0.514
  698    HA   ILE   6           HA       ILE   6  -3.099  -8.556  -0.098
  699    HB   ILE   6           HB       ILE   6  -3.566  -6.433  -2.189
  700   1HG1  ILE   6          2HG1      ILE   6  -5.715  -7.092  -1.243
  701   2HG1  ILE   6          1HG1      ILE   6  -5.537  -7.765  -2.859
  702   1HG2  ILE   6          3HG2      ILE   6  -2.494  -9.186  -2.181
  703   2HG2  ILE   6          2HG2      ILE   6  -3.559  -8.754  -3.519
  704   3HG2  ILE   6          1HG2      ILE   6  -2.098  -7.814  -3.216
  705   1HD1  ILE   6          1HD1      ILE   6  -4.535  -9.671  -1.033
  706   2HD1  ILE   6          3HD1      ILE   6  -6.090  -9.105  -0.424
  707   3HD1  ILE   6          2HD1      ILE   6  -5.969  -9.772  -2.053
  708    H    LEU   7           H        LEU   7  -0.951  -8.809  -0.279
  709    HA   LEU   7           HA       LEU   7   0.836  -6.852   0.581
  710   1HB   LEU   7          2HB       LEU   7   1.417  -9.272  -1.128
  711   2HB   LEU   7          1HB       LEU   7   2.604  -8.353  -0.224
  712    HG   LEU   7           HG       LEU   7   0.322  -9.904   1.000
  713   1HD1  LEU   7          2HD1      LEU   7   2.182 -11.224  -0.123
  714   2HD1  LEU   7          1HD1      LEU   7   3.244 -10.579   1.127
  715   3HD1  LEU   7          3HD1      LEU   7   1.862 -11.579   1.574
  716   1HD2  LEU   7          2HD2      LEU   7   1.780  -7.782   2.047
  717   2HD2  LEU   7          1HD2      LEU   7   0.814  -8.950   2.948
  718   3HD2  LEU   7          3HD2      LEU   7   2.542  -9.221   2.723
  719    H    LEU   8           H        LEU   8   2.034  -5.313  -0.408
  720    HA   LEU   8           HA       LEU   8   2.495  -5.290  -3.230
  721   1HB   LEU   8          2HB       LEU   8   0.051  -4.293  -2.519
  722   2HB   LEU   8          1HB       LEU   8   1.037  -2.845  -2.504
  723    HG   LEU   8           HG       LEU   8   1.274  -4.596  -4.886
  724   1HD1  LEU   8          3HD1      LEU   8  -1.210  -4.371  -4.197
  725   2HD1  LEU   8          2HD1      LEU   8  -1.032  -2.700  -4.732
  726   3HD1  LEU   8          1HD1      LEU   8  -0.743  -4.023  -5.861
  727   1HD2  LEU   8          3HD2      LEU   8   2.375  -2.273  -4.293
  728   2HD2  LEU   8          2HD2      LEU   8   1.890  -2.667  -5.941
  729   3HD2  LEU   8          1HD2      LEU   8   0.854  -1.654  -4.936
  730    H    GLU   9           H        GLU   9   4.537  -4.655  -3.254
  731    HA   GLU   9           HA       GLU   9   5.458  -2.661  -1.315
  732   1HB   GLU   9          2HB       GLU   9   7.712  -3.407  -1.873
  733   2HB   GLU   9          1HB       GLU   9   6.703  -4.778  -1.433
  734   1HG   GLU   9          2HG       GLU   9   6.327  -5.026  -3.971
  735   2HG   GLU   9          1HG       GLU   9   7.745  -3.989  -4.120
  736    H    CYS  10           H        CYS  10   6.064  -0.664  -1.885
  737    HA   CYS  10           HA       CYS  10   6.841  -0.043  -4.600
  738   1HB   CYS  10          2HB       CYS  10   4.872   1.917  -4.004
  739   2HB   CYS  10          1HB       CYS  10   4.880   0.751  -5.321
  740    H    LYS  11           H        LYS  11   7.497   2.256  -4.823
  741    HA   LYS  11           HA       LYS  11   8.908   3.088  -2.431
  742   1HB   LYS  11          2HB       LYS  11   9.228   3.432  -5.291
  743   2HB   LYS  11          1HB       LYS  11   9.375   4.970  -4.452
  744   1HG   LYS  11          2HG       LYS  11  11.548   4.003  -4.660
  745   2HG   LYS  11          1HG       LYS  11  11.068   3.940  -2.962
  746   1HD   LYS  11          2HD       LYS  11  10.192   1.559  -3.614
  747   2HD   LYS  11          1HD       LYS  11  11.335   1.726  -4.949
  748   1HE   LYS  11          2HE       LYS  11  12.334   0.583  -3.020
  749   2HE   LYS  11          1HE       LYS  11  13.149   2.104  -3.384
  750   1HZ   LYS  11          1HZ       LYS  11  10.995   1.998  -1.372
  751   2HZ   LYS  11          3HZ       LYS  11  12.578   1.565  -0.959
  752   3HZ   LYS  11          2HZ       LYS  11  12.248   3.123  -1.529
  753    H    LYS  12           H        LYS  12   6.940   4.835  -4.843
  754    HA   LYS  12           HA       LYS  12   6.348   6.921  -2.938
  755   1HB   LYS  12          2HB       LYS  12   6.715   7.401  -5.344
  756   2HB   LYS  12          1HB       LYS  12   5.262   6.489  -5.727
  757   1HG   LYS  12          2HG       LYS  12   4.120   8.374  -5.541
  758   2HG   LYS  12          1HG       LYS  12   4.459   8.342  -3.809
  759   1HD   LYS  12          2HD       LYS  12   6.317   9.558  -5.845
  760   2HD   LYS  12          1HD       LYS  12   5.078  10.476  -4.991
  761   1HE   LYS  12          2HE       LYS  12   6.409  10.701  -3.227
  762   2HE   LYS  12          1HE       LYS  12   6.588   8.952  -3.103
  763   1HZ   LYS  12          1HZ       LYS  12   8.256   9.355  -5.061
  764   2HZ   LYS  12          3HZ       LYS  12   8.332  10.913  -4.404
  765   3HZ   LYS  12          2HZ       LYS  12   8.737   9.573  -3.454
  766    H    ASP  13           H        ASP  13   4.573   7.096  -1.701
  767    HA   ASP  13           HA       ASP  13   2.875   4.967  -1.242
  768   1HB   ASP  13          2HB       ASP  13   2.199   7.856  -0.705
  769   2HB   ASP  13          1HB       ASP  13   1.539   6.450   0.112
  770    H    SER  14           H        SER  14   2.529   7.635  -3.461
  771    HA   SER  14           HA       SER  14  -0.157   7.433  -4.114
  772   1HB   SER  14          2HB       SER  14   2.180   8.682  -5.220
  773   2HB   SER  14          1HB       SER  14   1.235   7.964  -6.523
  774    H    ASP  15           H        ASP  15   2.558   5.450  -5.105
  775    HA   ASP  15           HA       ASP  15   1.532   4.132  -7.295
  776   1HB   ASP  15          2HB       ASP  15   3.800   3.906  -5.813
  777   2HB   ASP  15          1HB       ASP  15   2.982   2.404  -5.396
  778    H    CYS  16           H        CYS  16   0.796   3.604  -3.896
  779    HA   CYS  16           HA       CYS  16  -0.363   1.125  -3.936
  780   1HB   CYS  16          2HB       CYS  16  -0.131   2.925  -2.020
  781   2HB   CYS  16          1HB       CYS  16  -1.791   3.266  -2.422
  782    H    LEU  17           H        LEU  17  -2.789   0.726  -3.632
  783    HA   LEU  17           HA       LEU  17  -4.200   1.967  -5.904
  784   1HB   LEU  17          2HB       LEU  17  -5.402  -0.140  -6.173
  785   2HB   LEU  17          1HB       LEU  17  -3.669  -0.366  -6.319
  786    HG   LEU  17           HG       LEU  17  -3.962  -0.931  -3.706
  787   1HD1  LEU  17          2HD1      LEU  17  -6.623  -1.322  -4.973
  788   2HD1  LEU  17          1HD1      LEU  17  -6.058  -2.520  -3.808
  789   3HD1  LEU  17          3HD1      LEU  17  -6.213  -0.829  -3.331
  790   1HD2  LEU  17          1HD2      LEU  17  -3.177  -2.274  -5.880
  791   2HD2  LEU  17          3HD2      LEU  17  -3.391  -3.040  -4.305
  792   3HD2  LEU  17          2HD2      LEU  17  -4.662  -3.156  -5.523
  793    H    ALA  18           H        ALA  18  -6.657   1.680  -5.707
  794    HA   ALA  18           HA       ALA  18  -8.551   2.407  -4.676
  795   1HB   ALA  18          2HB       ALA  18  -8.332   0.149  -3.710
  796   2HB   ALA  18           3HB      ALA  18  -9.131   1.276  -2.614
  797   3HB   ALA  18          1HB       ALA  18  -7.444   0.835  -2.349
  798    H    GLU  19           H        GLU  19  -8.023   2.542  -1.442
  799    HA   GLU  19           HA       GLU  19  -7.042   5.313  -1.556
  800   1HB   GLU  19          2HB       GLU  19  -9.607   4.623  -0.955
  801   2HB   GLU  19          1HB       GLU  19  -8.881   4.631   0.646
  802   1HG   GLU  19          2HG       GLU  19  -8.369   6.891   0.542
  803   2HG   GLU  19          1HG       GLU  19  -8.490   6.937  -1.216
  804    H    CYS  20           H        CYS  20  -5.110   3.590  -1.186
  805    HA   CYS  20           HA       CYS  20  -4.584   3.708   1.702
  806   1HB   CYS  20          2HB       CYS  20  -4.686   1.346  -0.005
  807   2HB   CYS  20          1HB       CYS  20  -3.133   1.509   0.809
  808    H    VAL  21           H        VAL  21  -2.000   2.835   1.735
  809    HA   VAL  21           HA       VAL  21  -0.623   4.553  -0.210
  810    HB   VAL  21           HB       VAL  21   0.864   5.419   1.511
  811   1HG1  VAL  21          1HG1      VAL  21  -1.644   6.261   1.012
  812   2HG1  VAL  21          3HG1      VAL  21  -1.746   6.002   2.753
  813   3HG1  VAL  21          2HG1      VAL  21  -0.529   7.094   2.094
  814   1HG2  VAL  21          3HG2      VAL  21   0.663   3.427   3.021
  815   2HG2  VAL  21          2HG2      VAL  21   0.573   4.985   3.842
  816   3HG2  VAL  21          1HG2      VAL  21  -0.898   4.058   3.545
  817    H    CYS  22           H        CYS  22   1.654   4.147  -0.381
  818    HA   CYS  22           HA       CYS  22   2.275   1.297  -0.143
  819   1HB   CYS  22          2HB       CYS  22   3.247   3.499  -1.937
  820   2HB   CYS  22          1HB       CYS  22   4.241   2.078  -1.707
  821    H    LEU  23           H        LEU  23   3.888   0.564   1.132
  822    HA   LEU  23           HA       LEU  23   5.281   2.553   2.768
  823   1HB   LEU  23          2HB       LEU  23   5.180  -0.417   3.238
  824   2HB   LEU  23          1HB       LEU  23   5.602   0.843   4.383
  825    HG   LEU  23           HG       LEU  23   2.865   0.870   3.201
  826   1HD1  LEU  23          3HD1      LEU  23   3.422  -1.490   3.949
  827   2HD1  LEU  23          2HD1      LEU  23   3.520  -0.835   5.583
  828   3HD1  LEU  23          1HD1      LEU  23   2.008  -0.736   4.682
  829   1HD2  LEU  23          1HD2      LEU  23   3.889   2.615   4.776
  830   2HD2  LEU  23          3HD2      LEU  23   2.285   1.990   5.162
  831   3HD2  LEU  23          2HD2      LEU  23   3.699   1.392   6.032
  832    H    GLU  24           H        GLU  24   7.472   2.598   3.037
  833    HA   GLU  24           HA       GLU  24   9.091   2.066   0.855
  834   1HB   GLU  24          2HB       GLU  24  10.998   2.420   2.475
  835   2HB   GLU  24          1HB       GLU  24   9.799   3.703   2.410
  836   1HG   GLU  24          2HG       GLU  24   8.839   2.067   4.396
  837   2HG   GLU  24          1HG       GLU  24  10.585   1.987   4.620
  838    H    HIS  25           H        HIS  25   8.752   0.157   3.851
  839    HA   HIS  25           HA       HIS  25  10.727  -1.723   3.304
  840   1HB   HIS  25          2HB       HIS  25   9.396  -3.263   4.789
  841   2HB   HIS  25          1HB       HIS  25   9.780  -1.697   5.489
  842    HD1  HIS  25          1HD       HIS  25   7.856  -0.282   6.261
  843    HD2  HIS  25          2HD       HIS  25   6.641  -3.546   3.997
  844    HE1  HIS  25          1HE       HIS  25   5.355  -0.366   6.495
  845    HE2  HIS  25          2HE       HIS  25   4.672  -2.461   5.276
  846    H    GLY  26           H        GLY  26   7.622  -1.300   1.878
  847   1HA   GLY  26          1HA       GLY  26   8.108  -3.721   0.270
  848   2HA   GLY  26          2HA       GLY  26   7.301  -2.274  -0.308
  849    H    TYR  27           H        TYR  27   5.266  -1.711   1.049
  850    HA   TYR  27           HA       TYR  27   3.459  -3.880   0.743
  851   1HB   TYR  27          2HB       TYR  27   4.351  -3.164   3.510
  852   2HB   TYR  27          1HB       TYR  27   2.707  -3.721   3.239
  853    HD1  TYR  27          1HD       TYR  27   3.145  -5.784   1.162
  854    HD2  TYR  27          2HD       TYR  27   5.372  -4.901   4.677
  855    HE1  TYR  27          1HE       TYR  27   3.930  -8.112   1.243
  856    HE2  TYR  27          2HE       TYR  27   6.164  -7.227   4.766
  857    HH   TYR  27           HH       TYR  27   6.060  -9.302   2.275
  858    H    CYS  28           H        CYS  28   1.311  -3.214   0.767
  859    HA   CYS  28           HA       CYS  28   0.943  -0.307   0.822
  860   1HB   CYS  28          2HB       CYS  28  -0.144  -2.477  -0.776
  861   2HB   CYS  28          1HB       CYS  28  -1.423  -1.471  -0.106
  862    H    GLY  29           H        GLY  29   0.106   0.567   2.593
  863   1HA   GLY  29          1HA       GLY  29  -0.802  -0.692   4.838
  864   2HA   GLY  29          2HA       GLY  29  -2.238  -0.535   3.838
  865    H1   ARG   1          1HT       ARG   1  -6.582   0.264   5.931
  866    H2   ARG   1          3HT       ARG   1  -5.483   1.188   4.995
  867    H3   ARG   1          2HT       ARG   1  -5.842   1.657   6.607
  868    HA   ARG   1           HA       ARG   1  -7.944   2.337   6.088
  869   1HB   ARG   1          2HB       ARG   1  -5.675   3.280   4.675
  870   2HB   ARG   1          1HB       ARG   1  -7.026   3.327   3.551
  871   1HG   ARG   1          2HG       ARG   1  -6.993   5.429   4.582
  872   2HG   ARG   1          1HG       ARG   1  -8.310   4.549   5.362
  873   1HD   ARG   1          2HD       ARG   1  -7.223   4.413   7.353
  874   2HD   ARG   1          1HD       ARG   1  -5.630   4.337   6.603
  875    HE   ARG   1           HE       ARG   1  -6.823   6.897   6.265
  876   1HH1  ARG   1          1HH1      ARG   1  -5.151   4.892   8.579
  877   2HH1  ARG   1          2HH1      ARG   1  -4.512   6.234   9.468
  878   1HH2  ARG   1          1HH2      ARG   1  -5.983   8.664   7.431
  879   2HH2  ARG   1          2HH2      ARG   1  -4.985   8.375   8.816
  880    H    VAL   2           H        VAL   2  -9.077   2.980   3.658
  881    HA   VAL   2           HA       VAL   2 -10.446   0.588   3.009
  882    HB   VAL   2           HB       VAL   2 -10.440   3.137   1.393
  883   1HG1  VAL   2          2HG1      VAL   2 -11.485   0.984   0.492
  884   2HG1  VAL   2          1HG1      VAL   2 -12.701   1.196   1.751
  885   3HG1  VAL   2          3HG1      VAL   2 -12.492   2.432   0.512
  886   1HG2  VAL   2          1HG2      VAL   2 -11.592   2.517   4.039
  887   2HG2  VAL   2          3HG2      VAL   2 -11.122   4.066   3.338
  888   3HG2  VAL   2          2HG2      VAL   2 -12.662   3.330   2.897
  889    H    CYS   3           H        CYS   3  -9.007  -0.946   2.240
  890    HA   CYS   3           HA       CYS   3  -8.509  -0.922  -0.541
  891   1HB   CYS   3          2HB       CYS   3  -6.101  -0.854  -0.596
  892   2HB   CYS   3          1HB       CYS   3  -6.679   0.601   0.209
  893    HA   PRO   4           HA       PRO   4  -9.016  -5.268   0.259
  894   1HB   PRO   4          2HB       PRO   4  -7.113  -5.403  -2.050
  895   2HB   PRO   4          1HB       PRO   4  -8.600  -6.316  -1.767
  896   1HG   PRO   4          2HG       PRO   4  -8.582  -4.256  -3.450
  897   2HG   PRO   4          1HG       PRO   4  -9.965  -4.540  -2.376
  898   1HD   PRO   4          2HD       PRO   4  -7.847  -2.464  -2.225
  899   2HD   PRO   4          1HD       PRO   4  -9.530  -2.405  -1.667
  900    H    ARG   5           H        ARG   5  -7.942  -6.746   1.460
  901    HA   ARG   5           HA       ARG   5  -5.380  -6.083   2.515
  902   1HB   ARG   5          2HB       ARG   5  -6.766  -8.745   2.799
  903   2HB   ARG   5          1HB       ARG   5  -5.626  -7.993   3.907
  904   1HG   ARG   5          2HG       ARG   5  -7.357  -6.175   4.238
  905   2HG   ARG   5          1HG       ARG   5  -8.484  -7.237   3.389
  906   1HD   ARG   5          2HD       ARG   5  -7.435  -8.953   5.200
  907   2HD   ARG   5          1HD       ARG   5  -7.360  -7.441   6.103
  908    HE   ARG   5           HE       ARG   5  -9.905  -7.779   4.897
  909   1HH1  ARG   5          1HH1      ARG   5  -7.949  -8.890   7.564
  910   2HH1  ARG   5          2HH1      ARG   5  -9.309  -9.286   8.560
  911   1HH2  ARG   5          1HH2      ARG   5 -11.695  -8.298   6.204
  912   2HH2  ARG   5          2HH2      ARG   5 -11.437  -8.949   7.788
  913    H    ILE   6           H        ILE   6  -4.153  -6.009   0.528
  914    HA   ILE   6           HA       ILE   6  -3.104  -8.656  -0.177
  915    HB   ILE   6           HB       ILE   6  -3.638  -6.532  -2.251
  916   1HG1  ILE   6          2HG1      ILE   6  -5.203  -9.053  -1.656
  917   2HG1  ILE   6          1HG1      ILE   6  -5.762  -7.405  -1.382
  918   1HG2  ILE   6          1HG2      ILE   6  -1.831  -8.514  -2.352
  919   2HG2  ILE   6          3HG2      ILE   6  -3.247  -9.365  -2.969
  920   3HG2  ILE   6          2HG2      ILE   6  -2.681  -7.900  -3.771
  921   1HD1  ILE   6          1HD1      ILE   6  -5.443  -7.057  -3.879
  922   2HD1  ILE   6          3HD1      ILE   6  -5.303  -8.812  -3.986
  923   3HD1  ILE   6          2HD1      ILE   6  -6.784  -8.082  -3.368
  924    H    LEU   7           H        LEU   7  -0.975  -8.704   0.087
  925    HA   LEU   7           HA       LEU   7   0.573  -6.517   0.849
  926   1HB   LEU   7          2HB       LEU   7   1.499  -9.092  -0.428
  927   2HB   LEU   7          1HB       LEU   7   2.518  -7.968   0.453
  928    HG   LEU   7           HG       LEU   7   0.217  -9.525   1.638
  929   1HD1  LEU   7          3HD1      LEU   7   2.593 -10.568   0.915
  930   2HD1  LEU   7          2HD1      LEU   7   2.986  -9.982   2.531
  931   3HD1  LEU   7          1HD1      LEU   7   1.658 -11.121   2.304
  932   1HD2  LEU   7          2HD2      LEU   7   1.435  -7.160   2.518
  933   2HD2  LEU   7          1HD2      LEU   7   0.366  -8.223   3.431
  934   3HD2  LEU   7          3HD2      LEU   7   2.112  -8.448   3.512
  935    H    LEU   8           H        LEU   8   1.915  -5.111  -0.208
  936    HA   LEU   8           HA       LEU   8   2.551  -5.411  -2.989
  937   1HB   LEU   8          2HB       LEU   8   0.096  -4.336  -2.557
  938   2HB   LEU   8          1HB       LEU   8   1.086  -2.888  -2.559
  939    HG   LEU   8           HG       LEU   8   1.823  -4.519  -4.798
  940   1HD1  LEU   8          1HD1      LEU   8  -1.122  -3.994  -4.476
  941   2HD1  LEU   8          3HD1      LEU   8  -0.351  -4.310  -6.030
  942   3HD1  LEU   8          2HD1      LEU   8  -0.322  -5.538  -4.766
  943   1HD2  LEU   8          1HD2      LEU   8   0.850  -1.776  -4.248
  944   2HD2  LEU   8          3HD2      LEU   8   2.283  -2.319  -5.119
  945   3HD2  LEU   8          2HD2      LEU   8   0.703  -2.373  -5.901
  946    H    GLU   9           H        GLU   9   4.555  -4.681  -3.142
  947    HA   GLU   9           HA       GLU   9   5.480  -2.639  -1.254
  948   1HB   GLU   9          2HB       GLU   9   7.747  -3.359  -1.911
  949   2HB   GLU   9          1HB       GLU   9   6.778  -4.691  -1.295
  950   1HG   GLU   9          2HG       GLU   9   6.403  -5.523  -3.509
  951   2HG   GLU   9          1HG       GLU   9   7.181  -4.110  -4.219
  952    H    CYS  10           H        CYS  10   6.074  -0.649  -1.870
  953    HA   CYS  10           HA       CYS  10   6.807  -0.071  -4.604
  954   1HB   CYS  10          2HB       CYS  10   4.826   1.883  -4.030
  955   2HB   CYS  10          1HB       CYS  10   4.833   0.691  -5.323
  956    H    LYS  11           H        LYS  11   7.495   2.189  -4.887
  957    HA   LYS  11           HA       LYS  11   8.919   3.093  -2.538
  958   1HB   LYS  11          2HB       LYS  11   9.245   3.305  -5.372
  959   2HB   LYS  11          1HB       LYS  11   9.226   4.926  -4.693
  960   1HG   LYS  11          2HG       LYS  11  11.370   4.647  -4.218
  961   2HG   LYS  11          1HG       LYS  11  10.869   3.493  -2.981
  962   1HD   LYS  11          2HD       LYS  11  11.857   1.843  -4.097
  963   2HD   LYS  11          1HD       LYS  11  10.848   2.172  -5.506
  964   1HE   LYS  11          2HE       LYS  11  13.234   2.279  -6.052
  965   2HE   LYS  11          1HE       LYS  11  12.439   3.836  -6.284
  966   1HZ   LYS  11          3HZ       LYS  11  13.567   3.469  -3.655
  967   2HZ   LYS  11          2HZ       LYS  11  14.716   3.459  -4.896
  968   3HZ   LYS  11          1HZ       LYS  11  13.685   4.787  -4.711
  969    H    LYS  12           H        LYS  12   6.942   4.843  -4.939
  970    HA   LYS  12           HA       LYS  12   6.349   6.926  -3.040
  971   1HB   LYS  12          2HB       LYS  12   6.681   7.414  -5.434
  972   2HB   LYS  12          1HB       LYS  12   5.263   6.450  -5.823
  973   1HG   LYS  12          2HG       LYS  12   3.806   8.000  -4.822
  974   2HG   LYS  12          1HG       LYS  12   5.130   8.840  -4.012
  975   1HD   LYS  12          2HD       LYS  12   4.650   8.739  -6.991
  976   2HD   LYS  12          1HD       LYS  12   4.314  10.112  -5.934
  977   1HE   LYS  12          2HE       LYS  12   6.386  10.827  -6.290
  978   2HE   LYS  12          1HE       LYS  12   6.982   9.399  -5.446
  979   1HZ   LYS  12          2HZ       LYS  12   6.810   8.231  -7.651
  980   2HZ   LYS  12          1HZ       LYS  12   6.568   9.748  -8.358
  981   3HZ   LYS  12          3HZ       LYS  12   8.014   9.414  -7.544
  982    H    ASP  13           H        ASP  13   4.592   7.099  -1.771
  983    HA   ASP  13           HA       ASP  13   2.913   4.966  -1.267
  984   1HB   ASP  13          2HB       ASP  13   2.218   7.857  -0.758
  985   2HB   ASP  13          1HB       ASP  13   1.584   6.455   0.087
  986    H    SER  14           H        SER  14   2.452   7.666  -3.451
  987    HA   SER  14           HA       SER  14  -0.222   7.393  -4.083
  988   1HB   SER  14          2HB       SER  14   2.110   8.156  -5.853
  989   2HB   SER  14          1HB       SER  14   0.423   8.310  -6.342
  990    H    ASP  15           H        ASP  15   2.513   5.459  -5.111
  991    HA   ASP  15           HA       ASP  15   1.493   4.115  -7.283
  992   1HB   ASP  15          2HB       ASP  15   3.780   3.931  -5.867
  993   2HB   ASP  15          1HB       ASP  15   2.984   2.451  -5.340
  994    H    CYS  16           H        CYS  16   0.781   3.595  -3.879
  995    HA   CYS  16           HA       CYS  16  -0.364   1.103  -3.918
  996   1HB   CYS  16          2HB       CYS  16  -0.101   2.885  -1.992
  997   2HB   CYS  16          1HB       CYS  16  -1.764   3.244  -2.370
  998    H    LEU  17           H        LEU  17  -2.804   0.725  -3.563
  999    HA   LEU  17           HA       LEU  17  -4.238   1.988  -5.807
 1000   1HB   LEU  17          2HB       LEU  17  -5.332  -0.069  -6.256
 1001   2HB   LEU  17          1HB       LEU  17  -3.622  -0.422  -6.107
 1002    HG   LEU  17           HG       LEU  17  -5.493  -0.802  -3.788
 1003   1HD1  LEU  17          3HD1      LEU  17  -6.255  -2.042  -5.869
 1004   2HD1  LEU  17          2HD1      LEU  17  -4.763  -2.972  -5.729
 1005   3HD1  LEU  17          1HD1      LEU  17  -5.953  -3.013  -4.428
 1006   1HD2  LEU  17          3HD2      LEU  17  -2.695  -1.471  -4.459
 1007   2HD2  LEU  17          2HD2      LEU  17  -3.429  -1.071  -2.905
 1008   3HD2  LEU  17          1HD2      LEU  17  -3.610  -2.692  -3.574
 1009    H    ALA  18           H        ALA  18  -6.709   1.627  -5.564
 1010    HA   ALA  18           HA       ALA  18  -8.581   2.355  -4.489
 1011   1HB   ALA  18          2HB       ALA  18  -8.368   0.100  -3.558
 1012   2HB   ALA  18           3HB      ALA  18  -9.088   1.213  -2.397
 1013   3HB   ALA  18          1HB       ALA  18  -7.398   0.740  -2.232
 1014    H    GLU  19           H        GLU  19  -7.986   2.457  -1.266
 1015    HA   GLU  19           HA       GLU  19  -7.029   5.238  -1.368
 1016   1HB   GLU  19          2HB       GLU  19  -9.573   4.579  -0.759
 1017   2HB   GLU  19          1HB       GLU  19  -8.848   4.459   0.837
 1018   1HG   GLU  19          2HG       GLU  19  -8.860   6.657   1.068
 1019   2HG   GLU  19          1HG       GLU  19  -7.974   6.867  -0.442
 1020    H    CYS  20           H        CYS  20  -5.065   3.556  -1.057
 1021    HA   CYS  20           HA       CYS  20  -4.482   3.645   1.819
 1022   1HB   CYS  20          2HB       CYS  20  -4.503   1.295   0.044
 1023   2HB   CYS  20          1HB       CYS  20  -3.038   1.467   1.005
 1024    H    VAL  21           H        VAL  21  -1.905   2.857   1.851
 1025    HA   VAL  21           HA       VAL  21  -0.575   4.555  -0.146
 1026    HB   VAL  21           HB       VAL  21   0.921   5.464   1.526
 1027   1HG1  VAL  21          3HG1      VAL  21  -2.010   5.754   2.147
 1028   2HG1  VAL  21          2HG1      VAL  21  -0.763   6.761   2.882
 1029   3HG1  VAL  21          1HG1      VAL  21  -1.004   6.788   1.135
 1030   1HG2  VAL  21          1HG2      VAL  21   0.911   3.519   3.051
 1031   2HG2  VAL  21          3HG2      VAL  21   0.646   5.044   3.897
 1032   3HG2  VAL  21          2HG2      VAL  21  -0.712   3.964   3.577
 1033    H    CYS  22           H        CYS  22   1.691   4.158  -0.384
 1034    HA   CYS  22           HA       CYS  22   2.342   1.317  -0.116
 1035   1HB   CYS  22          2HB       CYS  22   3.239   3.494  -1.978
 1036   2HB   CYS  22          1HB       CYS  22   4.253   2.085  -1.751
 1037    H    LEU  23           H        LEU  23   3.970   0.621   1.149
 1038    HA   LEU  23           HA       LEU  23   5.419   2.644   2.691
 1039   1HB   LEU  23          2HB       LEU  23   5.360  -0.308   3.250
 1040   2HB   LEU  23          1HB       LEU  23   5.746   1.001   4.352
 1041    HG   LEU  23           HG       LEU  23   3.006   0.906   3.180
 1042   1HD1  LEU  23          3HD1      LEU  23   4.141  -1.263   4.650
 1043   2HD1  LEU  23          2HD1      LEU  23   2.917  -0.467   5.638
 1044   3HD1  LEU  23          1HD1      LEU  23   2.501  -1.073   4.036
 1045   1HD2  LEU  23          1HD2      LEU  23   4.142   1.726   5.850
 1046   2HD2  LEU  23          3HD2      LEU  23   3.634   2.799   4.546
 1047   3HD2  LEU  23          2HD2      LEU  23   2.440   1.819   5.399
 1048    H    GLU  24           H        GLU  24   7.628   2.656   2.917
 1049    HA   GLU  24           HA       GLU  24   9.181   2.040   0.701
 1050   1HB   GLU  24          2HB       GLU  24  11.131   2.474   2.183
 1051   2HB   GLU  24          1HB       GLU  24   9.890   3.717   2.273
 1052   1HG   GLU  24          2HG       GLU  24   9.042   2.656   4.340
 1053   2HG   GLU  24          1HG       GLU  24  10.387   1.518   4.265
 1054    H    HIS  25           H        HIS  25   8.903   0.263   3.775
 1055    HA   HIS  25           HA       HIS  25  10.798  -1.698   3.285
 1056   1HB   HIS  25          2HB       HIS  25   8.979  -3.157   4.654
 1057   2HB   HIS  25          1HB       HIS  25  10.077  -2.014   5.410
 1058    HD1  HIS  25          1HD       HIS  25   9.051   0.294   6.137
 1059    HD2  HIS  25          2HD       HIS  25   6.296  -2.517   4.806
 1060    HE1  HIS  25          1HE       HIS  25   6.811   1.134   6.905
 1061    HE2  HIS  25          2HE       HIS  25   5.181  -0.658   6.218
 1062    H    GLY  26           H        GLY  26   7.668  -1.265   1.893
 1063   1HA   GLY  26          1HA       GLY  26   8.111  -3.717   0.317
 1064   2HA   GLY  26          2HA       GLY  26   7.320  -2.269  -0.282
 1065    H    TYR  27           H        TYR  27   5.311  -1.646   1.107
 1066    HA   TYR  27           HA       TYR  27   3.493  -3.834   0.893
 1067   1HB   TYR  27          2HB       TYR  27   4.375  -2.935   3.615
 1068   2HB   TYR  27          1HB       TYR  27   2.750  -3.559   3.368
 1069    HD1  TYR  27          1HD       TYR  27   2.802  -5.847   1.870
 1070    HD2  TYR  27          2HD       TYR  27   5.902  -4.446   4.424
 1071    HE1  TYR  27          1HE       TYR  27   3.656  -8.143   2.084
 1072    HE2  TYR  27          2HE       TYR  27   6.765  -6.737   4.644
 1073    HH   TYR  27           HH       TYR  27   6.043  -9.009   4.399
 1074    H    CYS  28           H        CYS  28   1.350  -3.175   0.873
 1075    HA   CYS  28           HA       CYS  28   0.963  -0.271   0.775
 1076   1HB   CYS  28          2HB       CYS  28  -0.070  -2.513  -0.738
 1077   2HB   CYS  28          1HB       CYS  28  -1.388  -1.545  -0.091
 1078    H    GLY  29           H        GLY  29   0.226   0.632   2.581
 1079   1HA   GLY  29          1HA       GLY  29  -0.686  -0.447   4.866
 1080   2HA   GLY  29          2HA       GLY  29  -2.134  -0.459   3.868
 1081    H1   ARG   1          1HT       ARG   1 -13.532   3.480   1.549
 1082    H2   ARG   1          3HT       ARG   1 -13.872   4.650   0.344
 1083    H3   ARG   1          2HT       ARG   1 -13.443   3.051  -0.110
 1084    HA   ARG   1           HA       ARG   1 -11.560   4.283  -0.465
 1085   1HB   ARG   1          2HB       ARG   1 -10.700   5.878   1.173
 1086   2HB   ARG   1          1HB       ARG   1 -12.354   6.278   0.733
 1087   1HG   ARG   1          2HG       ARG   1 -12.360   4.539   3.007
 1088   2HG   ARG   1          1HG       ARG   1 -11.286   5.907   3.303
 1089   1HD   ARG   1          2HD       ARG   1 -13.497   7.067   2.124
 1090   2HD   ARG   1          1HD       ARG   1 -14.190   5.810   3.148
 1091    HE   ARG   1           HE       ARG   1 -13.556   7.007   4.997
 1092   1HH1  ARG   1          1HH1      ARG   1 -11.917   8.287   2.193
 1093   2HH1  ARG   1          2HH1      ARG   1 -11.287   9.664   3.035
 1094   1HH2  ARG   1          1HH2      ARG   1 -12.727   8.815   6.106
 1095   2HH2  ARG   1          2HH2      ARG   1 -11.746   9.964   5.257
 1096    H    VAL   2           H        VAL   2 -12.157   1.684   0.566
 1097    HA   VAL   2           HA       VAL   2  -9.912   1.237   2.419
 1098    HB   VAL   2           HB       VAL   2 -12.094   0.471   3.258
 1099   1HG1  VAL   2          1HG1      VAL   2 -12.624  -0.249   0.680
 1100   2HG1  VAL   2          3HG1      VAL   2 -12.293  -1.810   1.434
 1101   3HG1  VAL   2          2HG1      VAL   2 -13.554  -0.764   2.088
 1102   1HG2  VAL   2          3HG2      VAL   2 -10.082  -1.672   2.602
 1103   2HG2  VAL   2          2HG2      VAL   2 -10.182  -0.696   4.068
 1104   3HG2  VAL   2          1HG2      VAL   2 -11.424  -1.900   3.724
 1105    H    CYS   3           H        CYS   3  -8.272  -0.121   1.878
 1106    HA   CYS   3           HA       CYS   3  -8.249  -1.088  -0.889
 1107   1HB   CYS   3          2HB       CYS   3  -5.845  -1.104  -0.738
 1108   2HB   CYS   3          1HB       CYS   3  -6.427   0.443  -0.135
 1109    HA   PRO   4           HA       PRO   4  -8.979  -5.301   0.347
 1110   1HB   PRO   4          2HB       PRO   4  -6.996  -5.782  -1.842
 1111   2HB   PRO   4          1HB       PRO   4  -8.552  -6.567  -1.542
 1112   1HG   PRO   4          2HG       PRO   4  -8.321  -4.712  -3.433
 1113   2HG   PRO   4          1HG       PRO   4  -9.766  -4.787  -2.409
 1114   1HD   PRO   4          2HD       PRO   4  -7.502  -2.858  -2.353
 1115   2HD   PRO   4          1HD       PRO   4  -9.209  -2.611  -1.937
 1116    H    ARG   5           H        ARG   5  -7.874  -7.037   1.340
 1117    HA   ARG   5           HA       ARG   5  -5.413  -6.260   2.635
 1118   1HB   ARG   5          2HB       ARG   5  -7.365  -8.508   2.938
 1119   2HB   ARG   5          1HB       ARG   5  -5.756  -8.673   3.629
 1120   1HG   ARG   5          2HG       ARG   5  -6.204  -7.272   5.311
 1121   2HG   ARG   5          1HG       ARG   5  -7.056  -6.136   4.266
 1122   1HD   ARG   5          2HD       ARG   5  -8.914  -6.825   5.294
 1123   2HD   ARG   5          1HD       ARG   5  -8.756  -8.294   4.333
 1124    HE   ARG   5           HE       ARG   5  -8.265  -7.998   7.160
 1125   1HH1  ARG   5          1HH1      ARG   5  -7.667  -9.933   4.315
 1126   2HH1  ARG   5          2HH1      ARG   5  -7.319 -11.371   5.217
 1127   1HH2  ARG   5          1HH2      ARG   5  -7.807  -9.887   8.342
 1128   2HH2  ARG   5          2HH2      ARG   5  -7.398 -11.345   7.500
 1129    H    ILE   6           H        ILE   6  -4.085  -6.232   0.710
 1130    HA   ILE   6           HA       ILE   6  -2.957  -8.876   0.166
 1131    HB   ILE   6           HB       ILE   6  -3.541  -6.933  -2.066
 1132   1HG1  ILE   6          2HG1      ILE   6  -4.996  -9.504  -1.411
 1133   2HG1  ILE   6          1HG1      ILE   6  -5.623  -7.892  -1.077
 1134   1HG2  ILE   6          3HG2      ILE   6  -2.120  -9.503  -1.834
 1135   2HG2  ILE   6          2HG2      ILE   6  -3.182  -9.333  -3.231
 1136   3HG2  ILE   6          1HG2      ILE   6  -1.884  -8.169  -2.964
 1137   1HD1  ILE   6          1HD1      ILE   6  -4.901  -8.867  -3.826
 1138   2HD1  ILE   6          3HD1      ILE   6  -6.521  -8.959  -3.136
 1139   3HD1  ILE   6          2HD1      ILE   6  -5.763  -7.389  -3.399
 1140    H    LEU   7           H        LEU   7  -0.789  -8.880   0.102
 1141    HA   LEU   7           HA       LEU   7   0.693  -6.646   0.917
 1142   1HB   LEU   7          2HB       LEU   7   1.648  -9.148  -0.476
 1143   2HB   LEU   7          1HB       LEU   7   2.675  -8.002   0.364
 1144    HG   LEU   7           HG       LEU   7   0.587  -9.803   1.584
 1145   1HD1  LEU   7          2HD1      LEU   7   3.127 -10.409   0.920
 1146   2HD1  LEU   7          1HD1      LEU   7   3.368  -9.763   2.543
 1147   3HD1  LEU   7          3HD1      LEU   7   2.270 -11.119   2.289
 1148   1HD2  LEU   7          2HD2      LEU   7   1.725  -7.295   2.541
 1149   2HD2  LEU   7          1HD2      LEU   7   0.338  -8.210   3.131
 1150   3HD2  LEU   7          3HD2      LEU   7   1.966  -8.640   3.655
 1151    H    LEU   8           H        LEU   8   1.920  -5.149  -0.154
 1152    HA   LEU   8           HA       LEU   8   2.389  -5.337  -2.989
 1153   1HB   LEU   8          2HB       LEU   8  -0.010  -4.186  -2.196
 1154   2HB   LEU   8          1HB       LEU   8   1.039  -2.809  -2.473
 1155    HG   LEU   8           HG       LEU   8   1.530  -4.219  -4.724
 1156   1HD1  LEU   8          1HD1      LEU   8  -0.449  -5.729  -3.691
 1157   2HD1  LEU   8          3HD1      LEU   8  -1.390  -4.577  -4.639
 1158   3HD1  LEU   8          2HD1      LEU   8  -0.145  -5.553  -5.419
 1159   1HD2  LEU   8          3HD2      LEU   8  -0.324  -2.040  -3.987
 1160   2HD2  LEU   8          2HD2      LEU   8   0.998  -2.062  -5.153
 1161   3HD2  LEU   8          1HD2      LEU   8  -0.559  -2.774  -5.574
 1162    H    GLU   9           H        GLU   9   4.433  -4.693  -3.130
 1163    HA   GLU   9           HA       GLU   9   5.423  -2.645  -1.283
 1164   1HB   GLU   9          2HB       GLU   9   7.671  -3.401  -2.001
 1165   2HB   GLU   9          1HB       GLU   9   6.702  -4.696  -1.311
 1166   1HG   GLU   9          2HG       GLU   9   7.054  -5.909  -3.120
 1167   2HG   GLU   9          1HG       GLU   9   6.219  -4.696  -4.088
 1168    H    CYS  10           H        CYS  10   6.000  -0.665  -1.928
 1169    HA   CYS  10           HA       CYS  10   6.657  -0.129  -4.702
 1170   1HB   CYS  10          2HB       CYS  10   4.784   1.899  -3.987
 1171   2HB   CYS  10          1HB       CYS  10   4.691   0.744  -5.310
 1172    H    LYS  11           H        LYS  11   7.370   2.145  -5.017
 1173    HA   LYS  11           HA       LYS  11   9.006   2.956  -2.774
 1174   1HB   LYS  11          2HB       LYS  11   8.787   3.837  -5.641
 1175   2HB   LYS  11          1HB       LYS  11   9.730   4.760  -4.480
 1176   1HG   LYS  11          2HG       LYS  11  11.059   2.725  -4.009
 1177   2HG   LYS  11          1HG       LYS  11  10.165   1.892  -5.283
 1178   1HD   LYS  11          2HD       LYS  11  10.991   3.449  -6.936
 1179   2HD   LYS  11          1HD       LYS  11  11.788   4.403  -5.683
 1180   1HE   LYS  11          2HE       LYS  11  13.121   2.337  -5.125
 1181   2HE   LYS  11          1HE       LYS  11  12.459   1.611  -6.589
 1182   1HZ   LYS  11          2HZ       LYS  11  13.368   3.904  -7.561
 1183   2HZ   LYS  11          1HZ       LYS  11  14.468   3.691  -6.295
 1184   3HZ   LYS  11          3HZ       LYS  11  14.307   2.500  -7.486
 1185    H    LYS  12           H        LYS  12   6.783   4.720  -4.941
 1186    HA   LYS  12           HA       LYS  12   6.421   6.782  -2.930
 1187   1HB   LYS  12          2HB       LYS  12   6.667   7.383  -5.315
 1188   2HB   LYS  12          1HB       LYS  12   5.190   6.501  -5.677
 1189   1HG   LYS  12          2HG       LYS  12   4.151   8.450  -5.421
 1190   2HG   LYS  12          1HG       LYS  12   4.394   8.216  -3.689
 1191   1HD   LYS  12          2HD       LYS  12   6.414   9.510  -3.740
 1192   2HD   LYS  12          1HD       LYS  12   6.360   9.609  -5.500
 1193   1HE   LYS  12          2HE       LYS  12   5.596  11.676  -4.339
 1194   2HE   LYS  12          1HE       LYS  12   4.400  10.979  -5.431
 1195   1HZ   LYS  12          2HZ       LYS  12   4.261  10.084  -2.673
 1196   2HZ   LYS  12          1HZ       LYS  12   3.868  11.709  -2.929
 1197   3HZ   LYS  12          3HZ       LYS  12   3.017  10.493  -3.744
 1198    H    ASP  13           H        ASP  13   4.599   7.119  -1.731
 1199    HA   ASP  13           HA       ASP  13   2.916   4.970  -1.187
 1200   1HB   ASP  13          2HB       ASP  13   2.291   7.868  -0.625
 1201   2HB   ASP  13          1HB       ASP  13   1.639   6.467   0.207
 1202    H    SER  14           H        SER  14   2.533   7.668  -3.374
 1203    HA   SER  14           HA       SER  14  -0.172   7.455  -3.968
 1204   1HB   SER  14          2HB       SER  14   2.196   8.319  -5.622
 1205   2HB   SER  14          1HB       SER  14   0.560   8.334  -6.278
 1206    H    ASP  15           H        ASP  15   2.556   5.539  -5.037
 1207    HA   ASP  15           HA       ASP  15   1.551   4.233  -7.234
 1208   1HB   ASP  15          2HB       ASP  15   3.818   4.013  -5.810
 1209   2HB   ASP  15          1HB       ASP  15   3.007   2.544  -5.278
 1210    H    CYS  16           H        CYS  16   0.790   3.660  -3.849
 1211    HA   CYS  16           HA       CYS  16  -0.372   1.176  -3.949
 1212   1HB   CYS  16          2HB       CYS  16  -0.101   2.894  -1.979
 1213   2HB   CYS  16          1HB       CYS  16  -1.752   3.305  -2.364
 1214    H    LEU  17           H        LEU  17  -2.795   0.783  -3.643
 1215    HA   LEU  17           HA       LEU  17  -4.219   2.099  -5.862
 1216   1HB   LEU  17          2HB       LEU  17  -5.419   0.018  -6.211
 1217   2HB   LEU  17          1HB       LEU  17  -3.689  -0.244  -6.316
 1218    HG   LEU  17           HG       LEU  17  -4.022  -0.876  -3.743
 1219   1HD1  LEU  17          3HD1      LEU  17  -6.606  -0.418  -4.370
 1220   2HD1  LEU  17          2HD1      LEU  17  -6.490  -2.144  -4.714
 1221   3HD1  LEU  17          1HD1      LEU  17  -6.077  -1.534  -3.111
 1222   1HD2  LEU  17          1HD2      LEU  17  -4.152  -2.428  -6.258
 1223   2HD2  LEU  17          3HD2      LEU  17  -3.007  -2.525  -4.921
 1224   3HD2  LEU  17          2HD2      LEU  17  -4.599  -3.270  -4.775
 1225    H    ALA  18           H        ALA  18  -6.681   1.807  -5.640
 1226    HA   ALA  18           HA       ALA  18  -8.556   2.516  -4.562
 1227   1HB   ALA  18           3HB      ALA  18  -8.368   0.246  -3.659
 1228   2HB   ALA  18          1HB       ALA  18  -9.085   1.352  -2.488
 1229   3HB   ALA  18          2HB       ALA  18  -7.401   0.860  -2.318
 1230    H    GLU  19           H        GLU  19  -7.979   2.571  -1.334
 1231    HA   GLU  19           HA       GLU  19  -6.980   5.337  -1.397
 1232   1HB   GLU  19          2HB       GLU  19  -9.492   4.285  -0.376
 1233   2HB   GLU  19          1HB       GLU  19  -8.597   5.148   0.866
 1234   1HG   GLU  19          2HG       GLU  19  -8.709   6.523  -1.713
 1235   2HG   GLU  19          1HG       GLU  19 -10.275   6.290  -0.938
 1236    H    CYS  20           H        CYS  20  -5.050   3.635  -1.085
 1237    HA   CYS  20           HA       CYS  20  -4.491   3.671   1.797
 1238   1HB   CYS  20          2HB       CYS  20  -4.480   1.349  -0.036
 1239   2HB   CYS  20          1HB       CYS  20  -3.080   1.485   1.022
 1240    H    VAL  21           H        VAL  21  -1.958   2.978   1.952
 1241    HA   VAL  21           HA       VAL  21  -0.570   4.632  -0.048
 1242    HB   VAL  21           HB       VAL  21   0.908   5.511   1.651
 1243   1HG1  VAL  21          3HG1      VAL  21  -1.639   6.291   1.251
 1244   2HG1  VAL  21          2HG1      VAL  21  -1.672   6.001   2.990
 1245   3HG1  VAL  21          1HG1      VAL  21  -0.508   7.137   2.307
 1246   1HG2  VAL  21          3HG2      VAL  21   0.875   3.532   3.141
 1247   2HG2  VAL  21          2HG2      VAL  21   0.631   5.048   4.008
 1248   3HG2  VAL  21          1HG2      VAL  21  -0.742   3.992   3.674
 1249    H    CYS  22           H        CYS  22   1.680   4.206  -0.291
 1250    HA   CYS  22           HA       CYS  22   2.303   1.356  -0.044
 1251   1HB   CYS  22          2HB       CYS  22   3.227   3.534  -1.893
 1252   2HB   CYS  22          1HB       CYS  22   4.217   2.108  -1.680
 1253    H    LEU  23           H        LEU  23   3.961   0.629   1.168
 1254    HA   LEU  23           HA       LEU  23   5.416   2.615   2.750
 1255   1HB   LEU  23          2HB       LEU  23   5.360  -0.354   3.225
 1256   2HB   LEU  23          1HB       LEU  23   5.774   0.918   4.359
 1257    HG   LEU  23           HG       LEU  23   3.013   0.877   3.235
 1258   1HD1  LEU  23          1HD1      LEU  23   4.195  -1.269   4.812
 1259   2HD1  LEU  23          3HD1      LEU  23   2.766  -0.555   5.560
 1260   3HD1  LEU  23          2HD1      LEU  23   2.670  -1.216   3.928
 1261   1HD2  LEU  23          2HD2      LEU  23   3.828   2.703   4.694
 1262   2HD2  LEU  23          1HD2      LEU  23   2.458   1.825   5.377
 1263   3HD2  LEU  23          3HD2      LEU  23   4.090   1.520   5.975
 1264    H    GLU  24           H        GLU  24   7.623   2.669   2.902
 1265    HA   GLU  24           HA       GLU  24   9.142   2.097   0.659
 1266   1HB   GLU  24          2HB       GLU  24  11.117   2.500   2.120
 1267   2HB   GLU  24          1HB       GLU  24   9.876   3.738   2.257
 1268   1HG   GLU  24          2HG       GLU  24   9.046   2.441   4.286
 1269   2HG   GLU  24          1HG       GLU  24  10.578   1.574   4.207
 1270    H    HIS  25           H        HIS  25   8.930   0.251   3.696
 1271    HA   HIS  25           HA       HIS  25  10.817  -1.699   3.110
 1272   1HB   HIS  25          2HB       HIS  25   9.045  -3.176   4.524
 1273   2HB   HIS  25          1HB       HIS  25  10.176  -2.048   5.255
 1274    HD1  HIS  25          1HD       HIS  25   9.180   0.276   6.018
 1275    HD2  HIS  25          2HD       HIS  25   6.379  -2.552   4.830
 1276    HE1  HIS  25          1HE       HIS  25   6.975   1.109   6.889
 1277    HE2  HIS  25          2HE       HIS  25   5.323  -0.693   6.286
 1278    H    GLY  26           H        GLY  26   7.621  -1.259   1.860
 1279   1HA   GLY  26          1HA       GLY  26   8.002  -3.693   0.239
 1280   2HA   GLY  26          2HA       GLY  26   7.206  -2.235  -0.326
 1281    H    TYR  27           H        TYR  27   5.223  -1.605   1.036
 1282    HA   TYR  27           HA       TYR  27   3.404  -3.799   0.931
 1283   1HB   TYR  27          2HB       TYR  27   4.342  -2.814   3.601
 1284   2HB   TYR  27          1HB       TYR  27   2.707  -3.432   3.412
 1285    HD1  TYR  27          1HD       TYR  27   3.058  -5.690   1.607
 1286    HD2  TYR  27          2HD       TYR  27   5.525  -4.388   4.819
 1287    HE1  TYR  27          1HE       TYR  27   3.900  -7.983   1.884
 1288    HE2  TYR  27          2HE       TYR  27   6.375  -6.678   5.102
 1289    HH   TYR  27           HH       TYR  27   5.034  -9.263   4.184
 1290    H    CYS  28           H        CYS  28   1.277  -3.132   0.864
 1291    HA   CYS  28           HA       CYS  28   0.885  -0.229   0.730
 1292   1HB   CYS  28          2HB       CYS  28  -0.132  -2.488  -0.765
 1293   2HB   CYS  28          1HB       CYS  28  -1.459  -1.520  -0.135
 1294    H    GLY  29           H        GLY  29   0.259   0.618   2.618
 1295   1HA   GLY  29          1HA       GLY  29  -0.638  -0.292   4.896
 1296   2HA   GLY  29          2HA       GLY  29  -2.083  -0.561   3.933
 1297    H1   ARG   1          2HT       ARG   1 -13.710   3.394   1.707
 1298    H2   ARG   1          1HT       ARG   1 -14.392   4.288   0.410
 1299    H3   ARG   1          3HT       ARG   1 -14.059   2.618   0.217
 1300    HA   ARG   1           HA       ARG   1 -12.369   3.670  -0.884
 1301   1HB   ARG   1          2HB       ARG   1 -11.115   5.542   0.148
 1302   2HB   ARG   1          1HB       ARG   1 -12.820   5.913  -0.074
 1303   1HG   ARG   1          2HG       ARG   1 -13.224   6.040   2.144
 1304   2HG   ARG   1          1HG       ARG   1 -12.056   4.779   2.542
 1305   1HD   ARG   1          2HD       ARG   1 -10.299   6.548   1.809
 1306   2HD   ARG   1          1HD       ARG   1 -11.609   7.699   2.070
 1307    HE   ARG   1           HE       ARG   1 -11.534   6.184   4.350
 1308   1HH1  ARG   1          1HH1      ARG   1  -9.248   8.171   2.616
 1309   2HH1  ARG   1          2HH1      ARG   1  -8.367   8.617   4.039
 1310   1HH2  ARG   1          1HH2      ARG   1 -10.375   6.769   6.222
 1311   2HH2  ARG   1          2HH2      ARG   1  -9.006   7.820   6.086
 1312    H    VAL   2           H        VAL   2 -12.617   1.409   0.888
 1313    HA   VAL   2           HA       VAL   2 -10.034   1.328   2.266
 1314    HB   VAL   2           HB       VAL   2 -12.180  -0.794   2.268
 1315   1HG1  VAL   2          2HG1      VAL   2  -9.789  -0.285   4.031
 1316   2HG1  VAL   2          1HG1      VAL   2 -11.043  -1.479   4.369
 1317   3HG1  VAL   2          3HG1      VAL   2 -10.034  -1.643   2.932
 1318   1HG2  VAL   2          3HG2      VAL   2 -11.855   1.670   3.925
 1319   2HG2  VAL   2          2HG2      VAL   2 -13.318   0.960   3.243
 1320   3HG2  VAL   2          1HG2      VAL   2 -12.546   0.215   4.643
 1321    H    CYS   3           H        CYS   3  -8.391  -0.030   1.691
 1322    HA   CYS   3           HA       CYS   3  -8.646  -1.297  -0.936
 1323   1HB   CYS   3          2HB       CYS   3  -6.259  -1.190  -1.097
 1324   2HB   CYS   3          1HB       CYS   3  -6.819   0.376  -0.522
 1325    HA   PRO   4           HA       PRO   4  -9.034  -5.382   0.792
 1326   1HB   PRO   4          2HB       PRO   4  -7.309  -6.019  -1.569
 1327   2HB   PRO   4          1HB       PRO   4  -8.778  -6.820  -1.004
 1328   1HG   PRO   4          2HG       PRO   4  -8.865  -5.166  -3.081
 1329   2HG   PRO   4          1HG       PRO   4 -10.169  -5.178  -1.880
 1330   1HD   PRO   4          2HD       PRO   4  -7.998  -3.187  -2.299
 1331   2HD   PRO   4          1HD       PRO   4  -9.653  -2.947  -1.706
 1332    H    ARG   5           H        ARG   5  -7.721  -7.000   1.766
 1333    HA   ARG   5           HA       ARG   5  -5.181  -5.993   2.695
 1334   1HB   ARG   5          2HB       ARG   5  -7.072  -7.425   3.932
 1335   2HB   ARG   5          1HB       ARG   5  -6.070  -8.753   3.361
 1336   1HG   ARG   5          2HG       ARG   5  -5.006  -8.437   5.311
 1337   2HG   ARG   5          1HG       ARG   5  -4.180  -7.156   4.423
 1338   1HD   ARG   5          2HD       ARG   5  -6.460  -5.905   5.287
 1339   2HD   ARG   5          1HD       ARG   5  -6.090  -6.987   6.629
 1340    HE   ARG   5           HE       ARG   5  -4.714  -4.611   5.949
 1341   1HH1  ARG   5          1HH1      ARG   5  -4.164  -7.849   7.129
 1342   2HH1  ARG   5          2HH1      ARG   5  -2.718  -7.426   7.983
 1343   1HH2  ARG   5          1HH2      ARG   5  -2.812  -4.053   7.071
 1344   2HH2  ARG   5          2HH2      ARG   5  -1.951  -5.272   7.951
 1345    H    ILE   6           H        ILE   6  -4.097  -6.030   0.627
 1346    HA   ILE   6           HA       ILE   6  -3.008  -8.695   0.021
 1347    HB   ILE   6           HB       ILE   6  -3.562  -6.610  -2.087
 1348   1HG1  ILE   6          2HG1      ILE   6  -5.675  -7.451  -1.128
 1349   2HG1  ILE   6          1HG1      ILE   6  -5.451  -7.985  -2.791
 1350   1HG2  ILE   6          3HG2      ILE   6  -1.793  -8.636  -2.171
 1351   2HG2  ILE   6          2HG2      ILE   6  -3.237  -9.458  -2.762
 1352   3HG2  ILE   6          1HG2      ILE   6  -2.643  -8.018  -3.588
 1353   1HD1  ILE   6          3HD1      ILE   6  -4.611  -9.745  -0.535
 1354   2HD1  ILE   6          2HD1      ILE   6  -6.306  -9.650  -1.010
 1355   3HD1  ILE   6          1HD1      ILE   6  -5.092 -10.175  -2.177
 1356    H    LEU   7           H        LEU   7  -0.846  -8.793  -0.101
 1357    HA   LEU   7           HA       LEU   7   0.769  -6.689   0.780
 1358   1HB   LEU   7          2HB       LEU   7   1.564  -9.124  -0.819
 1359   2HB   LEU   7          1HB       LEU   7   2.665  -8.089   0.069
 1360    HG   LEU   7           HG       LEU   7   0.532  -9.881   1.224
 1361   1HD1  LEU   7          2HD1      LEU   7   3.473 -10.022   0.919
 1362   2HD1  LEU   7          1HD1      LEU   7   2.790 -10.602   2.438
 1363   3HD1  LEU   7          3HD1      LEU   7   2.265 -11.307   0.910
 1364   1HD2  LEU   7          3HD2      LEU   7   1.829  -7.512   2.323
 1365   2HD2  LEU   7          2HD2      LEU   7   0.416  -8.400   2.893
 1366   3HD2  LEU   7          1HD2      LEU   7   2.036  -8.949   3.325
 1367    H    LEU   8           H        LEU   8   2.024  -5.178  -0.236
 1368    HA   LEU   8           HA       LEU   8   2.421  -5.192  -3.079
 1369   1HB   LEU   8          2HB       LEU   8   0.031  -4.137  -2.299
 1370   2HB   LEU   8          1HB       LEU   8   1.051  -2.711  -2.286
 1371    HG   LEU   8           HG       LEU   8   1.544  -4.129  -4.713
 1372   1HD1  LEU   8          3HD1      LEU   8  -0.795  -5.021  -4.103
 1373   2HD1  LEU   8          2HD1      LEU   8  -1.349  -3.393  -4.494
 1374   3HD1  LEU   8          1HD1      LEU   8  -0.533  -4.365  -5.719
 1375   1HD2  LEU   8          2HD2      LEU   8   0.521  -1.468  -3.865
 1376   2HD2  LEU   8          1HD2      LEU   8   1.942  -1.881  -4.824
 1377   3HD2  LEU   8          3HD2      LEU   8   0.338  -1.945  -5.553
 1378    H    GLU   9           H        GLU   9   4.477  -4.611  -3.180
 1379    HA   GLU   9           HA       GLU   9   5.520  -2.645  -1.274
 1380   1HB   GLU   9          2HB       GLU   9   7.738  -3.449  -1.950
 1381   2HB   GLU   9          1HB       GLU   9   6.716  -4.771  -1.404
 1382   1HG   GLU   9          2HG       GLU   9   7.316  -5.818  -3.266
 1383   2HG   GLU   9          1HG       GLU   9   6.245  -4.701  -4.112
 1384    H    CYS  10           H        CYS  10   6.076  -0.644  -1.872
 1385    HA   CYS  10           HA       CYS  10   6.847  -0.050  -4.594
 1386   1HB   CYS  10          2HB       CYS  10   4.872   1.912  -4.021
 1387   2HB   CYS  10          1HB       CYS  10   4.884   0.731  -5.324
 1388    H    LYS  11           H        LYS  11   7.419   2.297  -4.841
 1389    HA   LYS  11           HA       LYS  11   8.862   3.151  -2.468
 1390   1HB   LYS  11          2HB       LYS  11   8.962   3.819  -5.377
 1391   2HB   LYS  11          1HB       LYS  11   9.591   4.991  -4.227
 1392   1HG   LYS  11          2HG       LYS  11  10.791   2.741  -3.340
 1393   2HG   LYS  11          1HG       LYS  11  10.673   2.392  -5.065
 1394   1HD   LYS  11          2HD       LYS  11  11.604   5.100  -4.358
 1395   2HD   LYS  11          1HD       LYS  11  12.699   3.778  -3.949
 1396   1HE   LYS  11          2HE       LYS  11  13.234   4.585  -6.151
 1397   2HE   LYS  11          1HE       LYS  11  12.528   2.974  -6.285
 1398   1HZ   LYS  11          2HZ       LYS  11  10.664   5.194  -6.462
 1399   2HZ   LYS  11          1HZ       LYS  11  11.747   5.044  -7.753
 1400   3HZ   LYS  11          3HZ       LYS  11  10.725   3.757  -7.352
 1401    H    LYS  12           H        LYS  12   6.936   4.909  -4.904
 1402    HA   LYS  12           HA       LYS  12   6.319   6.997  -3.022
 1403   1HB   LYS  12          2HB       LYS  12   6.653   7.502  -5.402
 1404   2HB   LYS  12          1HB       LYS  12   5.275   6.494  -5.817
 1405   1HG   LYS  12          2HG       LYS  12   3.744   8.014  -5.002
 1406   2HG   LYS  12          1HG       LYS  12   4.920   8.784  -3.936
 1407   1HD   LYS  12          2HD       LYS  12   4.422  10.261  -5.779
 1408   2HD   LYS  12          1HD       LYS  12   6.081   9.679  -5.930
 1409   1HE   LYS  12          2HE       LYS  12   4.983   7.828  -7.411
 1410   2HE   LYS  12          1HE       LYS  12   3.669   8.994  -7.554
 1411   1HZ   LYS  12          1HZ       LYS  12   6.349  10.024  -8.010
 1412   2HZ   LYS  12          3HZ       LYS  12   5.764   8.951  -9.179
 1413   3HZ   LYS  12          2HZ       LYS  12   4.906  10.364  -8.823
 1414    H    ASP  13           H        ASP  13   4.600   7.118  -1.720
 1415    HA   ASP  13           HA       ASP  13   2.913   4.999  -1.239
 1416   1HB   ASP  13          2HB       ASP  13   2.227   7.884  -0.695
 1417   2HB   ASP  13          1HB       ASP  13   1.593   6.475   0.138
 1418    H    SER  14           H        SER  14   2.499   7.654  -3.463
 1419    HA   SER  14           HA       SER  14  -0.199   7.433  -4.055
 1420   1HB   SER  14          1HB       SER  14   0.250   8.650  -6.024
 1421   2HB   SER  14          2HB       SER  14   1.868   7.965  -6.181
 1422    H    ASP  15           H        ASP  15   2.499   5.459  -5.107
 1423    HA   ASP  15           HA       ASP  15   1.423   4.130  -7.267
 1424   1HB   ASP  15          2HB       ASP  15   3.731   3.921  -5.836
 1425   2HB   ASP  15          1HB       ASP  15   2.934   2.409  -5.413
 1426    H    CYS  16           H        CYS  16   0.783   3.614  -3.851
 1427    HA   CYS  16           HA       CYS  16  -0.351   1.127  -3.829
 1428   1HB   CYS  16          2HB       CYS  16  -0.092   2.953  -1.949
 1429   2HB   CYS  16          1HB       CYS  16  -1.763   3.284  -2.318
 1430    H    LEU  17           H        LEU  17  -2.762   0.698  -3.466
 1431    HA   LEU  17           HA       LEU  17  -4.198   1.779  -5.795
 1432   1HB   LEU  17          2HB       LEU  17  -5.477  -0.289  -5.807
 1433   2HB   LEU  17          1HB       LEU  17  -3.757  -0.616  -5.897
 1434    HG   LEU  17           HG       LEU  17  -4.932  -0.650  -3.183
 1435   1HD1  LEU  17          3HD1      LEU  17  -5.687  -2.608  -5.325
 1436   2HD1  LEU  17          2HD1      LEU  17  -5.635  -3.070  -3.623
 1437   3HD1  LEU  17          1HD1      LEU  17  -6.724  -1.790  -4.157
 1438   1HD2  LEU  17          3HD2      LEU  17  -2.527  -1.214  -4.012
 1439   2HD2  LEU  17          2HD2      LEU  17  -3.284  -2.206  -2.765
 1440   3HD2  LEU  17          1HD2      LEU  17  -3.243  -2.769  -4.436
 1441    H    ALA  18           H        ALA  18  -6.644   1.667  -5.561
 1442    HA   ALA  18           HA       ALA  18  -8.463   2.684  -4.635
 1443   1HB   ALA  18           3HB      ALA  18  -8.518   0.462  -3.591
 1444   2HB   ALA  18          2HB       ALA  18  -7.579   1.084  -2.234
 1445   3HB   ALA  18          1HB       ALA  18  -9.202   1.702  -2.539
 1446    H    GLU  19           H        GLU  19  -8.036   2.891  -1.393
 1447    HA   GLU  19           HA       GLU  19  -6.832   5.569  -1.576
 1448   1HB   GLU  19          2HB       GLU  19  -9.399   4.711  -0.509
 1449   2HB   GLU  19          1HB       GLU  19  -8.452   5.577   0.693
 1450   1HG   GLU  19          2HG       GLU  19  -8.893   6.657  -2.069
 1451   2HG   GLU  19          1HG       GLU  19 -10.029   6.938  -0.751
 1452    H    CYS  20           H        CYS  20  -5.055   3.679  -1.187
 1453    HA   CYS  20           HA       CYS  20  -4.492   3.787   1.698
 1454   1HB   CYS  20          2HB       CYS  20  -4.254   1.478  -0.206
 1455   2HB   CYS  20          1HB       CYS  20  -3.191   1.579   1.193
 1456    H    VAL  21           H        VAL  21  -1.955   2.966   1.822
 1457    HA   VAL  21           HA       VAL  21  -0.526   4.635  -0.133
 1458    HB   VAL  21           HB       VAL  21   0.959   5.465   1.581
 1459   1HG1  VAL  21          1HG1      VAL  21  -1.450   6.410   1.140
 1460   2HG1  VAL  21          3HG1      VAL  21  -1.721   5.904   2.807
 1461   3HG1  VAL  21          2HG1      VAL  21  -0.445   7.064   2.433
 1462   1HG2  VAL  21          2HG2      VAL  21   0.919   3.487   3.047
 1463   2HG2  VAL  21          1HG2      VAL  21   0.638   4.981   3.941
 1464   3HG2  VAL  21          3HG2      VAL  21  -0.714   3.914   3.560
 1465    H    CYS  22           H        CYS  22   1.722   4.174  -0.350
 1466    HA   CYS  22           HA       CYS  22   2.297   1.310  -0.152
 1467   1HB   CYS  22          2HB       CYS  22   3.246   3.513  -1.952
 1468   2HB   CYS  22          1HB       CYS  22   4.261   2.103  -1.734
 1469    H    LEU  23           H        LEU  23   3.964   0.535   1.046
 1470    HA   LEU  23           HA       LEU  23   5.384   2.478   2.714
 1471   1HB   LEU  23          2HB       LEU  23   5.185  -0.513   3.042
 1472   2HB   LEU  23          1HB       LEU  23   5.850   0.623   4.200
 1473    HG   LEU  23           HG       LEU  23   3.013   0.972   3.354
 1474   1HD1  LEU  23          1HD1      LEU  23   4.045  -1.425   4.589
 1475   2HD1  LEU  23          3HD1      LEU  23   2.906  -0.593   5.648
 1476   3HD1  LEU  23          2HD1      LEU  23   2.418  -1.061   4.019
 1477   1HD2  LEU  23          2HD2      LEU  23   4.758   1.675   5.650
 1478   2HD2  LEU  23          1HD2      LEU  23   3.548   2.643   4.804
 1479   3HD2  LEU  23          3HD2      LEU  23   3.042   1.415   5.965
 1480    H    GLU  24           H        GLU  24   7.584   2.545   2.907
 1481    HA   GLU  24           HA       GLU  24   9.140   2.036   0.665
 1482   1HB   GLU  24          2HB       GLU  24  11.085   2.482   2.141
 1483   2HB   GLU  24          1HB       GLU  24   9.808   3.681   2.297
 1484   1HG   GLU  24          2HG       GLU  24   9.013   2.298   4.297
 1485   2HG   GLU  24          1HG       GLU  24  10.592   1.520   4.213
 1486    H    HIS  25           H        HIS  25   8.955   0.172   3.700
 1487    HA   HIS  25           HA       HIS  25  10.875  -1.739   3.093
 1488   1HB   HIS  25          2HB       HIS  25   9.207  -3.269   4.521
 1489   2HB   HIS  25          1HB       HIS  25  10.227  -2.041   5.256
 1490    HD1  HIS  25          1HD       HIS  25   9.051   0.135   6.076
 1491    HD2  HIS  25          2HD       HIS  25   6.473  -2.794   4.648
 1492    HE1  HIS  25          1HE       HIS  25   6.762   0.812   6.866
 1493    HE2  HIS  25          2HE       HIS  25   5.242  -1.045   6.103
 1494    H    GLY  26           H        GLY  26   7.693  -1.325   1.828
 1495   1HA   GLY  26          1HA       GLY  26   8.096  -3.753   0.206
 1496   2HA   GLY  26          2HA       GLY  26   7.280  -2.303  -0.352
 1497    H    TYR  27           H        TYR  27   5.312  -1.701   1.085
 1498    HA   TYR  27           HA       TYR  27   3.484  -3.874   0.907
 1499   1HB   TYR  27          2HB       TYR  27   4.495  -3.066   3.608
 1500   2HB   TYR  27          1HB       TYR  27   2.843  -3.635   3.427
 1501    HD1  TYR  27          1HD       TYR  27   3.151  -5.778   1.437
 1502    HD2  TYR  27          2HD       TYR  27   5.615  -4.749   4.750
 1503    HE1  TYR  27          1HE       TYR  27   3.947  -8.103   1.562
 1504    HE2  TYR  27          2HE       TYR  27   6.417  -7.069   4.882
 1505    HH   TYR  27           HH       TYR  27   4.947  -9.626   3.131
 1506    H    CYS  28           H        CYS  28   1.371  -3.186   0.882
 1507    HA   CYS  28           HA       CYS  28   0.992  -0.280   0.966
 1508   1HB   CYS  28          2HB       CYS  28  -0.080  -2.440  -0.658
 1509   2HB   CYS  28          1HB       CYS  28  -1.364  -1.441   0.012
 1510    H    GLY  29           H        GLY  29   0.097   0.591   2.710
 1511   1HA   GLY  29          1HA       GLY  29  -0.710   0.364   4.954
 1512   2HA   GLY  29          2HA       GLY  29  -1.512  -1.125   4.477
 1513    H1   ARG   1          2HT       ARG   1 -12.497   2.701  -0.248
 1514    H2   ARG   1          1HT       ARG   1 -13.673   2.563   0.994
 1515    H3   ARG   1          3HT       ARG   1 -13.526   4.026   0.112
 1516    HA   ARG   1           HA       ARG   1 -11.527   4.560   1.069
 1517   1HB   ARG   1          2HB       ARG   1 -13.787   4.408   2.485
 1518   2HB   ARG   1          1HB       ARG   1 -12.819   3.287   3.431
 1519   1HG   ARG   1          2HG       ARG   1 -11.179   5.508   3.020
 1520   2HG   ARG   1          1HG       ARG   1 -12.776   6.162   3.386
 1521   1HD   ARG   1          2HD       ARG   1 -12.314   5.815   5.536
 1522   2HD   ARG   1          1HD       ARG   1 -12.440   4.088   5.204
 1523    HE   ARG   1           HE       ARG   1  -9.872   4.746   4.527
 1524   1HH1  ARG   1          1HH1      ARG   1 -11.822   5.027   7.408
 1525   2HH1  ARG   1          2HH1      ARG   1 -10.473   4.885   8.485
 1526   1HH2  ARG   1          1HH2      ARG   1  -8.098   4.560   5.941
 1527   2HH2  ARG   1          2HH2      ARG   1  -8.359   4.621   7.653
 1528    H    VAL   2           H        VAL   2 -12.405   1.494   2.673
 1529    HA   VAL   2           HA       VAL   2  -9.750   0.871   3.402
 1530    HB   VAL   2           HB       VAL   2 -10.665  -1.452   3.788
 1531   1HG1  VAL   2          3HG1      VAL   2 -10.811   0.734   5.315
 1532   2HG1  VAL   2          2HG1      VAL   2 -12.535   0.399   5.142
 1533   3HG1  VAL   2          1HG1      VAL   2 -11.461  -0.826   5.817
 1534   1HG2  VAL   2          1HG2      VAL   2 -12.558  -0.796   1.985
 1535   2HG2  VAL   2          3HG2      VAL   2 -12.759  -2.059   3.200
 1536   3HG2  VAL   2          2HG2      VAL   2 -13.420  -0.448   3.483
 1537    H    CYS   3           H        CYS   3  -8.194  -0.346   2.443
 1538    HA   CYS   3           HA       CYS   3  -8.661  -1.075  -0.354
 1539   1HB   CYS   3          2HB       CYS   3  -6.264  -1.024  -0.635
 1540   2HB   CYS   3          1HB       CYS   3  -6.767   0.450   0.184
 1541    HA   PRO   4           HA       PRO   4  -9.128  -5.414   0.492
 1542   1HB   PRO   4          2HB       PRO   4  -7.348  -5.534  -1.918
 1543   2HB   PRO   4          1HB       PRO   4  -8.799  -6.476  -1.548
 1544   1HG   PRO   4          2HG       PRO   4  -8.912  -4.412  -3.227
 1545   2HG   PRO   4          1HG       PRO   4 -10.229  -4.730  -2.084
 1546   1HD   PRO   4          2HD       PRO   4  -8.181  -2.589  -2.054
 1547   2HD   PRO   4          1HD       PRO   4  -9.814  -2.601  -1.360
 1548    H    ARG   5           H        ARG   5  -7.950  -7.074   1.402
 1549    HA   ARG   5           HA       ARG   5  -5.399  -6.391   2.494
 1550   1HB   ARG   5          2HB       ARG   5  -7.185  -8.798   2.639
 1551   2HB   ARG   5          1HB       ARG   5  -5.539  -8.883   3.253
 1552   1HG   ARG   5          2HG       ARG   5  -7.689  -6.982   4.165
 1553   2HG   ARG   5          1HG       ARG   5  -7.083  -8.389   5.042
 1554   1HD   ARG   5          2HD       ARG   5  -5.668  -6.969   6.027
 1555   2HD   ARG   5          1HD       ARG   5  -4.791  -6.974   4.497
 1556    HE   ARG   5           HE       ARG   5  -5.445  -4.815   4.181
 1557   1HH1  ARG   5          1HH1      ARG   5  -7.601  -6.283   6.501
 1558   2HH1  ARG   5          2HH1      ARG   5  -8.445  -4.809   6.836
 1559   1HH2  ARG   5          1HH2      ARG   5  -6.556  -2.876   4.620
 1560   2HH2  ARG   5          2HH2      ARG   5  -7.853  -2.875   5.768
 1561    H    ILE   6           H        ILE   6  -4.234  -6.068   0.493
 1562    HA   ILE   6           HA       ILE   6  -3.112  -8.589  -0.504
 1563    HB   ILE   6           HB       ILE   6  -3.764  -6.274  -2.324
 1564   1HG1  ILE   6          2HG1      ILE   6  -5.207  -8.924  -2.155
 1565   2HG1  ILE   6          1HG1      ILE   6  -5.792  -7.451  -1.387
 1566   1HG2  ILE   6          1HG2      ILE   6  -1.857  -7.711  -2.966
 1567   2HG2  ILE   6          3HG2      ILE   6  -2.942  -9.103  -2.962
 1568   3HG2  ILE   6          2HG2      ILE   6  -3.197  -7.790  -4.110
 1569   1HD1  ILE   6          3HD1      ILE   6  -5.929  -6.373  -3.576
 1570   2HD1  ILE   6          2HD1      ILE   6  -5.362  -7.861  -4.337
 1571   3HD1  ILE   6          1HD1      ILE   6  -6.913  -7.834  -3.496
 1572    H    LEU   7           H        LEU   7  -1.092  -8.486   0.255
 1573    HA   LEU   7           HA       LEU   7   0.372  -6.219   0.884
 1574   1HB   LEU   7          2HB       LEU   7   1.399  -8.910  -0.023
 1575   2HB   LEU   7          1HB       LEU   7   2.363  -7.681   0.772
 1576    HG   LEU   7           HG       LEU   7  -0.041  -9.009   2.022
 1577   1HD1  LEU   7          1HD1      LEU   7   2.762  -9.848   1.805
 1578   2HD1  LEU   7          3HD1      LEU   7   2.104  -9.868   3.441
 1579   3HD1  LEU   7          2HD1      LEU   7   1.315 -10.790   2.162
 1580   1HD2  LEU   7          1HD2      LEU   7   1.150  -6.637   2.680
 1581   2HD2  LEU   7          3HD2      LEU   7   0.247  -7.667   3.791
 1582   3HD2  LEU   7          2HD2      LEU   7   2.005  -7.782   3.713
 1583    H    LEU   8           H        LEU   8   1.789  -4.904  -0.190
 1584    HA   LEU   8           HA       LEU   8   2.622  -5.470  -2.887
 1585   1HB   LEU   8          2HB       LEU   8   0.200  -4.437  -2.865
 1586   2HB   LEU   8          1HB       LEU   8   1.068  -2.937  -2.605
 1587    HG   LEU   8           HG       LEU   8   1.963  -4.651  -4.861
 1588   1HD1  LEU   8          3HD1      LEU   8  -0.727  -3.455  -4.632
 1589   2HD1  LEU   8          2HD1      LEU   8   0.136  -3.176  -6.146
 1590   3HD1  LEU   8          1HD1      LEU   8  -0.167  -4.824  -5.593
 1591   1HD2  LEU   8          1HD2      LEU   8   3.110  -2.564  -4.312
 1592   2HD2  LEU   8          3HD2      LEU   8   2.343  -2.477  -5.898
 1593   3HD2  LEU   8          2HD2      LEU   8   1.598  -1.678  -4.514
 1594    H    GLU   9           H        GLU   9   4.600  -4.681  -3.129
 1595    HA   GLU   9           HA       GLU   9   5.526  -2.630  -1.254
 1596   1HB   GLU   9          2HB       GLU   9   7.806  -3.346  -2.029
 1597   2HB   GLU   9          1HB       GLU   9   6.877  -4.598  -1.218
 1598   1HG   GLU   9          2HG       GLU   9   6.578  -4.513  -4.137
 1599   2HG   GLU   9          1HG       GLU   9   8.188  -4.931  -3.552
 1600    H    CYS  10           H        CYS  10   6.107  -0.646  -1.878
 1601    HA   CYS  10           HA       CYS  10   6.804  -0.082  -4.632
 1602   1HB   CYS  10          2HB       CYS  10   4.864   1.899  -3.967
 1603   2HB   CYS  10          1HB       CYS  10   4.836   0.745  -5.293
 1604    H    LYS  11           H        LYS  11   7.513   2.177  -4.925
 1605    HA   LYS  11           HA       LYS  11   9.016   3.041  -2.608
 1606   1HB   LYS  11          2HB       LYS  11   9.488   3.075  -5.334
 1607   2HB   LYS  11          1HB       LYS  11   9.157   4.762  -4.966
 1608   1HG   LYS  11          2HG       LYS  11  11.183   5.019  -4.119
 1609   2HG   LYS  11          1HG       LYS  11  10.920   3.693  -2.986
 1610   1HD   LYS  11          2HD       LYS  11  11.350   2.310  -5.268
 1611   2HD   LYS  11          1HD       LYS  11  12.351   3.734  -5.564
 1612   1HE   LYS  11          2HE       LYS  11  13.711   3.314  -3.726
 1613   2HE   LYS  11          1HE       LYS  11  12.510   2.282  -2.951
 1614   1HZ   LYS  11          2HZ       LYS  11  12.889   0.662  -4.770
 1615   2HZ   LYS  11          1HZ       LYS  11  14.163   1.625  -5.326
 1616   3HZ   LYS  11          3HZ       LYS  11  14.246   0.913  -3.793
 1617    H    LYS  12           H        LYS  12   6.867   4.692  -4.930
 1618    HA   LYS  12           HA       LYS  12   6.400   6.828  -3.022
 1619   1HB   LYS  12          2HB       LYS  12   6.715   7.372  -5.394
 1620   2HB   LYS  12          1HB       LYS  12   5.312   6.398  -5.812
 1621   1HG   LYS  12          2HG       LYS  12   4.017   8.168  -5.547
 1622   2HG   LYS  12          1HG       LYS  12   4.482   8.248  -3.847
 1623   1HD   LYS  12          2HD       LYS  12   6.224   9.409  -5.998
 1624   2HD   LYS  12          1HD       LYS  12   4.874  10.322  -5.321
 1625   1HE   LYS  12          2HE       LYS  12   5.934  10.689  -3.372
 1626   2HE   LYS  12          1HE       LYS  12   6.630   9.069  -3.331
 1627   1HZ   LYS  12          3HZ       LYS  12   8.032  10.108  -5.310
 1628   2HZ   LYS  12          2HZ       LYS  12   7.717  11.529  -4.451
 1629   3HZ   LYS  12          1HZ       LYS  12   8.509  10.242  -3.692
 1630    H    ASP  13           H        ASP  13   4.599   7.093  -1.813
 1631    HA   ASP  13           HA       ASP  13   2.914   4.962  -1.271
 1632   1HB   ASP  13          2HB       ASP  13   2.241   7.865  -0.801
 1633   2HB   ASP  13          1HB       ASP  13   1.591   6.478   0.057
 1634    H    SER  14           H        SER  14   2.550   7.570  -3.559
 1635    HA   SER  14           HA       SER  14  -0.144   7.341  -4.178
 1636   1HB   SER  14          2HB       SER  14   2.075   8.712  -5.220
 1637   2HB   SER  14          1HB       SER  14   1.416   7.794  -6.573
 1638    H    ASP  15           H        ASP  15   2.574   5.354  -5.157
 1639    HA   ASP  15           HA       ASP  15   1.555   3.981  -7.308
 1640   1HB   ASP  15          2HB       ASP  15   3.807   3.775  -5.797
 1641   2HB   ASP  15          1HB       ASP  15   2.975   2.287  -5.356
 1642    H    CYS  16           H        CYS  16   0.793   3.541  -3.903
 1643    HA   CYS  16           HA       CYS  16  -0.411   1.068  -3.931
 1644   1HB   CYS  16          2HB       CYS  16  -0.103   2.874  -2.016
 1645   2HB   CYS  16          1HB       CYS  16  -1.767   3.230  -2.384
 1646    H    LEU  17           H        LEU  17  -2.877   0.788  -3.554
 1647    HA   LEU  17           HA       LEU  17  -4.271   2.092  -5.801
 1648   1HB   LEU  17          2HB       LEU  17  -5.532   0.019  -6.105
 1649   2HB   LEU  17          1HB       LEU  17  -3.807  -0.234  -6.301
 1650    HG   LEU  17           HG       LEU  17  -4.037  -0.881  -3.705
 1651   1HD1  LEU  17          2HD1      LEU  17  -6.641  -0.484  -4.250
 1652   2HD1  LEU  17          1HD1      LEU  17  -6.497  -2.196  -4.647
 1653   3HD1  LEU  17          3HD1      LEU  17  -6.055  -1.624  -3.039
 1654   1HD2  LEU  17          1HD2      LEU  17  -3.383  -2.174  -5.965
 1655   2HD2  LEU  17          3HD2      LEU  17  -3.517  -2.968  -4.396
 1656   3HD2  LEU  17          2HD2      LEU  17  -4.858  -3.042  -5.539
 1657    H    ALA  18           H        ALA  18  -6.715   1.916  -5.588
 1658    HA   ALA  18           HA       ALA  18  -8.573   2.663  -4.508
 1659   1HB   ALA  18          1HB       ALA  18  -8.434   0.351  -3.654
 1660   2HB   ALA  18          2HB       ALA  18  -9.194   1.455  -2.507
 1661   3HB   ALA  18           3HB      ALA  18  -7.525   0.942  -2.263
 1662    H    GLU  19           H        GLU  19  -8.024   2.620  -1.274
 1663    HA   GLU  19           HA       GLU  19  -6.969   5.367  -1.273
 1664   1HB   GLU  19          2HB       GLU  19  -9.517   4.653  -0.582
 1665   2HB   GLU  19          1HB       GLU  19  -8.707   4.614   0.978
 1666   1HG   GLU  19          2HG       GLU  19  -8.010   6.983  -0.525
 1667   2HG   GLU  19          1HG       GLU  19  -9.753   6.833  -0.305
 1668    H    CYS  20           H        CYS  20  -5.074   3.550  -1.090
 1669    HA   CYS  20           HA       CYS  20  -4.390   3.541   1.765
 1670   1HB   CYS  20          2HB       CYS  20  -4.561   1.250  -0.078
 1671   2HB   CYS  20          1HB       CYS  20  -3.059   1.337   0.837
 1672    H    VAL  21           H        VAL  21  -1.924   3.052   1.970
 1673    HA   VAL  21           HA       VAL  21  -0.556   4.580  -0.143
 1674    HB   VAL  21           HB       VAL  21   0.947   5.507   1.520
 1675   1HG1  VAL  21          2HG1      VAL  21  -1.254   6.596   0.991
 1676   2HG1  VAL  21          1HG1      VAL  21  -1.880   5.894   2.483
 1677   3HG1  VAL  21          3HG1      VAL  21  -0.546   7.047   2.542
 1678   1HG2  VAL  21          3HG2      VAL  21   0.826   3.544   3.077
 1679   2HG2  VAL  21          2HG2      VAL  21   0.731   5.117   3.868
 1680   3HG2  VAL  21          1HG2      VAL  21  -0.730   4.159   3.634
 1681    H    CYS  22           H        CYS  22   1.708   4.176  -0.364
 1682    HA   CYS  22           HA       CYS  22   2.353   1.336  -0.060
 1683   1HB   CYS  22          2HB       CYS  22   3.274   3.495  -1.934
 1684   2HB   CYS  22          1HB       CYS  22   4.274   2.078  -1.692
 1685    H    LEU  23           H        LEU  23   3.999   0.648   1.196
 1686    HA   LEU  23           HA       LEU  23   5.429   2.684   2.738
 1687   1HB   LEU  23          2HB       LEU  23   5.408  -0.268   3.298
 1688   2HB   LEU  23          1HB       LEU  23   5.774   1.045   4.399
 1689    HG   LEU  23           HG       LEU  23   3.036   0.913   3.231
 1690   1HD1  LEU  23          2HD1      LEU  23   4.208  -1.238   4.708
 1691   2HD1  LEU  23          1HD1      LEU  23   2.959  -0.464   5.683
 1692   3HD1  LEU  23          3HD1      LEU  23   2.569  -1.082   4.077
 1693   1HD2  LEU  23          3HD2      LEU  23   3.958   2.758   4.729
 1694   2HD2  LEU  23          2HD2      LEU  23   2.414   2.040   5.189
 1695   3HD2  LEU  23          1HD2      LEU  23   3.890   1.572   6.031
 1696    H    GLU  24           H        GLU  24   7.637   2.737   2.938
 1697    HA   GLU  24           HA       GLU  24   9.188   2.137   0.723
 1698   1HB   GLU  24          2HB       GLU  24  11.148   2.504   2.273
 1699   2HB   GLU  24          1HB       GLU  24   9.958   3.799   2.231
 1700   1HG   GLU  24          2HG       GLU  24   9.025   2.261   4.274
 1701   2HG   GLU  24          1HG       GLU  24  10.768   2.055   4.431
 1702    H    HIS  25           H        HIS  25   8.919   0.326   3.776
 1703    HA   HIS  25           HA       HIS  25  10.825  -1.621   3.258
 1704   1HB   HIS  25          2HB       HIS  25   9.008  -3.101   4.615
 1705   2HB   HIS  25          1HB       HIS  25  10.120  -1.975   5.380
 1706    HD1  HIS  25          1HD       HIS  25   9.108   0.344   6.122
 1707    HD2  HIS  25          2HD       HIS  25   6.335  -2.470   4.835
 1708    HE1  HIS  25          1HE       HIS  25   6.879   1.175   6.936
 1709    HE2  HIS  25          2HE       HIS  25   5.242  -0.618   6.272
 1710    H    GLY  26           H        GLY  26   7.670  -1.199   1.908
 1711   1HA   GLY  26          1HA       GLY  26   8.122  -3.623   0.290
 1712   2HA   GLY  26          2HA       GLY  26   7.313  -2.175  -0.283
 1713    H    TYR  27           H        TYR  27   5.307  -1.586   1.109
 1714    HA   TYR  27           HA       TYR  27   3.514  -3.795   0.906
 1715   1HB   TYR  27          2HB       TYR  27   4.402  -2.885   3.619
 1716   2HB   TYR  27          1HB       TYR  27   2.782  -3.526   3.385
 1717    HD1  TYR  27          1HD       TYR  27   2.812  -5.822   1.934
 1718    HD2  TYR  27          2HD       TYR  27   5.984  -4.374   4.373
 1719    HE1  TYR  27          1HE       TYR  27   3.691  -8.110   2.144
 1720    HE2  TYR  27          2HE       TYR  27   6.870  -6.657   4.586
 1721    HH   TYR  27           HH       TYR  27   6.150  -8.939   4.389
 1722    H    CYS  28           H        CYS  28   1.375  -3.164   0.862
 1723    HA   CYS  28           HA       CYS  28   0.934  -0.267   0.793
 1724   1HB   CYS  28          2HB       CYS  28  -0.058  -2.518  -0.741
 1725   2HB   CYS  28          1HB       CYS  28  -1.389  -1.560  -0.104
 1726    H    GLY  29           H        GLY  29   0.204   0.580   2.634
 1727   1HA   GLY  29          1HA       GLY  29  -0.587  -0.145   4.940
 1728   2HA   GLY  29          2HA       GLY  29  -1.928  -0.872   4.068
 1729    H1   ARG   1          2HT       ARG   1  -7.160  -0.327   5.772
 1730    H2   ARG   1          1HT       ARG   1  -5.982   0.616   4.957
 1731    H3   ARG   1          3HT       ARG   1  -6.388   0.973   6.583
 1732    HA   ARG   1           HA       ARG   1  -8.436   1.789   6.041
 1733   1HB   ARG   1          2HB       ARG   1  -6.110   2.832   4.990
 1734   2HB   ARG   1          1HB       ARG   1  -7.182   2.814   3.597
 1735   1HG   ARG   1          2HG       ARG   1  -7.360   4.939   4.668
 1736   2HG   ARG   1          1HG       ARG   1  -8.861   4.051   4.944
 1737   1HD   ARG   1          2HD       ARG   1  -6.766   3.701   6.987
 1738   2HD   ARG   1          1HD       ARG   1  -7.472   5.314   6.884
 1739    HE   ARG   1           HE       ARG   1  -9.455   3.258   6.935
 1740   1HH1  ARG   1          1HH1      ARG   1  -7.326   5.163   8.937
 1741   2HH1  ARG   1          2HH1      ARG   1  -8.317   5.016  10.349
 1742   1HH2  ARG   1          1HH2      ARG   1 -10.761   3.063   8.792
 1743   2HH2  ARG   1          2HH2      ARG   1 -10.267   3.823  10.267
 1744    H    VAL   2           H        VAL   2  -9.429   2.671   3.621
 1745    HA   VAL   2           HA       VAL   2 -10.885   0.410   2.741
 1746    HB   VAL   2           HB       VAL   2 -10.662   3.079   1.342
 1747   1HG1  VAL   2          1HG1      VAL   2 -12.366   0.691   1.015
 1748   2HG1  VAL   2          3HG1      VAL   2 -13.186   2.252   0.933
 1749   3HG1  VAL   2          2HG1      VAL   2 -11.855   1.895  -0.168
 1750   1HG2  VAL   2          3HG2      VAL   2 -11.405   2.841   3.908
 1751   2HG2  VAL   2          2HG2      VAL   2 -12.111   4.021   2.806
 1752   3HG2  VAL   2          1HG2      VAL   2 -12.948   2.502   3.125
 1753    H    CYS   3           H        CYS   3  -9.037  -0.973   2.180
 1754    HA   CYS   3           HA       CYS   3  -8.590  -0.946  -0.649
 1755   1HB   CYS   3          2HB       CYS   3  -6.202  -0.765  -0.662
 1756   2HB   CYS   3          1HB       CYS   3  -6.828   0.625   0.215
 1757    HA   PRO   4           HA       PRO   4  -8.975  -5.316   0.089
 1758   1HB   PRO   4          2HB       PRO   4  -7.032  -5.371  -2.190
 1759   2HB   PRO   4          1HB       PRO   4  -8.501  -6.324  -1.944
 1760   1HG   PRO   4          2HG       PRO   4  -8.504  -4.243  -3.603
 1761   2HG   PRO   4          1HG       PRO   4  -9.898  -4.576  -2.560
 1762   1HD   PRO   4          2HD       PRO   4  -7.835  -2.449  -2.340
 1763   2HD   PRO   4          1HD       PRO   4  -9.532  -2.438  -1.821
 1764    H    ARG   5           H        ARG   5  -7.928  -6.541   1.522
 1765    HA   ARG   5           HA       ARG   5  -5.347  -5.876   2.473
 1766   1HB   ARG   5          2HB       ARG   5  -7.419  -7.237   3.521
 1767   2HB   ARG   5          1HB       ARG   5  -6.414  -8.590   3.019
 1768   1HG   ARG   5          2HG       ARG   5  -5.507  -6.335   4.798
 1769   2HG   ARG   5          1HG       ARG   5  -6.035  -7.924   5.355
 1770   1HD   ARG   5          2HD       ARG   5  -4.119  -8.463   3.414
 1771   2HD   ARG   5          1HD       ARG   5  -3.471  -7.087   4.305
 1772    HE   ARG   5           HE       ARG   5  -4.460  -9.197   5.988
 1773   1HH1  ARG   5          1HH1      ARG   5  -1.706  -8.011   4.203
 1774   2HH1  ARG   5          2HH1      ARG   5  -0.554  -8.873   5.165
 1775   1HH2  ARG   5          1HH2      ARG   5  -2.945 -10.331   7.255
 1776   2HH2  ARG   5          2HH2      ARG   5  -1.257 -10.191   6.898
 1777    H    ILE   6           H        ILE   6  -4.131  -5.935   0.477
 1778    HA   ILE   6           HA       ILE   6  -3.118  -8.634  -0.074
 1779    HB   ILE   6           HB       ILE   6  -2.876  -7.981  -2.495
 1780   1HG1  ILE   6          2HG1      ILE   6  -4.945  -5.889  -1.800
 1781   2HG1  ILE   6          1HG1      ILE   6  -3.242  -5.526  -2.061
 1782   1HG2  ILE   6          3HG2      ILE   6  -4.839  -9.301  -1.253
 1783   2HG2  ILE   6          2HG2      ILE   6  -5.783  -7.988  -1.956
 1784   3HG2  ILE   6          1HG2      ILE   6  -4.817  -9.035  -2.997
 1785   1HD1  ILE   6          1HD1      ILE   6  -3.706  -6.805  -4.330
 1786   2HD1  ILE   6          3HD1      ILE   6  -5.351  -6.256  -4.002
 1787   3HD1  ILE   6          2HD1      ILE   6  -4.040  -5.084  -4.133
 1788    H    LEU   7           H        LEU   7  -0.964  -8.760  -0.057
 1789    HA   LEU   7           HA       LEU   7   0.658  -6.649   0.768
 1790   1HB   LEU   7          2HB       LEU   7   1.453  -9.165  -0.701
 1791   2HB   LEU   7          1HB       LEU   7   2.553  -8.108   0.162
 1792    HG   LEU   7           HG       LEU   7   0.267  -9.569   1.480
 1793   1HD1  LEU   7          2HD1      LEU   7   2.996 -10.439   0.775
 1794   2HD1  LEU   7          1HD1      LEU   7   2.454 -10.804   2.414
 1795   3HD1  LEU   7          3HD1      LEU   7   1.529 -11.385   1.029
 1796   1HD2  LEU   7          3HD2      LEU   7   1.716  -7.413   2.361
 1797   2HD2  LEU   7          2HD2      LEU   7   0.868  -8.571   3.387
 1798   3HD2  LEU   7          1HD2      LEU   7   2.588  -8.778   3.060
 1799    H    LEU   8           H        LEU   8   1.973  -5.199  -0.267
 1800    HA   LEU   8           HA       LEU   8   2.497  -5.336  -3.078
 1801   1HB   LEU   8          2HB       LEU   8   0.052  -4.356  -2.593
 1802   2HB   LEU   8          1HB       LEU   8   0.978  -2.880  -2.399
 1803    HG   LEU   8           HG       LEU   8   1.544  -4.455  -4.839
 1804   1HD1  LEU   8          3HD1      LEU   8  -1.100  -3.156  -4.287
 1805   2HD1  LEU   8          2HD1      LEU   8  -0.454  -3.267  -5.923
 1806   3HD1  LEU   8          1HD1      LEU   8  -0.765  -4.735  -4.996
 1807   1HD2  LEU   8          3HD2      LEU   8   1.114  -1.524  -4.272
 1808   2HD2  LEU   8          2HD2      LEU   8   2.670  -2.347  -4.398
 1809   3HD2  LEU   8          1HD2      LEU   8   1.630  -2.207  -5.815
 1810    H    GLU   9           H        GLU   9   4.528  -4.670  -3.160
 1811    HA   GLU   9           HA       GLU   9   5.450  -2.630  -1.270
 1812   1HB   GLU   9          2HB       GLU   9   7.717  -3.371  -1.889
 1813   2HB   GLU   9          1HB       GLU   9   6.729  -4.701  -1.297
 1814   1HG   GLU   9          2HG       GLU   9   6.371  -5.495  -3.540
 1815   2HG   GLU   9          1HG       GLU   9   7.219  -4.100  -4.205
 1816    H    CYS  10           H        CYS  10   6.070  -0.648  -1.889
 1817    HA   CYS  10           HA       CYS  10   6.758  -0.100  -4.653
 1818   1HB   CYS  10          2HB       CYS  10   4.866   1.919  -3.911
 1819   2HB   CYS  10          1HB       CYS  10   4.819   0.818  -5.283
 1820    H    LYS  11           H        LYS  11   7.495   2.156  -4.954
 1821    HA   LYS  11           HA       LYS  11   9.085   2.972  -2.679
 1822   1HB   LYS  11          2HB       LYS  11   9.439   3.049  -5.432
 1823   2HB   LYS  11          1HB       LYS  11   9.182   4.734  -5.001
 1824   1HG   LYS  11          2HG       LYS  11  11.077   3.205  -3.325
 1825   2HG   LYS  11          1HG       LYS  11  11.579   3.576  -4.975
 1826   1HD   LYS  11          2HD       LYS  11  12.297   5.499  -4.031
 1827   2HD   LYS  11          1HD       LYS  11  10.608   5.976  -4.228
 1828   1HE   LYS  11          2HE       LYS  11  10.562   4.653  -1.835
 1829   2HE   LYS  11          1HE       LYS  11  12.145   5.429  -1.796
 1830   1HZ   LYS  11          3HZ       LYS  11   9.915   7.086  -2.659
 1831   2HZ   LYS  11          2HZ       LYS  11   9.921   6.640  -1.028
 1832   3HZ   LYS  11          1HZ       LYS  11  11.238   7.475  -1.680
 1833    H    LYS  12           H        LYS  12   6.795   4.607  -4.872
 1834    HA   LYS  12           HA       LYS  12   6.428   6.733  -2.909
 1835   1HB   LYS  12          2HB       LYS  12   6.730   7.365  -5.256
 1836   2HB   LYS  12          1HB       LYS  12   5.326   6.407  -5.707
 1837   1HG   LYS  12          2HG       LYS  12   3.889   8.008  -5.103
 1838   2HG   LYS  12          1HG       LYS  12   4.783   8.393  -3.632
 1839   1HD   LYS  12          2HD       LYS  12   6.453   9.290  -5.635
 1840   2HD   LYS  12          1HD       LYS  12   4.844   9.674  -6.251
 1841   1HE   LYS  12          2HE       LYS  12   4.582  11.337  -4.787
 1842   2HE   LYS  12          1HE       LYS  12   5.121  10.335  -3.439
 1843   1HZ   LYS  12          1HZ       LYS  12   7.443  10.758  -4.554
 1844   2HZ   LYS  12          3HZ       LYS  12   6.666  12.138  -5.150
 1845   3HZ   LYS  12          2HZ       LYS  12   6.771  11.880  -3.482
 1846    H    ASP  13           H        ASP  13   4.544   7.112  -1.809
 1847    HA   ASP  13           HA       ASP  13   2.873   4.951  -1.251
 1848   1HB   ASP  13          2HB       ASP  13   2.219   7.855  -0.768
 1849   2HB   ASP  13          1HB       ASP  13   1.553   6.469   0.080
 1850    H    SER  14           H        SER  14   2.532   7.575  -3.525
 1851    HA   SER  14           HA       SER  14  -0.159   7.385  -4.151
 1852   1HB   SER  14          2HB       SER  14   1.914   8.871  -5.085
 1853   2HB   SER  14          1HB       SER  14   1.643   7.795  -6.455
 1854    H    ASP  15           H        ASP  15   2.518   5.345  -5.150
 1855    HA   ASP  15           HA       ASP  15   1.428   4.014  -7.303
 1856   1HB   ASP  15          2HB       ASP  15   3.449   3.340  -5.244
 1857   2HB   ASP  15          1HB       ASP  15   2.791   1.994  -6.165
 1858    H    CYS  16           H        CYS  16   0.755   3.539  -3.882
 1859    HA   CYS  16           HA       CYS  16  -0.436   1.075  -3.871
 1860   1HB   CYS  16          2HB       CYS  16  -0.148   2.901  -1.983
 1861   2HB   CYS  16          1HB       CYS  16  -1.815   3.244  -2.352
 1862    H    LEU  17           H        LEU  17  -2.863   0.713  -3.511
 1863    HA   LEU  17           HA       LEU  17  -4.303   1.948  -5.769
 1864   1HB   LEU  17          2HB       LEU  17  -5.537  -0.164  -5.978
 1865   2HB   LEU  17          1HB       LEU  17  -3.813  -0.373  -6.215
 1866    HG   LEU  17           HG       LEU  17  -4.066  -0.900  -3.541
 1867   1HD1  LEU  17          1HD1      LEU  17  -6.637  -1.513  -4.894
 1868   2HD1  LEU  17          3HD1      LEU  17  -6.003  -2.688  -3.740
 1869   3HD1  LEU  17          2HD1      LEU  17  -6.318  -1.030  -3.229
 1870   1HD2  LEU  17          2HD2      LEU  17  -3.005  -2.150  -5.595
 1871   2HD2  LEU  17          1HD2      LEU  17  -3.373  -3.010  -4.100
 1872   3HD2  LEU  17          3HD2      LEU  17  -4.469  -3.126  -5.478
 1873    H    ALA  18           H        ALA  18  -6.746   1.717  -5.540
 1874    HA   ALA  18           HA       ALA  18  -8.614   2.473  -4.482
 1875   1HB   ALA  18           3HB      ALA  18  -8.459   0.194  -3.571
 1876   2HB   ALA  18          1HB       ALA  18  -9.201   1.317  -2.429
 1877   3HB   ALA  18          2HB       ALA  18  -7.525   0.814  -2.209
 1878    H    GLU  19           H        GLU  19  -8.067   2.522  -1.250
 1879    HA   GLU  19           HA       GLU  19  -7.058   5.287  -1.313
 1880   1HB   GLU  19          2HB       GLU  19  -9.598   4.626  -0.674
 1881   2HB   GLU  19          1HB       GLU  19  -8.845   4.490   0.909
 1882   1HG   GLU  19          2HG       GLU  19  -8.158   6.757   0.875
 1883   2HG   GLU  19          1HG       GLU  19  -8.577   6.925  -0.830
 1884    H    CYS  20           H        CYS  20  -5.123   3.534  -1.062
 1885    HA   CYS  20           HA       CYS  20  -4.482   3.597   1.802
 1886   1HB   CYS  20          2HB       CYS  20  -4.563   1.262   0.001
 1887   2HB   CYS  20          1HB       CYS  20  -3.095   1.401   0.963
 1888    H    VAL  21           H        VAL  21  -1.959   2.957   1.930
 1889    HA   VAL  21           HA       VAL  21  -0.616   4.559  -0.143
 1890    HB   VAL  21           HB       VAL  21   0.886   5.487   1.520
 1891   1HG1  VAL  21          2HG1      VAL  21  -2.051   5.810   2.083
 1892   2HG1  VAL  21          1HG1      VAL  21  -0.816   6.804   2.855
 1893   3HG1  VAL  21          3HG1      VAL  21  -1.004   6.836   1.103
 1894   1HG2  VAL  21          1HG2      VAL  21   0.811   3.542   3.075
 1895   2HG2  VAL  21          3HG2      VAL  21   0.637   5.101   3.881
 1896   3HG2  VAL  21          2HG2      VAL  21  -0.779   4.084   3.611
 1897    H    CYS  22           H        CYS  22   1.657   4.169  -0.355
 1898    HA   CYS  22           HA       CYS  22   2.313   1.330  -0.067
 1899   1HB   CYS  22          2HB       CYS  22   3.240   3.503  -1.921
 1900   2HB   CYS  22          1HB       CYS  22   4.238   2.087  -1.683
 1901    H    LEU  23           H        LEU  23   3.951   0.641   1.196
 1902    HA   LEU  23           HA       LEU  23   5.367   2.676   2.754
 1903   1HB   LEU  23          2HB       LEU  23   5.291  -0.282   3.296
 1904   2HB   LEU  23          1HB       LEU  23   5.734   1.006   4.401
 1905    HG   LEU  23           HG       LEU  23   2.969   0.994   3.283
 1906   1HD1  LEU  23          3HD1      LEU  23   3.596  -1.348   4.096
 1907   2HD1  LEU  23          2HD1      LEU  23   3.652  -0.632   5.707
 1908   3HD1  LEU  23          1HD1      LEU  23   2.153  -0.600   4.779
 1909   1HD2  LEU  23          3HD2      LEU  23   4.167   1.752   5.944
 1910   2HD2  LEU  23          2HD2      LEU  23   3.686   2.857   4.656
 1911   3HD2  LEU  23          1HD2      LEU  23   2.465   1.910   5.509
 1912    H    GLU  24           H        GLU  24   7.564   2.735   2.972
 1913    HA   GLU  24           HA       GLU  24   9.136   2.168   0.768
 1914   1HB   GLU  24          2HB       GLU  24  11.075   2.593   2.285
 1915   2HB   GLU  24          1HB       GLU  24   9.828   3.831   2.341
 1916   1HG   GLU  24          2HG       GLU  24   8.947   2.827   4.401
 1917   2HG   GLU  24          1HG       GLU  24  10.238   1.627   4.351
 1918    H    HIS  25           H        HIS  25   8.856   0.297   3.792
 1919    HA   HIS  25           HA       HIS  25  10.826  -1.585   3.237
 1920   1HB   HIS  25          2HB       HIS  25   9.535  -3.105   4.769
 1921   2HB   HIS  25          1HB       HIS  25   9.913  -1.523   5.436
 1922    HD1  HIS  25          1HD       HIS  25   7.986  -0.116   6.215
 1923    HD2  HIS  25          2HD       HIS  25   6.771  -3.430   4.027
 1924    HE1  HIS  25          1HE       HIS  25   5.490  -0.223   6.491
 1925    HE2  HIS  25          2HE       HIS  25   4.810  -2.345   5.319
 1926    H    GLY  26           H        GLY  26   7.697  -1.189   1.853
 1927   1HA   GLY  26          1HA       GLY  26   8.167  -3.632   0.274
 1928   2HA   GLY  26          2HA       GLY  26   7.344  -2.197  -0.312
 1929    H    TYR  27           H        TYR  27   5.322  -1.626   1.060
 1930    HA   TYR  27           HA       TYR  27   3.528  -3.815   0.813
 1931   1HB   TYR  27          2HB       TYR  27   4.444  -3.037   3.556
 1932   2HB   TYR  27          1HB       TYR  27   2.803  -3.615   3.314
 1933    HD1  TYR  27          1HD       TYR  27   3.247  -5.718   1.271
 1934    HD2  TYR  27          2HD       TYR  27   5.485  -4.739   4.754
 1935    HE1  TYR  27          1HE       TYR  27   4.060  -8.036   1.396
 1936    HE2  TYR  27          2HE       TYR  27   6.304  -7.052   4.887
 1937    HH   TYR  27           HH       TYR  27   6.559  -9.036   2.822
 1938    H    CYS  28           H        CYS  28   1.365  -3.167   0.880
 1939    HA   CYS  28           HA       CYS  28   0.983  -0.260   0.859
 1940   1HB   CYS  28          2HB       CYS  28  -0.121  -2.478  -0.655
 1941   2HB   CYS  28          1HB       CYS  28  -1.397  -1.472   0.019
 1942    H    GLY  29           H        GLY  29   0.231   0.640   2.656
 1943   1HA   GLY  29          1HA       GLY  29  -0.697  -0.641   4.910
 1944   2HA   GLY  29          2HA       GLY  29  -2.129  -0.321   3.945
 1945    H1   ARG   1          1HT       ARG   1 -10.084   4.517   3.336
 1946    H2   ARG   1          3HT       ARG   1 -10.147   4.249   5.028
 1947    H3   ARG   1          2HT       ARG   1  -8.985   5.331   4.373
 1948    HA   ARG   1           HA       ARG   1  -7.856   3.592   3.302
 1949   1HB   ARG   1          2HB       ARG   1  -8.515   2.747   6.128
 1950   2HB   ARG   1          1HB       ARG   1  -7.012   2.470   5.257
 1951   1HG   ARG   1          2HG       ARG   1  -6.317   4.248   6.435
 1952   2HG   ARG   1          1HG       ARG   1  -7.121   5.155   5.152
 1953   1HD   ARG   1          2HD       ARG   1  -8.028   6.138   7.021
 1954   2HD   ARG   1          1HD       ARG   1  -9.222   4.883   6.686
 1955    HE   ARG   1           HE       ARG   1  -7.149   4.049   8.493
 1956   1HH1  ARG   1          1HH1      ARG   1 -10.242   5.645   8.232
 1957   2HH1  ARG   1          2HH1      ARG   1 -10.693   5.310   9.870
 1958   1HH2  ARG   1          1HH2      ARG   1  -7.741   3.608  10.648
 1959   2HH2  ARG   1          2HH2      ARG   1  -9.273   4.154  11.242
 1960    H    VAL   2           H        VAL   2 -10.089   2.933   2.089
 1961    HA   VAL   2           HA       VAL   2 -10.810   0.211   2.922
 1962    HB   VAL   2           HB       VAL   2 -12.630   0.445   1.189
 1963   1HG1  VAL   2          3HG1      VAL   2 -12.610   1.110   3.792
 1964   2HG1  VAL   2          2HG1      VAL   2 -13.081   2.657   3.089
 1965   3HG1  VAL   2          1HG1      VAL   2 -14.045   1.214   2.774
 1966   1HG2  VAL   2          3HG2      VAL   2 -11.223   2.556   0.277
 1967   2HG2  VAL   2          2HG2      VAL   2 -12.947   2.330  -0.012
 1968   3HG2  VAL   2          1HG2      VAL   2 -12.403   3.382   1.294
 1969    H    CYS   3           H        CYS   3  -8.713  -0.568   2.151
 1970    HA   CYS   3           HA       CYS   3  -8.807  -1.109  -0.734
 1971   1HB   CYS   3          2HB       CYS   3  -6.470  -0.764  -0.997
 1972   2HB   CYS   3          1HB       CYS   3  -7.077   0.641  -0.131
 1973    HA   PRO   4           HA       PRO   4  -8.849  -5.390   0.476
 1974   1HB   PRO   4          2HB       PRO   4  -7.122  -5.588  -1.962
 1975   2HB   PRO   4          1HB       PRO   4  -8.505  -6.579  -1.483
 1976   1HG   PRO   4          2HG       PRO   4  -8.775  -4.691  -3.337
 1977   2HG   PRO   4          1HG       PRO   4 -10.050  -4.974  -2.137
 1978   1HD   PRO   4          2HD       PRO   4  -8.090  -2.747  -2.329
 1979   2HD   PRO   4          1HD       PRO   4  -9.737  -2.751  -1.669
 1980    H    ARG   5           H        ARG   5  -7.609  -6.268   2.004
 1981    HA   ARG   5           HA       ARG   5  -4.980  -5.404   2.552
 1982   1HB   ARG   5          2HB       ARG   5  -6.868  -6.686   3.990
 1983   2HB   ARG   5          1HB       ARG   5  -5.825  -8.044   3.595
 1984   1HG   ARG   5          2HG       ARG   5  -4.597  -7.468   5.348
 1985   2HG   ARG   5          1HG       ARG   5  -4.068  -6.068   4.413
 1986   1HD   ARG   5          2HD       ARG   5  -6.499  -6.131   6.195
 1987   2HD   ARG   5          1HD       ARG   5  -4.928  -5.483   6.663
 1988    HE   ARG   5           HE       ARG   5  -6.888  -4.236   4.966
 1989   1HH1  ARG   5          1HH1      ARG   5  -3.507  -4.367   5.821
 1990   2HH1  ARG   5          2HH1      ARG   5  -3.176  -2.760   5.266
 1991   1HH2  ARG   5          1HH2      ARG   5  -6.455  -2.123   4.237
 1992   2HH2  ARG   5          2HH2      ARG   5  -4.849  -1.485   4.368
 1993    H    ILE   6           H        ILE   6  -3.971  -5.709   0.467
 1994    HA   ILE   6           HA       ILE   6  -3.024  -8.474   0.094
 1995    HB   ILE   6           HB       ILE   6  -2.806  -7.952  -2.343
 1996   1HG1  ILE   6          2HG1      ILE   6  -4.840  -5.823  -2.173
 1997   2HG1  ILE   6          1HG1      ILE   6  -3.238  -5.363  -1.602
 1998   1HG2  ILE   6          1HG2      ILE   6  -4.888  -8.983  -0.995
 1999   2HG2  ILE   6          3HG2      ILE   6  -5.687  -7.632  -1.800
 2000   3HG2  ILE   6          2HG2      ILE   6  -4.838  -8.849  -2.752
 2001   1HD1  ILE   6          1HD1      ILE   6  -3.251  -6.788  -4.157
 2002   2HD1  ILE   6          3HD1      ILE   6  -4.068  -5.226  -4.174
 2003   3HD1  ILE   6          2HD1      ILE   6  -2.383  -5.334  -3.666
 2004    H    LEU   7           H        LEU   7  -0.868  -8.747  -0.093
 2005    HA   LEU   7           HA       LEU   7   0.904  -6.751   0.731
 2006   1HB   LEU   7          2HB       LEU   7   1.495  -9.263  -0.839
 2007   2HB   LEU   7          1HB       LEU   7   2.687  -8.294   0.006
 2008    HG   LEU   7           HG       LEU   7   0.408  -9.788   1.306
 2009   1HD1  LEU   7          2HD1      LEU   7   3.207 -10.482   0.686
 2010   2HD1  LEU   7          1HD1      LEU   7   2.639 -10.889   2.305
 2011   3HD1  LEU   7          3HD1      LEU   7   1.795 -11.517   0.890
 2012   1HD2  LEU   7          2HD2      LEU   7   2.023  -7.617   2.230
 2013   2HD2  LEU   7          1HD2      LEU   7   0.749  -8.495   3.076
 2014   3HD2  LEU   7          3HD2      LEU   7   2.415  -9.069   3.152
 2015    H    LEU   8           H        LEU   8   2.105  -5.249  -0.304
 2016    HA   LEU   8           HA       LEU   8   2.619  -5.354  -3.120
 2017   1HB   LEU   8          2HB       LEU   8   0.170  -4.397  -2.607
 2018   2HB   LEU   8          1HB       LEU   8   1.088  -2.917  -2.399
 2019    HG   LEU   8           HG       LEU   8   1.540  -4.520  -4.872
 2020   1HD1  LEU   8          2HD1      LEU   8  -0.966  -3.095  -4.157
 2021   2HD1  LEU   8          1HD1      LEU   8  -0.351  -2.936  -5.803
 2022   3HD1  LEU   8          3HD1      LEU   8  -0.724  -4.531  -5.151
 2023   1HD2  LEU   8          3HD2      LEU   8   2.880  -2.514  -4.336
 2024   2HD2  LEU   8          2HD2      LEU   8   1.956  -2.348  -5.829
 2025   3HD2  LEU   8          1HD2      LEU   8   1.400  -1.554  -4.356
 2026    H    GLU   9           H        GLU   9   4.629  -4.653  -3.237
 2027    HA   GLU   9           HA       GLU   9   5.579  -2.656  -1.314
 2028   1HB   GLU   9          2HB       GLU   9   7.829  -3.377  -1.956
 2029   2HB   GLU   9          1HB       GLU   9   6.848  -4.746  -1.449
 2030   1HG   GLU   9          2HG       GLU   9   7.396  -5.762  -3.332
 2031   2HG   GLU   9          1HG       GLU   9   6.474  -4.543  -4.210
 2032    H    CYS  10           H        CYS  10   6.110  -0.642  -1.899
 2033    HA   CYS  10           HA       CYS  10   6.835  -0.017  -4.629
 2034   1HB   CYS  10          2HB       CYS  10   4.838   1.906  -4.007
 2035   2HB   CYS  10          1HB       CYS  10   4.848   0.734  -5.319
 2036    H    LYS  11           H        LYS  11   7.540   2.226  -4.883
 2037    HA   LYS  11           HA       LYS  11   8.936   3.125  -2.516
 2038   1HB   LYS  11          2HB       LYS  11   8.928   4.112  -5.371
 2039   2HB   LYS  11          1HB       LYS  11   9.902   4.828  -4.095
 2040   1HG   LYS  11          2HG       LYS  11  11.023   2.655  -3.774
 2041   2HG   LYS  11          1HG       LYS  11  10.091   2.005  -5.125
 2042   1HD   LYS  11          2HD       LYS  11  11.077   4.048  -6.416
 2043   2HD   LYS  11          1HD       LYS  11  12.289   4.031  -5.133
 2044   1HE   LYS  11          2HE       LYS  11  13.135   1.992  -5.777
 2045   2HE   LYS  11          1HE       LYS  11  11.625   1.483  -6.530
 2046   1HZ   LYS  11          2HZ       LYS  11  12.178   3.427  -8.152
 2047   2HZ   LYS  11          1HZ       LYS  11  13.762   3.179  -7.612
 2048   3HZ   LYS  11          3HZ       LYS  11  12.911   1.916  -8.352
 2049    H    LYS  12           H        LYS  12   6.785   4.692  -4.892
 2050    HA   LYS  12           HA       LYS  12   6.251   6.863  -3.047
 2051   1HB   LYS  12          2HB       LYS  12   6.534   7.294  -5.465
 2052   2HB   LYS  12          1HB       LYS  12   5.112   6.316  -5.794
 2053   1HG   LYS  12          2HG       LYS  12   3.930   8.186  -5.670
 2054   2HG   LYS  12          1HG       LYS  12   4.235   8.168  -3.933
 2055   1HD   LYS  12          2HD       LYS  12   6.222   9.528  -4.240
 2056   2HD   LYS  12          1HD       LYS  12   6.000   9.490  -5.991
 2057   1HE   LYS  12          2HE       LYS  12   4.887  11.410  -5.720
 2058   2HE   LYS  12          1HE       LYS  12   3.574  10.406  -5.105
 2059   1HZ   LYS  12          2HZ       LYS  12   5.642  11.208  -3.209
 2060   2HZ   LYS  12          1HZ       LYS  12   4.572  12.409  -3.732
 2061   3HZ   LYS  12          3HZ       LYS  12   3.978  11.016  -2.977
 2062    H    ASP  13           H        ASP  13   4.485   7.073  -1.791
 2063    HA   ASP  13           HA       ASP  13   2.842   4.905  -1.238
 2064   1HB   ASP  13          2HB       ASP  13   2.159   7.791  -0.690
 2065   2HB   ASP  13          1HB       ASP  13   1.541   6.381   0.155
 2066    H    SER  14           H        SER  14   2.402   7.559  -3.456
 2067    HA   SER  14           HA       SER  14  -0.303   7.328  -4.021
 2068   1HB   SER  14          2HB       SER  14   1.962   8.019  -5.910
 2069   2HB   SER  14          1HB       SER  14   0.252   8.308  -6.231
 2070    H    ASP  15           H        ASP  15   2.403   5.372  -5.082
 2071    HA   ASP  15           HA       ASP  15   1.320   4.033  -7.236
 2072   1HB   ASP  15          2HB       ASP  15   3.643   3.853  -5.827
 2073   2HB   ASP  15          1HB       ASP  15   2.867   2.331  -5.396
 2074    H    CYS  16           H        CYS  16   0.723   3.515  -3.812
 2075    HA   CYS  16           HA       CYS  16  -0.375   1.018  -3.763
 2076   1HB   CYS  16          2HB       CYS  16  -0.157   2.881  -1.902
 2077   2HB   CYS  16          1HB       CYS  16  -1.838   3.146  -2.269
 2078    H    LEU  17           H        LEU  17  -2.745   0.519  -3.400
 2079    HA   LEU  17           HA       LEU  17  -4.228   1.511  -5.732
 2080   1HB   LEU  17          2HB       LEU  17  -5.535  -0.537  -5.582
 2081   2HB   LEU  17          1HB       LEU  17  -3.821  -0.894  -5.684
 2082    HG   LEU  17           HG       LEU  17  -4.155  -0.890  -2.993
 2083   1HD1  LEU  17          2HD1      LEU  17  -6.560  -0.517  -3.157
 2084   2HD1  LEU  17          1HD1      LEU  17  -6.722  -1.963  -4.153
 2085   3HD1  LEU  17          3HD1      LEU  17  -6.205  -2.104  -2.473
 2086   1HD2  LEU  17          3HD2      LEU  17  -3.258  -2.632  -4.734
 2087   2HD2  LEU  17          2HD2      LEU  17  -3.737  -3.143  -3.116
 2088   3HD2  LEU  17          1HD2      LEU  17  -4.833  -3.384  -4.476
 2089    H    ALA  18           H        ALA  18  -6.555   1.822  -5.522
 2090    HA   ALA  18           HA       ALA  18  -8.285   2.970  -4.566
 2091   1HB   ALA  18          2HB       ALA  18  -8.212   0.571  -3.467
 2092   2HB   ALA  18          1HB       ALA  18  -7.857   1.501  -2.011
 2093   3HB   ALA  18           3HB      ALA  18  -9.346   1.799  -2.906
 2094    H    GLU  19           H        GLU  19  -8.568   3.476  -1.650
 2095    HA   GLU  19           HA       GLU  19  -6.862   5.832  -1.560
 2096   1HB   GLU  19          2HB       GLU  19  -9.463   5.573  -0.985
 2097   2HB   GLU  19          1HB       GLU  19  -8.805   5.255   0.614
 2098   1HG   GLU  19          2HG       GLU  19  -7.418   7.476  -0.095
 2099   2HG   GLU  19          1HG       GLU  19  -8.962   7.755  -0.902
 2100    H    CYS  20           H        CYS  20  -5.116   3.938  -1.261
 2101    HA   CYS  20           HA       CYS  20  -4.614   3.816   1.634
 2102   1HB   CYS  20          2HB       CYS  20  -4.706   1.623  -0.333
 2103   2HB   CYS  20          1HB       CYS  20  -3.280   1.620   0.700
 2104    H    VAL  21           H        VAL  21  -2.082   2.856   1.676
 2105    HA   VAL  21           HA       VAL  21  -0.584   4.591  -0.156
 2106    HB   VAL  21           HB       VAL  21   0.848   5.405   1.601
 2107   1HG1  VAL  21          3HG1      VAL  21  -2.099   5.753   1.946
 2108   2HG1  VAL  21          2HG1      VAL  21  -0.981   6.550   3.052
 2109   3HG1  VAL  21          1HG1      VAL  21  -0.899   6.886   1.323
 2110   1HG2  VAL  21          2HG2      VAL  21   0.771   3.409   3.047
 2111   2HG2  VAL  21          1HG2      VAL  21   0.481   4.898   3.947
 2112   3HG2  VAL  21          3HG2      VAL  21  -0.869   3.840   3.531
 2113    H    CYS  22           H        CYS  22   1.647   4.113  -0.326
 2114    HA   CYS  22           HA       CYS  22   2.214   1.249  -0.126
 2115   1HB   CYS  22          2HB       CYS  22   3.190   3.455  -1.905
 2116   2HB   CYS  22          1HB       CYS  22   4.208   2.054  -1.670
 2117    H    LEU  23           H        LEU  23   3.925   0.470   1.038
 2118    HA   LEU  23           HA       LEU  23   5.251   2.404   2.789
 2119   1HB   LEU  23          2HB       LEU  23   5.067  -0.599   3.008
 2120   2HB   LEU  23          1HB       LEU  23   5.802   0.469   4.189
 2121    HG   LEU  23           HG       LEU  23   2.947   0.925   3.456
 2122   1HD1  LEU  23          1HD1      LEU  23   3.502  -1.586   3.976
 2123   2HD1  LEU  23          3HD1      LEU  23   3.563  -1.000   5.638
 2124   3HD1  LEU  23          2HD1      LEU  23   2.092  -0.802   4.687
 2125   1HD2  LEU  23          3HD2      LEU  23   4.611   1.240   5.945
 2126   2HD2  LEU  23          2HD2      LEU  23   3.948   2.515   4.923
 2127   3HD2  LEU  23          1HD2      LEU  23   2.869   1.505   5.886
 2128    H    GLU  24           H        GLU  24   7.433   2.557   3.016
 2129    HA   GLU  24           HA       GLU  24   9.052   2.184   0.797
 2130   1HB   GLU  24          2HB       GLU  24  10.954   2.603   2.380
 2131   2HB   GLU  24          1HB       GLU  24   9.667   3.800   2.438
 2132   1HG   GLU  24          2HG       GLU  24   8.831   2.109   4.358
 2133   2HG   GLU  24          1HG       GLU  24  10.576   1.892   4.481
 2134    H    HIS  25           H        HIS  25   8.891   0.201   3.760
 2135    HA   HIS  25           HA       HIS  25  10.909  -1.595   3.093
 2136   1HB   HIS  25          2HB       HIS  25   9.666  -3.211   4.602
 2137   2HB   HIS  25          1HB       HIS  25  10.094  -1.662   5.316
 2138    HD1  HIS  25          1HD       HIS  25   8.241  -0.368   6.359
 2139    HD2  HIS  25          2HD       HIS  25   6.848  -3.369   3.849
 2140    HE1  HIS  25          1HE       HIS  25   5.752  -0.429   6.705
 2141    HE2  HIS  25          2HE       HIS  25   4.962  -2.370   5.308
 2142    H    GLY  26           H        GLY  26   7.732  -1.258   1.814
 2143   1HA   GLY  26          1HA       GLY  26   8.213  -3.651   0.163
 2144   2HA   GLY  26          2HA       GLY  26   7.347  -2.221  -0.371
 2145    H    TYR  27           H        TYR  27   5.355  -1.715   1.061
 2146    HA   TYR  27           HA       TYR  27   3.594  -3.931   0.826
 2147   1HB   TYR  27          2HB       TYR  27   4.587  -3.194   3.557
 2148   2HB   TYR  27          1HB       TYR  27   2.948  -3.796   3.354
 2149    HD1  TYR  27          1HD       TYR  27   3.312  -5.856   1.285
 2150    HD2  TYR  27          2HD       TYR  27   5.741  -4.892   4.642
 2151    HE1  TYR  27          1HE       TYR  27   4.162  -8.163   1.326
 2152    HE2  TYR  27          2HE       TYR  27   6.597  -7.196   4.692
 2153    HH   TYR  27           HH       TYR  27   6.834  -9.113   2.785
 2154    H    CYS  28           H        CYS  28   1.458  -3.302   0.836
 2155    HA   CYS  28           HA       CYS  28   1.002  -0.411   1.023
 2156   1HB   CYS  28          2HB       CYS  28  -0.040  -2.551  -0.659
 2157   2HB   CYS  28          1HB       CYS  28  -1.329  -1.575   0.036
 2158    H    GLY  29           H        GLY  29  -0.030   0.417   2.717
 2159   1HA   GLY  29          1HA       GLY  29  -0.829   0.181   4.950
 2160   2HA   GLY  29          2HA       GLY  29  -1.432  -1.416   4.533
 2161    H1   ARG   1          3HT       ARG   1 -11.304   5.381   2.724
 2162    H2   ARG   1          2HT       ARG   1 -10.692   5.693   1.151
 2163    H3   ARG   1          1HT       ARG   1 -12.315   6.096   1.538
 2164    HA   ARG   1           HA       ARG   1 -12.982   3.925   1.614
 2165   1HB   ARG   1          2HB       ARG   1 -11.954   5.050  -0.638
 2166   2HB   ARG   1          1HB       ARG   1 -11.033   3.552  -0.576
 2167   1HG   ARG   1          2HG       ARG   1 -12.835   2.262  -1.028
 2168   2HG   ARG   1          1HG       ARG   1 -13.952   3.331  -0.176
 2169   1HD   ARG   1          2HD       ARG   1 -13.792   4.940  -2.030
 2170   2HD   ARG   1          1HD       ARG   1 -12.719   3.832  -2.884
 2171    HE   ARG   1           HE       ARG   1 -14.550   2.641  -3.537
 2172   1HH1  ARG   1          1HH1      ARG   1 -15.439   4.614  -0.800
 2173   2HH1  ARG   1          2HH1      ARG   1 -17.119   4.205  -0.891
 2174   1HH2  ARG   1          1HH2      ARG   1 -16.760   2.102  -3.660
 2175   2HH2  ARG   1          2HH2      ARG   1 -17.869   2.778  -2.515
 2176    H    VAL   2           H        VAL   2 -12.246   1.576   1.079
 2177    HA   VAL   2           HA       VAL   2  -9.919   0.992   2.786
 2178    HB   VAL   2           HB       VAL   2 -12.049   0.145   3.667
 2179   1HG1  VAL   2          1HG1      VAL   2 -13.179  -0.143   1.490
 2180   2HG1  VAL   2          3HG1      VAL   2 -12.167  -1.553   1.178
 2181   3HG1  VAL   2          2HG1      VAL   2 -13.308  -1.568   2.523
 2182   1HG2  VAL   2          3HG2      VAL   2  -9.859  -1.077   3.966
 2183   2HG2  VAL   2          2HG2      VAL   2 -11.314  -2.046   4.191
 2184   3HG2  VAL   2          1HG2      VAL   2 -10.393  -2.173   2.692
 2185    H    CYS   3           H        CYS   3  -8.307  -0.314   2.070
 2186    HA   CYS   3           HA       CYS   3  -8.433  -1.109  -0.753
 2187   1HB   CYS   3          2HB       CYS   3  -6.018  -1.047  -0.763
 2188   2HB   CYS   3          1HB       CYS   3  -6.620   0.458  -0.081
 2189    HA   PRO   4           HA       PRO   4  -8.933  -5.404   0.295
 2190   1HB   PRO   4          2HB       PRO   4  -7.001  -5.669  -1.979
 2191   2HB   PRO   4          1HB       PRO   4  -8.490  -6.567  -1.662
 2192   1HG   PRO   4          2HG       PRO   4  -8.451  -4.609  -3.463
 2193   2HG   PRO   4          1HG       PRO   4  -9.849  -4.834  -2.396
 2194   1HD   PRO   4          2HD       PRO   4  -7.738  -2.745  -2.335
 2195   2HD   PRO   4          1HD       PRO   4  -9.430  -2.660  -1.806
 2196    H    ARG   5           H        ARG   5  -7.870  -6.793   1.603
 2197    HA   ARG   5           HA       ARG   5  -5.320  -6.059   2.638
 2198   1HB   ARG   5          2HB       ARG   5  -7.439  -7.911   3.309
 2199   2HB   ARG   5          1HB       ARG   5  -5.866  -8.681   3.471
 2200   1HG   ARG   5          2HG       ARG   5  -5.511  -7.641   5.390
 2201   2HG   ARG   5          1HG       ARG   5  -5.757  -6.070   4.625
 2202   1HD   ARG   5          2HD       ARG   5  -8.203  -6.374   4.902
 2203   2HD   ARG   5          1HD       ARG   5  -7.885  -7.872   5.775
 2204    HE   ARG   5           HE       ARG   5  -6.429  -6.036   7.132
 2205   1HH1  ARG   5          1HH1      ARG   5  -9.774  -6.191   6.150
 2206   2HH1  ARG   5          2HH1      ARG   5 -10.343  -5.264   7.497
 2207   1HH2  ARG   5          1HH2      ARG   5  -7.175  -4.817   8.905
 2208   2HH2  ARG   5          2HH2      ARG   5  -8.867  -4.484   9.061
 2209    H    ILE   6           H        ILE   6  -4.074  -6.107   0.665
 2210    HA   ILE   6           HA       ILE   6  -2.990  -8.782   0.157
 2211    HB   ILE   6           HB       ILE   6  -2.799  -8.224  -2.279
 2212   1HG1  ILE   6          2HG1      ILE   6  -4.875  -6.515  -2.769
 2213   2HG1  ILE   6          1HG1      ILE   6  -4.180  -5.807  -1.315
 2214   1HG2  ILE   6          1HG2      ILE   6  -4.765  -9.486  -0.954
 2215   2HG2  ILE   6          3HG2      ILE   6  -5.702  -8.227  -1.759
 2216   3HG2  ILE   6          2HG2      ILE   6  -4.715  -9.337  -2.710
 2217   1HD1  ILE   6          1HD1      ILE   6  -2.275  -6.544  -3.436
 2218   2HD1  ILE   6          3HD1      ILE   6  -3.370  -5.206  -3.790
 2219   3HD1  ILE   6          2HD1      ILE   6  -2.314  -5.134  -2.378
 2220    H    LEU   7           H        LEU   7  -0.822  -8.833   0.070
 2221    HA   LEU   7           HA       LEU   7   0.727  -6.660   0.875
 2222   1HB   LEU   7          2HB       LEU   7   1.623  -9.110  -0.643
 2223   2HB   LEU   7          1HB       LEU   7   2.667  -8.026   0.258
 2224    HG   LEU   7           HG       LEU   7   0.566  -9.879   1.374
 2225   1HD1  LEU   7          1HD1      LEU   7   3.504  -9.908   1.138
 2226   2HD1  LEU   7          3HD1      LEU   7   2.842 -10.425   2.688
 2227   3HD1  LEU   7          2HD1      LEU   7   2.354 -11.243   1.205
 2228   1HD2  LEU   7          1HD2      LEU   7   1.662  -7.419   2.463
 2229   2HD2  LEU   7          3HD2      LEU   7   0.322  -8.411   3.035
 2230   3HD2  LEU   7          2HD2      LEU   7   1.975  -8.812   3.498
 2231    H    LEU   8           H        LEU   8   1.956  -5.152  -0.175
 2232    HA   LEU   8           HA       LEU   8   2.365  -5.251  -3.019
 2233   1HB   LEU   8          2HB       LEU   8  -0.023  -4.143  -2.200
 2234   2HB   LEU   8          1HB       LEU   8   1.015  -2.740  -2.358
 2235    HG   LEU   8           HG       LEU   8   1.465  -4.227  -4.686
 2236   1HD1  LEU   8          3HD1      LEU   8  -0.545  -5.542  -4.160
 2237   2HD1  LEU   8          2HD1      LEU   8  -1.489  -4.053  -4.109
 2238   3HD1  LEU   8          1HD1      LEU   8  -0.742  -4.572  -5.620
 2239   1HD2  LEU   8          2HD2      LEU   8   0.166  -1.681  -3.929
 2240   2HD2  LEU   8          1HD2      LEU   8   1.499  -1.990  -5.040
 2241   3HD2  LEU   8          3HD2      LEU   8  -0.162  -2.295  -5.549
 2242    H    GLU   9           H        GLU   9   4.419  -4.647  -3.145
 2243    HA   GLU   9           HA       GLU   9   5.444  -2.635  -1.279
 2244   1HB   GLU   9          2HB       GLU   9   7.662  -3.428  -1.910
 2245   2HB   GLU   9          1HB       GLU   9   6.649  -4.773  -1.403
 2246   1HG   GLU   9          2HG       GLU   9   6.192  -4.790  -4.061
 2247   2HG   GLU   9          1HG       GLU   9   7.847  -4.182  -4.018
 2248    H    CYS  10           H        CYS  10   6.019  -0.652  -1.905
 2249    HA   CYS  10           HA       CYS  10   6.726  -0.085  -4.652
 2250   1HB   CYS  10          2HB       CYS  10   4.788   1.898  -4.035
 2251   2HB   CYS  10          1HB       CYS  10   4.748   0.706  -5.329
 2252    H    LYS  11           H        LYS  11   7.536   2.100  -4.944
 2253    HA   LYS  11           HA       LYS  11   9.009   2.985  -2.640
 2254   1HB   LYS  11          2HB       LYS  11   9.136   3.348  -5.510
 2255   2HB   LYS  11          1HB       LYS  11   9.326   4.884  -4.677
 2256   1HG   LYS  11          2HG       LYS  11  11.442   4.387  -4.282
 2257   2HG   LYS  11          1HG       LYS  11  10.925   3.013  -3.305
 2258   1HD   LYS  11          2HD       LYS  11  10.660   1.859  -5.654
 2259   2HD   LYS  11          1HD       LYS  11  11.814   3.099  -6.149
 2260   1HE   LYS  11          2HE       LYS  11  12.205   1.142  -3.888
 2261   2HE   LYS  11          1HE       LYS  11  12.920   1.003  -5.494
 2262   1HZ   LYS  11          1HZ       LYS  11  13.854   3.331  -4.968
 2263   2HZ   LYS  11          3HZ       LYS  11  13.533   2.932  -3.354
 2264   3HZ   LYS  11          2HZ       LYS  11  14.591   1.980  -4.267
 2265    H    LYS  12           H        LYS  12   6.942   4.804  -4.912
 2266    HA   LYS  12           HA       LYS  12   6.437   6.827  -2.915
 2267   1HB   LYS  12          2HB       LYS  12   6.717   7.477  -5.252
 2268   2HB   LYS  12          1HB       LYS  12   5.350   6.475  -5.715
 2269   1HG   LYS  12          2HG       LYS  12   3.962   8.157  -5.350
 2270   2HG   LYS  12          1HG       LYS  12   4.502   8.269  -3.674
 2271   1HD   LYS  12          2HD       LYS  12   5.196  10.321  -4.278
 2272   2HD   LYS  12          1HD       LYS  12   6.571   9.456  -4.967
 2273   1HE   LYS  12          2HE       LYS  12   5.147   9.275  -7.089
 2274   2HE   LYS  12          1HE       LYS  12   4.131  10.516  -6.357
 2275   1HZ   LYS  12          2HZ       LYS  12   6.069  11.959  -6.216
 2276   2HZ   LYS  12          1HZ       LYS  12   7.035  10.770  -6.931
 2277   3HZ   LYS  12          3HZ       LYS  12   5.784  11.489  -7.815
 2278    H    ASP  13           H        ASP  13   4.593   7.136  -1.757
 2279    HA   ASP  13           HA       ASP  13   2.931   4.963  -1.234
 2280   1HB   ASP  13          2HB       ASP  13   2.281   7.853  -0.665
 2281   2HB   ASP  13          1HB       ASP  13   1.629   6.444   0.155
 2282    H    SER  14           H        SER  14   2.559   7.649  -3.429
 2283    HA   SER  14           HA       SER  14  -0.142   7.470  -4.028
 2284   1HB   SER  14          2HB       SER  14   1.760   9.096  -4.883
 2285   2HB   SER  14          1HB       SER  14   1.803   7.975  -6.244
 2286    H    ASP  15           H        ASP  15   2.536   5.480  -5.108
 2287    HA   ASP  15           HA       ASP  15   1.445   4.199  -7.289
 2288   1HB   ASP  15          2HB       ASP  15   3.713   3.886  -5.710
 2289   2HB   ASP  15          1HB       ASP  15   2.891   2.334  -5.590
 2290    H    CYS  16           H        CYS  16   0.794   3.625  -3.882
 2291    HA   CYS  16           HA       CYS  16  -0.374   1.153  -3.914
 2292   1HB   CYS  16          2HB       CYS  16  -0.092   2.916  -1.987
 2293   2HB   CYS  16          1HB       CYS  16  -1.749   3.310  -2.362
 2294    H    LEU  17           H        LEU  17  -2.780   0.731  -3.582
 2295    HA   LEU  17           HA       LEU  17  -4.236   1.965  -5.825
 2296   1HB   LEU  17          2HB       LEU  17  -5.447  -0.125  -6.060
 2297   2HB   LEU  17          1HB       LEU  17  -3.718  -0.397  -6.173
 2298    HG   LEU  17           HG       LEU  17  -4.056  -0.888  -3.553
 2299   1HD1  LEU  17          2HD1      LEU  17  -6.635  -0.522  -4.231
 2300   2HD1  LEU  17          1HD1      LEU  17  -6.479  -2.255  -4.518
 2301   3HD1  LEU  17          3HD1      LEU  17  -6.104  -1.587  -2.929
 2302   1HD2  LEU  17          3HD2      LEU  17  -4.095  -2.560  -5.991
 2303   2HD2  LEU  17          2HD2      LEU  17  -2.982  -2.571  -4.624
 2304   3HD2  LEU  17          1HD2      LEU  17  -4.561  -3.344  -4.482
 2305    H    ALA  18           H        ALA  18  -6.674   1.780  -5.591
 2306    HA   ALA  18           HA       ALA  18  -8.535   2.562  -4.540
 2307   1HB   ALA  18          2HB       ALA  18  -8.433   0.304  -3.601
 2308   2HB   ALA  18           3HB      ALA  18  -9.111   1.450  -2.445
 2309   3HB   ALA  18          1HB       ALA  18  -7.446   0.899  -2.267
 2310    H    GLU  19           H        GLU  19  -7.986   2.650  -1.308
 2311    HA   GLU  19           HA       GLU  19  -6.929   5.395  -1.408
 2312   1HB   GLU  19          2HB       GLU  19  -9.491   4.810  -0.794
 2313   2HB   GLU  19          1HB       GLU  19  -8.765   4.677   0.802
 2314   1HG   GLU  19          2HG       GLU  19  -8.720   6.876   1.020
 2315   2HG   GLU  19          1HG       GLU  19  -7.825   7.052  -0.488
 2316    H    CYS  20           H        CYS  20  -5.045   3.599  -1.102
 2317    HA   CYS  20           HA       CYS  20  -4.446   3.674   1.774
 2318   1HB   CYS  20          2HB       CYS  20  -4.440   1.346  -0.063
 2319   2HB   CYS  20          1HB       CYS  20  -3.070   1.473   1.036
 2320    H    VAL  21           H        VAL  21  -1.938   3.032   1.966
 2321    HA   VAL  21           HA       VAL  21  -0.539   4.649  -0.058
 2322    HB   VAL  21           HB       VAL  21   0.951   5.505   1.643
 2323   1HG1  VAL  21          2HG1      VAL  21  -1.107   6.740   1.198
 2324   2HG1  VAL  21          1HG1      VAL  21  -1.937   5.822   2.456
 2325   3HG1  VAL  21          3HG1      VAL  21  -0.615   6.909   2.884
 2326   1HG2  VAL  21          1HG2      VAL  21   0.912   3.531   3.128
 2327   2HG2  VAL  21          3HG2      VAL  21   0.654   5.041   4.003
 2328   3HG2  VAL  21          2HG2      VAL  21  -0.711   3.982   3.651
 2329    H    CYS  22           H        CYS  22   1.698   4.206  -0.326
 2330    HA   CYS  22           HA       CYS  22   2.320   1.355  -0.077
 2331   1HB   CYS  22          2HB       CYS  22   3.229   3.530  -1.937
 2332   2HB   CYS  22          1HB       CYS  22   4.231   2.113  -1.721
 2333    H    LEU  23           H        LEU  23   3.973   0.634   1.153
 2334    HA   LEU  23           HA       LEU  23   5.450   2.638   2.695
 2335   1HB   LEU  23          2HB       LEU  23   5.364  -0.324   3.216
 2336   2HB   LEU  23          1HB       LEU  23   5.831   0.954   4.322
 2337    HG   LEU  23           HG       LEU  23   3.044   0.953   3.262
 2338   1HD1  LEU  23          2HD1      LEU  23   4.189  -1.259   4.680
 2339   2HD1  LEU  23          1HD1      LEU  23   2.989  -0.454   5.691
 2340   3HD1  LEU  23          3HD1      LEU  23   2.543  -1.042   4.089
 2341   1HD2  LEU  23          1HD2      LEU  23   4.260   2.663   4.847
 2342   2HD2  LEU  23          3HD2      LEU  23   2.574   2.215   5.113
 2343   3HD2  LEU  23          2HD2      LEU  23   3.848   1.472   6.080
 2344    H    GLU  24           H        GLU  24   7.659   2.669   2.854
 2345    HA   GLU  24           HA       GLU  24   9.165   2.057   0.610
 2346   1HB   GLU  24          2HB       GLU  24  11.156   2.367   2.181
 2347   2HB   GLU  24          1HB       GLU  24  10.028   3.708   2.038
 2348   1HG   GLU  24          2HG       GLU  24   9.065   2.148   4.145
 2349   2HG   GLU  24          1HG       GLU  24  10.814   2.214   4.361
 2350    H    HIS  25           H        HIS  25   8.932   0.248   3.668
 2351    HA   HIS  25           HA       HIS  25  10.822  -1.710   3.098
 2352   1HB   HIS  25          2HB       HIS  25   9.075  -3.172   4.541
 2353   2HB   HIS  25          1HB       HIS  25  10.186  -2.011   5.255
 2354    HD1  HIS  25          1HD       HIS  25   9.162   0.263   6.049
 2355    HD2  HIS  25          2HD       HIS  25   6.386  -2.543   4.750
 2356    HE1  HIS  25          1HE       HIS  25   6.936   1.084   6.881
 2357    HE2  HIS  25          2HE       HIS  25   5.297  -0.705   6.207
 2358    H    GLY  26           H        GLY  26   7.664  -1.240   1.802
 2359   1HA   GLY  26          1HA       GLY  26   8.025  -3.700   0.220
 2360   2HA   GLY  26          2HA       GLY  26   7.222  -2.247  -0.350
 2361    H    TYR  27           H        TYR  27   5.251  -1.617   1.060
 2362    HA   TYR  27           HA       TYR  27   3.425  -3.800   0.929
 2363   1HB   TYR  27          2HB       TYR  27   4.405  -2.895   3.612
 2364   2HB   TYR  27          1HB       TYR  27   2.760  -3.487   3.431
 2365    HD1  TYR  27          1HD       TYR  27   2.883  -5.747   1.732
 2366    HD2  TYR  27          2HD       TYR  27   5.753  -4.471   4.602
 2367    HE1  TYR  27          1HE       TYR  27   3.697  -8.059   1.939
 2368    HE2  TYR  27          2HE       TYR  27   6.575  -6.778   4.815
 2369    HH   TYR  27           HH       TYR  27   6.431  -8.961   2.969
 2370    H    CYS  28           H        CYS  28   1.305  -3.130   0.889
 2371    HA   CYS  28           HA       CYS  28   0.908  -0.225   0.849
 2372   1HB   CYS  28          2HB       CYS  28  -0.142  -2.454  -0.689
 2373   2HB   CYS  28          1HB       CYS  28  -1.441  -1.454  -0.050
 2374    H    GLY  29           H        GLY  29   0.152   0.643   2.668
 2375   1HA   GLY  29          1HA       GLY  29  -0.643   0.367   4.929
 2376   2HA   GLY  29          2HA       GLY  29  -1.624  -0.979   4.371
 2377    H1   ARG   1          2HT       ARG   1  -9.921   4.587   3.848
 2378    H2   ARG   1          1HT       ARG   1  -8.484   5.345   4.400
 2379    H3   ARG   1          3HT       ARG   1  -8.483   4.488   2.916
 2380    HA   ARG   1           HA       ARG   1  -7.455   3.102   4.415
 2381   1HB   ARG   1          2HB       ARG   1  -9.757   3.782   6.256
 2382   2HB   ARG   1          1HB       ARG   1  -8.515   2.590   6.612
 2383   1HG   ARG   1          2HG       ARG   1  -7.512   4.290   7.664
 2384   2HG   ARG   1          1HG       ARG   1  -6.993   4.757   6.044
 2385   1HD   ARG   1          2HD       ARG   1  -8.352   6.552   5.989
 2386   2HD   ARG   1          1HD       ARG   1  -9.664   5.707   6.810
 2387    HE   ARG   1           HE       ARG   1  -7.650   7.365   8.010
 2388   1HH1  ARG   1          1HH1      ARG   1  -9.884   4.741   8.562
 2389   2HH1  ARG   1          2HH1      ARG   1  -9.983   5.018  10.267
 2390   1HH2  ARG   1          1HH2      ARG   1  -7.780   7.731  10.255
 2391   2HH2  ARG   1          2HH2      ARG   1  -8.789   6.715  11.229
 2392    H    VAL   2           H        VAL   2  -9.722   3.030   2.383
 2393    HA   VAL   2           HA       VAL   2 -10.846   0.405   3.099
 2394    HB   VAL   2           HB       VAL   2 -12.489   0.901   1.222
 2395   1HG1  VAL   2          1HG1      VAL   2 -12.364   2.138   3.896
 2396   2HG1  VAL   2          3HG1      VAL   2 -13.578   2.791   2.796
 2397   3HG1  VAL   2          2HG1      VAL   2 -13.581   1.073   3.191
 2398   1HG2  VAL   2          2HG2      VAL   2 -11.187   2.700   0.169
 2399   2HG2  VAL   2          1HG2      VAL   2 -12.812   3.228   0.604
 2400   3HG2  VAL   2          3HG2      VAL   2 -11.434   3.702   1.598
 2401    H    CYS   3           H        CYS   3  -8.639  -0.375   2.420
 2402    HA   CYS   3           HA       CYS   3  -8.630  -0.854  -0.483
 2403   1HB   CYS   3          2HB       CYS   3  -6.246  -0.730  -0.554
 2404   2HB   CYS   3          1HB       CYS   3  -6.810   0.710   0.284
 2405    HA   PRO   4           HA       PRO   4  -9.096  -5.160   0.539
 2406   1HB   PRO   4          2HB       PRO   4  -7.309  -5.426  -1.846
 2407   2HB   PRO   4          1HB       PRO   4  -8.803  -6.288  -1.461
 2408   1HG   PRO   4          2HG       PRO   4  -8.817  -4.319  -3.240
 2409   2HG   PRO   4          1HG       PRO   4 -10.150  -4.499  -2.086
 2410   1HD   PRO   4          2HD       PRO   4  -7.931  -2.514  -2.120
 2411   2HD   PRO   4          1HD       PRO   4  -9.603  -2.332  -1.553
 2412    H    ARG   5           H        ARG   5  -7.896  -6.803   1.482
 2413    HA   ARG   5           HA       ARG   5  -5.331  -6.038   2.521
 2414   1HB   ARG   5          2HB       ARG   5  -7.063  -8.481   2.844
 2415   2HB   ARG   5          1HB       ARG   5  -5.453  -8.386   3.544
 2416   1HG   ARG   5          2HG       ARG   5  -6.497  -7.552   5.330
 2417   2HG   ARG   5          1HG       ARG   5  -6.562  -6.052   4.403
 2418   1HD   ARG   5          2HD       ARG   5  -8.765  -6.874   3.475
 2419   2HD   ARG   5          1HD       ARG   5  -8.702  -8.146   4.693
 2420    HE   ARG   5           HE       ARG   5  -8.390  -5.496   5.764
 2421   1HH1  ARG   5          1HH1      ARG   5 -10.686  -7.950   4.820
 2422   2HH1  ARG   5          2HH1      ARG   5 -11.939  -7.353   5.857
 2423   1HH2  ARG   5          1HH2      ARG   5 -10.037  -4.710   7.128
 2424   2HH2  ARG   5          2HH2      ARG   5 -11.570  -5.514   7.166
 2425    H    ILE   6           H        ILE   6  -4.194  -5.878   0.483
 2426    HA   ILE   6           HA       ILE   6  -3.161  -8.491  -0.379
 2427    HB   ILE   6           HB       ILE   6  -3.688  -6.216  -2.287
 2428   1HG1  ILE   6          2HG1      ILE   6  -5.265  -8.781  -2.113
 2429   2HG1  ILE   6          1HG1      ILE   6  -5.761  -7.318  -1.269
 2430   1HG2  ILE   6          2HG2      ILE   6  -1.926  -8.224  -2.562
 2431   2HG2  ILE   6          1HG2      ILE   6  -3.370  -8.995  -3.217
 2432   3HG2  ILE   6          3HG2      ILE   6  -2.783  -7.486  -3.916
 2433   1HD1  ILE   6          3HD1      ILE   6  -5.278  -7.379  -4.227
 2434   2HD1  ILE   6          2HD1      ILE   6  -6.840  -7.765  -3.505
 2435   3HD1  ILE   6          1HD1      ILE   6  -6.136  -6.164  -3.279
 2436    H    LEU   7           H        LEU   7  -1.056  -8.577  -0.005
 2437    HA   LEU   7           HA       LEU   7   0.538  -6.428   0.776
 2438   1HB   LEU   7          2HB       LEU   7   1.372  -9.061  -0.441
 2439   2HB   LEU   7          1HB       LEU   7   2.454  -7.947   0.373
 2440    HG   LEU   7           HG       LEU   7   0.071  -9.145   1.766
 2441   1HD1  LEU   7          3HD1      LEU   7   1.896 -10.770   0.748
 2442   2HD1  LEU   7          2HD1      LEU   7   2.787 -10.263   2.184
 2443   3HD1  LEU   7          1HD1      LEU   7   1.207 -11.028   2.350
 2444   1HD2  LEU   7          3HD2      LEU   7   1.748  -7.113   2.485
 2445   2HD2  LEU   7          2HD2      LEU   7   0.836  -8.122   3.606
 2446   3HD2  LEU   7          1HD2      LEU   7   2.517  -8.509   3.240
 2447    H    LEU   8           H        LEU   8   1.937  -5.068  -0.269
 2448    HA   LEU   8           HA       LEU   8   2.629  -5.404  -3.028
 2449   1HB   LEU   8          2HB       LEU   8   0.178  -4.322  -2.710
 2450   2HB   LEU   8          1HB       LEU   8   1.157  -2.869  -2.639
 2451    HG   LEU   8           HG       LEU   8   1.782  -4.674  -4.882
 2452   1HD1  LEU   8          3HD1      LEU   8  -0.915  -3.424  -4.537
 2453   2HD1  LEU   8          2HD1      LEU   8  -0.209  -3.622  -6.141
 2454   3HD1  LEU   8          1HD1      LEU   8  -0.496  -5.034  -5.124
 2455   1HD2  LEU   8          2HD2      LEU   8   2.733  -2.377  -4.436
 2456   2HD2  LEU   8          1HD2      LEU   8   2.082  -2.644  -6.055
 2457   3HD2  LEU   8          3HD2      LEU   8   1.148  -1.734  -4.867
 2458    H    GLU   9           H        GLU   9   4.623  -4.645  -3.199
 2459    HA   GLU   9           HA       GLU   9   5.547  -2.634  -1.279
 2460   1HB   GLU   9          2HB       GLU   9   7.826  -3.338  -2.031
 2461   2HB   GLU   9          1HB       GLU   9   6.882  -4.625  -1.293
 2462   1HG   GLU   9          2HG       GLU   9   6.416  -5.601  -3.417
 2463   2HG   GLU   9          1HG       GLU   9   7.116  -4.222  -4.263
 2464    H    CYS  10           H        CYS  10   6.124  -0.632  -1.864
 2465    HA   CYS  10           HA       CYS  10   6.873  -0.013  -4.585
 2466   1HB   CYS  10          2HB       CYS  10   4.872   1.917  -4.000
 2467   2HB   CYS  10          1HB       CYS  10   4.899   0.742  -5.309
 2468    H    LYS  11           H        LYS  11   7.517   2.275  -4.831
 2469    HA   LYS  11           HA       LYS  11   8.900   3.164  -2.442
 2470   1HB   LYS  11          2HB       LYS  11   8.946   4.506  -5.142
 2471   2HB   LYS  11          1HB       LYS  11  10.155   4.588  -3.868
 2472   1HG   LYS  11          2HG       LYS  11  10.491   2.095  -4.240
 2473   2HG   LYS  11          1HG       LYS  11   9.552   2.307  -5.720
 2474   1HD   LYS  11          2HD       LYS  11  11.153   3.768  -6.647
 2475   2HD   LYS  11          1HD       LYS  11  11.959   3.997  -5.094
 2476   1HE   LYS  11          2HE       LYS  11  13.406   2.474  -5.904
 2477   2HE   LYS  11          1HE       LYS  11  12.182   1.320  -5.375
 2478   1HZ   LYS  11          3HZ       LYS  11  11.859   2.433  -8.047
 2479   2HZ   LYS  11          2HZ       LYS  11  13.148   1.360  -7.831
 2480   3HZ   LYS  11          1HZ       LYS  11  11.569   0.864  -7.485
 2481    H    LYS  12           H        LYS  12   6.888   4.804  -4.894
 2482    HA   LYS  12           HA       LYS  12   6.289   6.952  -3.059
 2483   1HB   LYS  12          2HB       LYS  12   6.622   7.345  -5.488
 2484   2HB   LYS  12          1HB       LYS  12   5.173   6.405  -5.816
 2485   1HG   LYS  12          2HG       LYS  12   3.766   8.031  -4.966
 2486   2HG   LYS  12          1HG       LYS  12   5.045   8.780  -4.008
 2487   1HD   LYS  12          2HD       LYS  12   4.958   8.788  -7.023
 2488   2HD   LYS  12          1HD       LYS  12   4.353  10.101  -6.010
 2489   1HE   LYS  12          2HE       LYS  12   7.058   9.284  -5.308
 2490   2HE   LYS  12          1HE       LYS  12   6.924   9.838  -6.975
 2491   1HZ   LYS  12          3HZ       LYS  12   5.836  11.387  -4.699
 2492   2HZ   LYS  12          2HZ       LYS  12   7.423  11.584  -5.250
 2493   3HZ   LYS  12          1HZ       LYS  12   6.123  11.918  -6.280
 2494    H    ASP  13           H        ASP  13   4.555   7.097  -1.767
 2495    HA   ASP  13           HA       ASP  13   2.885   4.962  -1.251
 2496   1HB   ASP  13          2HB       ASP  13   2.186   7.852  -0.741
 2497   2HB   ASP  13          1HB       ASP  13   1.558   6.449   0.107
 2498    H    SER  14           H        SER  14   2.466   7.593  -3.502
 2499    HA   SER  14           HA       SER  14  -0.231   7.342  -4.100
 2500   1HB   SER  14          2HB       SER  14   1.231   9.150  -4.957
 2501   2HB   SER  14          1HB       SER  14   2.005   7.990  -6.038
 2502    H    ASP  15           H        ASP  15   2.501   5.399  -5.121
 2503    HA   ASP  15           HA       ASP  15   1.467   4.044  -7.283
 2504   1HB   ASP  15          2HB       ASP  15   3.760   3.869  -5.838
 2505   2HB   ASP  15          1HB       ASP  15   2.973   2.362  -5.382
 2506    H    CYS  16           H        CYS  16   0.785   3.542  -3.871
 2507    HA   CYS  16           HA       CYS  16  -0.335   1.044  -3.867
 2508   1HB   CYS  16          2HB       CYS  16  -0.098   2.866  -1.975
 2509   2HB   CYS  16          1HB       CYS  16  -1.768   3.186  -2.354
 2510    H    LEU  17           H        LEU  17  -2.756   0.619  -3.515
 2511    HA   LEU  17           HA       LEU  17  -4.202   1.775  -5.806
 2512   1HB   LEU  17          2HB       LEU  17  -5.466  -0.361  -5.857
 2513   2HB   LEU  17          1HB       LEU  17  -3.755  -0.539  -6.195
 2514    HG   LEU  17           HG       LEU  17  -4.370  -0.902  -3.368
 2515   1HD1  LEU  17          2HD1      LEU  17  -5.756  -2.600  -5.417
 2516   2HD1  LEU  17          1HD1      LEU  17  -5.345  -3.214  -3.815
 2517   3HD1  LEU  17          3HD1      LEU  17  -6.429  -1.833  -3.978
 2518   1HD2  LEU  17          1HD2      LEU  17  -2.780  -2.195  -5.516
 2519   2HD2  LEU  17          3HD2      LEU  17  -2.293  -1.669  -3.904
 2520   3HD2  LEU  17          2HD2      LEU  17  -3.206  -3.164  -4.106
 2521    H    ALA  18           H        ALA  18  -6.654   1.505  -5.572
 2522    HA   ALA  18           HA       ALA  18  -8.528   2.316  -4.565
 2523   1HB   ALA  18          1HB       ALA  18  -8.333   0.073  -3.543
 2524   2HB   ALA  18          2HB       ALA  18  -9.141   1.237  -2.493
 2525   3HB   ALA  18           3HB      ALA  18  -7.462   0.793  -2.189
 2526    H    GLU  19           H        GLU  19  -8.007   2.517  -1.336
 2527    HA   GLU  19           HA       GLU  19  -6.981   5.270  -1.513
 2528   1HB   GLU  19          2HB       GLU  19  -9.502   4.272  -0.458
 2529   2HB   GLU  19          1HB       GLU  19  -8.607   5.184   0.750
 2530   1HG   GLU  19          2HG       GLU  19  -8.751   6.420  -1.911
 2531   2HG   GLU  19          1HG       GLU  19 -10.283   6.279  -1.049
 2532    H    CYS  20           H        CYS  20  -5.069   3.547  -1.121
 2533    HA   CYS  20           HA       CYS  20  -4.529   3.695   1.761
 2534   1HB   CYS  20          2HB       CYS  20  -4.573   1.319   0.036
 2535   2HB   CYS  20          1HB       CYS  20  -3.090   1.489   0.968
 2536    H    VAL  21           H        VAL  21  -1.950   2.849   1.820
 2537    HA   VAL  21           HA       VAL  21  -0.583   4.544  -0.155
 2538    HB   VAL  21           HB       VAL  21   0.899   5.439   1.534
 2539   1HG1  VAL  21          3HG1      VAL  21  -2.042   5.735   2.066
 2540   2HG1  VAL  21          2HG1      VAL  21  -0.834   6.683   2.932
 2541   3HG1  VAL  21          1HG1      VAL  21  -0.966   6.814   1.179
 2542   1HG2  VAL  21          1HG2      VAL  21   0.916   3.515   3.056
 2543   2HG2  VAL  21          3HG2      VAL  21   0.564   5.014   3.915
 2544   3HG2  VAL  21          2HG2      VAL  21  -0.739   3.886   3.541
 2545    H    CYS  22           H        CYS  22   1.687   4.139  -0.355
 2546    HA   CYS  22           HA       CYS  22   2.314   1.289  -0.117
 2547   1HB   CYS  22          2HB       CYS  22   3.247   3.486  -1.936
 2548   2HB   CYS  22          1HB       CYS  22   4.263   2.080  -1.705
 2549    H    LEU  23           H        LEU  23   3.976   0.559   1.107
 2550    HA   LEU  23           HA       LEU  23   5.363   2.546   2.749
 2551   1HB   LEU  23          2HB       LEU  23   5.307  -0.434   3.162
 2552   2HB   LEU  23          1HB       LEU  23   5.761   0.802   4.320
 2553    HG   LEU  23           HG       LEU  23   2.985   0.838   3.232
 2554   1HD1  LEU  23          1HD1      LEU  23   4.115  -1.427   4.573
 2555   2HD1  LEU  23          3HD1      LEU  23   2.911  -0.660   5.607
 2556   3HD1  LEU  23          2HD1      LEU  23   2.472  -1.183   3.981
 2557   1HD2  LEU  23          1HD2      LEU  23   4.121   2.522   4.852
 2558   2HD2  LEU  23          3HD2      LEU  23   2.478   1.972   5.178
 2559   3HD2  LEU  23          2HD2      LEU  23   3.834   1.273   6.064
 2560    H    GLU  24           H        GLU  24   7.565   2.616   2.981
 2561    HA   GLU  24           HA       GLU  24   9.149   2.115   0.758
 2562   1HB   GLU  24          2HB       GLU  24  11.069   2.598   2.232
 2563   2HB   GLU  24          1HB       GLU  24   9.764   3.760   2.427
 2564   1HG   GLU  24          2HG       GLU  24   9.017   2.415   4.420
 2565   2HG   GLU  24          1HG       GLU  24  10.531   1.521   4.275
 2566    H    HIS  25           H        HIS  25   8.934   0.245   3.786
 2567    HA   HIS  25           HA       HIS  25  10.879  -1.649   3.225
 2568   1HB   HIS  25          2HB       HIS  25   9.149  -3.199   4.582
 2569   2HB   HIS  25          1HB       HIS  25  10.178  -2.003   5.356
 2570    HD1  HIS  25          1HD       HIS  25   9.024   0.207   6.150
 2571    HD2  HIS  25          2HD       HIS  25   6.427  -2.695   4.699
 2572    HE1  HIS  25          1HE       HIS  25   6.736   0.912   6.913
 2573    HE2  HIS  25          2HE       HIS  25   5.203  -0.932   6.144
 2574    H    GLY  26           H        GLY  26   7.718  -1.272   1.883
 2575   1HA   GLY  26          1HA       GLY  26   8.206  -3.675   0.246
 2576   2HA   GLY  26          2HA       GLY  26   7.383  -2.231  -0.319
 2577    H    TYR  27           H        TYR  27   5.375  -1.676   1.101
 2578    HA   TYR  27           HA       TYR  27   3.584  -3.876   0.840
 2579   1HB   TYR  27          2HB       TYR  27   4.508  -3.081   3.577
 2580   2HB   TYR  27          1HB       TYR  27   2.872  -3.680   3.341
 2581    HD1  TYR  27          1HD       TYR  27   3.291  -5.785   1.323
 2582    HD2  TYR  27          2HD       TYR  27   5.611  -4.762   4.740
 2583    HE1  TYR  27          1HE       TYR  27   4.127  -8.095   1.440
 2584    HE2  TYR  27          2HE       TYR  27   6.452  -7.070   4.866
 2585    HH   TYR  27           HH       TYR  27   6.709  -9.046   2.895
 2586    H    CYS  28           H        CYS  28   1.433  -3.234   0.858
 2587    HA   CYS  28           HA       CYS  28   1.022  -0.330   0.885
 2588   1HB   CYS  28          2HB       CYS  28  -0.038  -2.532  -0.687
 2589   2HB   CYS  28          1HB       CYS  28  -1.330  -1.542  -0.019
 2590    H    GLY  29           H        GLY  29   0.195   0.541   2.665
 2591   1HA   GLY  29          1HA       GLY  29  -0.540  -0.324   4.995
 2592   2HA   GLY  29          2HA       GLY  29  -1.927  -0.912   4.089
 2593    H1   ARG   1          3HT       ARG   1 -11.353   3.599   0.929
 2594    H2   ARG   1          2HT       ARG   1 -12.638   3.745   2.058
 2595    H3   ARG   1          1HT       ARG   1 -11.905   5.151   1.402
 2596    HA   ARG   1           HA       ARG   1  -9.968   4.845   2.561
 2597   1HB   ARG   1          2HB       ARG   1 -12.535   4.493   3.992
 2598   2HB   ARG   1          1HB       ARG   1 -11.089   4.160   4.934
 2599   1HG   ARG   1          2HG       ARG   1 -10.582   6.563   3.590
 2600   2HG   ARG   1          1HG       ARG   1 -12.239   6.678   4.186
 2601   1HD   ARG   1          2HD       ARG   1 -11.179   5.739   6.393
 2602   2HD   ARG   1          1HD       ARG   1  -9.686   6.375   5.703
 2603    HE   ARG   1           HE       ARG   1 -11.856   8.260   5.706
 2604   1HH1  ARG   1          1HH1      ARG   1  -9.218   6.931   7.564
 2605   2HH1  ARG   1          2HH1      ARG   1  -9.065   8.326   8.577
 2606   1HH2  ARG   1          1HH2      ARG   1 -11.655  10.096   7.037
 2607   2HH2  ARG   1          2HH2      ARG   1 -10.448  10.124   8.279
 2608    H    VAL   2           H        VAL   2 -12.029   1.976   2.896
 2609    HA   VAL   2           HA       VAL   2  -9.886   0.407   4.025
 2610    HB   VAL   2           HB       VAL   2 -12.218   0.013   4.707
 2611   1HG1  VAL   2          3HG1      VAL   2 -12.906   0.334   2.135
 2612   2HG1  VAL   2          2HG1      VAL   2 -12.875  -1.428   2.215
 2613   3HG1  VAL   2          1HG1      VAL   2 -13.914  -0.514   3.308
 2614   1HG2  VAL   2          3HG2      VAL   2 -10.723  -2.231   3.383
 2615   2HG2  VAL   2          2HG2      VAL   2 -10.787  -1.809   5.094
 2616   3HG2  VAL   2          1HG2      VAL   2 -12.203  -2.505   4.304
 2617    H    CYS   3           H        CYS   3  -8.294  -0.330   2.791
 2618    HA   CYS   3           HA       CYS   3  -8.838  -0.971  -0.017
 2619   1HB   CYS   3          2HB       CYS   3  -6.490  -0.753  -0.419
 2620   2HB   CYS   3          1HB       CYS   3  -6.977   0.621   0.566
 2621    HA   PRO   4           HA       PRO   4  -9.082  -5.353   0.707
 2622   1HB   PRO   4          2HB       PRO   4  -7.397  -5.325  -1.772
 2623   2HB   PRO   4          1HB       PRO   4  -8.791  -6.337  -1.376
 2624   1HG   PRO   4          2HG       PRO   4  -9.055  -4.232  -2.987
 2625   2HG   PRO   4          1HG       PRO   4 -10.313  -4.642  -1.806
 2626   1HD   PRO   4          2HD       PRO   4  -8.360  -2.413  -1.785
 2627   2HD   PRO   4          1HD       PRO   4  -9.963  -2.520  -1.031
 2628    H    ARG   5           H        ARG   5  -7.861  -6.689   1.901
 2629    HA   ARG   5           HA       ARG   5  -5.241  -5.981   2.688
 2630   1HB   ARG   5          2HB       ARG   5  -5.238  -8.176   3.849
 2631   2HB   ARG   5          1HB       ARG   5  -6.671  -7.217   4.192
 2632   1HG   ARG   5          2HG       ARG   5  -7.499  -8.687   2.057
 2633   2HG   ARG   5          1HG       ARG   5  -6.411  -9.814   2.871
 2634   1HD   ARG   5          2HD       ARG   5  -8.238  -8.364   4.652
 2635   2HD   ARG   5          1HD       ARG   5  -9.032  -9.442   3.505
 2636    HE   ARG   5           HE       ARG   5  -6.834 -10.681   4.858
 2637   1HH1  ARG   5          1HH1      ARG   5 -10.217  -9.867   5.113
 2638   2HH1  ARG   5          2HH1      ARG   5 -10.566 -11.134   6.239
 2639   1HH2  ARG   5          1HH2      ARG   5  -7.290 -12.350   6.339
 2640   2HH2  ARG   5          2HH2      ARG   5  -8.905 -12.544   6.937
 2641    H    ILE   6           H        ILE   6  -4.209  -5.793   0.599
 2642    HA   ILE   6           HA       ILE   6  -3.234  -8.394  -0.379
 2643    HB   ILE   6           HB       ILE   6  -3.685  -5.987  -2.141
 2644   1HG1  ILE   6          2HG1      ILE   6  -5.374  -8.491  -1.983
 2645   2HG1  ILE   6          1HG1      ILE   6  -5.814  -6.961  -1.229
 2646   1HG2  ILE   6          2HG2      ILE   6  -2.008  -8.047  -2.553
 2647   2HG2  ILE   6          1HG2      ILE   6  -3.490  -8.717  -3.237
 2648   3HG2  ILE   6          3HG2      ILE   6  -2.844  -7.195  -3.851
 2649   1HD1  ILE   6          3HD1      ILE   6  -5.223  -7.086  -4.152
 2650   2HD1  ILE   6          2HD1      ILE   6  -6.800  -7.569  -3.528
 2651   3HD1  ILE   6          1HD1      ILE   6  -6.209  -5.931  -3.256
 2652    H    LEU   7           H        LEU   7  -1.081  -8.593  -0.481
 2653    HA   LEU   7           HA       LEU   7   0.595  -6.550   0.563
 2654   1HB   LEU   7          2HB       LEU   7   1.240  -9.163  -0.801
 2655   2HB   LEU   7          1HB       LEU   7   2.447  -8.117  -0.082
 2656    HG   LEU   7           HG       LEU   7   2.041  -9.807   1.508
 2657   1HD1  LEU   7          3HD1      LEU   7   1.629  -7.184   2.121
 2658   2HD1  LEU   7          2HD1      LEU   7   0.178  -7.941   2.777
 2659   3HD1  LEU   7          1HD1      LEU   7   1.770  -8.490   3.297
 2660   1HD2  LEU   7          2HD2      LEU   7  -0.256 -10.312   0.326
 2661   2HD2  LEU   7          1HD2      LEU   7   0.033 -10.783   2.001
 2662   3HD2  LEU   7          3HD2      LEU   7  -0.891  -9.324   1.642
 2663    H    LEU   8           H        LEU   8   1.931  -5.122  -0.433
 2664    HA   LEU   8           HA       LEU   8   2.598  -5.310  -3.212
 2665   1HB   LEU   8          2HB       LEU   8   0.145  -4.292  -2.872
 2666   2HB   LEU   8          1HB       LEU   8   1.078  -2.826  -2.636
 2667    HG   LEU   8           HG       LEU   8   1.687  -4.467  -5.041
 2668   1HD1  LEU   8          2HD1      LEU   8  -0.922  -4.026  -4.576
 2669   2HD1  LEU   8          1HD1      LEU   8  -0.491  -2.505  -5.359
 2670   3HD1  LEU   8          3HD1      LEU   8  -0.206  -4.035  -6.188
 2671   1HD2  LEU   8          2HD2      LEU   8   2.908  -2.378  -4.393
 2672   2HD2  LEU   8          1HD2      LEU   8   2.189  -2.346  -6.003
 2673   3HD2  LEU   8          3HD2      LEU   8   1.411  -1.490  -4.673
 2674    H    GLU   9           H        GLU   9   4.614  -4.605  -3.275
 2675    HA   GLU   9           HA       GLU   9   5.501  -2.624  -1.309
 2676   1HB   GLU   9          2HB       GLU   9   7.792  -3.338  -1.992
 2677   2HB   GLU   9          1HB       GLU   9   6.814  -4.637  -1.321
 2678   1HG   GLU   9          2HG       GLU   9   6.915  -5.828  -3.197
 2679   2HG   GLU   9          1HG       GLU   9   6.581  -4.426  -4.212
 2680    H    CYS  10           H        CYS  10   6.115  -0.624  -1.853
 2681    HA   CYS  10           HA       CYS  10   6.920   0.024  -4.553
 2682   1HB   CYS  10          2HB       CYS  10   4.935   1.974  -3.931
 2683   2HB   CYS  10          1HB       CYS  10   4.979   0.855  -5.287
 2684    H    LYS  11           H        LYS  11   7.668   2.264  -4.749
 2685    HA   LYS  11           HA       LYS  11   8.987   3.099  -2.306
 2686   1HB   LYS  11          2HB       LYS  11   9.286   3.682  -5.207
 2687   2HB   LYS  11          1HB       LYS  11   9.822   4.920  -4.078
 2688   1HG   LYS  11          2HG       LYS  11  11.727   3.644  -4.512
 2689   2HG   LYS  11          1HG       LYS  11  11.157   3.073  -2.941
 2690   1HD   LYS  11          2HD       LYS  11  11.326   1.025  -3.841
 2691   2HD   LYS  11          1HD       LYS  11   9.821   1.427  -4.670
 2692   1HE   LYS  11          2HE       LYS  11  11.277   0.645  -6.347
 2693   2HE   LYS  11          1HE       LYS  11  11.263   2.400  -6.514
 2694   1HZ   LYS  11          1HZ       LYS  11  13.326   1.144  -4.843
 2695   2HZ   LYS  11          3HZ       LYS  11  13.496   1.095  -6.526
 2696   3HZ   LYS  11          2HZ       LYS  11  13.391   2.584  -5.729
 2697    H    LYS  12           H        LYS  12   6.889   4.616  -4.757
 2698    HA   LYS  12           HA       LYS  12   6.377   6.860  -2.975
 2699   1HB   LYS  12          2HB       LYS  12   6.756   7.155  -5.444
 2700   2HB   LYS  12          1HB       LYS  12   5.222   6.340  -5.718
 2701   1HG   LYS  12          2HG       LYS  12   4.063   8.190  -5.316
 2702   2HG   LYS  12          1HG       LYS  12   4.955   8.515  -3.829
 2703   1HD   LYS  12          2HD       LYS  12   6.541   9.803  -4.903
 2704   2HD   LYS  12          1HD       LYS  12   6.264   9.026  -6.463
 2705   1HE   LYS  12          2HE       LYS  12   4.625  10.457  -7.020
 2706   2HE   LYS  12          1HE       LYS  12   3.936  10.449  -5.398
 2707   1HZ   LYS  12          3HZ       LYS  12   6.486  11.810  -5.686
 2708   2HZ   LYS  12          2HZ       LYS  12   5.173  12.547  -6.458
 2709   3HZ   LYS  12          1HZ       LYS  12   5.117  12.250  -4.793
 2710    H    ASP  13           H        ASP  13   4.574   7.116  -1.783
 2711    HA   ASP  13           HA       ASP  13   2.874   4.986  -1.254
 2712   1HB   ASP  13          2HB       ASP  13   2.225   7.893  -0.778
 2713   2HB   ASP  13          1HB       ASP  13   1.556   6.510   0.071
 2714    H    SER  14           H        SER  14   2.552   7.614  -3.526
 2715    HA   SER  14           HA       SER  14  -0.140   7.399  -4.171
 2716   1HB   SER  14          2HB       SER  14   0.329   8.739  -5.995
 2717   2HB   SER  14          1HB       SER  14   1.756   9.042  -5.007
 2718    H    ASP  15           H        ASP  15   2.591   5.431  -5.140
 2719    HA   ASP  15           HA       ASP  15   1.593   4.088  -7.323
 2720   1HB   ASP  15          2HB       ASP  15   3.838   3.873  -5.787
 2721   2HB   ASP  15          1HB       ASP  15   3.016   2.362  -5.411
 2722    H    CYS  16           H        CYS  16   0.816   3.593  -3.927
 2723    HA   CYS  16           HA       CYS  16  -0.350   1.113  -3.973
 2724   1HB   CYS  16          2HB       CYS  16  -0.120   2.924  -2.058
 2725   2HB   CYS  16          1HB       CYS  16  -1.781   3.254  -2.464
 2726    H    LEU  17           H        LEU  17  -2.794   0.751  -3.667
 2727    HA   LEU  17           HA       LEU  17  -4.193   2.036  -5.922
 2728   1HB   LEU  17          2HB       LEU  17  -5.338  -0.053  -6.336
 2729   2HB   LEU  17          1HB       LEU  17  -3.602  -0.296  -6.390
 2730    HG   LEU  17           HG       LEU  17  -4.569  -0.811  -3.728
 2731   1HD1  LEU  17          2HD1      LEU  17  -6.057  -2.096  -5.985
 2732   2HD1  LEU  17          1HD1      LEU  17  -5.793  -2.955  -4.467
 2733   3HD1  LEU  17          3HD1      LEU  17  -6.677  -1.429  -4.475
 2734   1HD2  LEU  17          1HD2      LEU  17  -2.458  -1.599  -4.822
 2735   2HD2  LEU  17          3HD2      LEU  17  -3.383  -2.856  -4.002
 2736   3HD2  LEU  17          2HD2      LEU  17  -3.440  -2.724  -5.760
 2737    H    ALA  18           H        ALA  18  -6.648   1.705  -5.746
 2738    HA   ALA  18           HA       ALA  18  -8.555   2.354  -4.687
 2739   1HB   ALA  18          1HB       ALA  18  -8.300   0.068  -3.804
 2740   2HB   ALA  18          2HB       ALA  18  -9.111   1.141  -2.664
 2741   3HB   ALA  18           3HB      ALA  18  -7.417   0.717  -2.422
 2742    H    GLU  19           H        GLU  19  -8.026   2.383  -1.451
 2743    HA   GLU  19           HA       GLU  19  -7.111   5.180  -1.473
 2744   1HB   GLU  19          2HB       GLU  19  -9.643   4.423  -0.874
 2745   2HB   GLU  19          1HB       GLU  19  -8.905   4.328   0.718
 2746   1HG   GLU  19          2HG       GLU  19  -8.453   6.770  -0.916
 2747   2HG   GLU  19          1HG       GLU  19 -10.023   6.538  -0.149
 2748    H    CYS  20           H        CYS  20  -5.118   3.508  -1.203
 2749    HA   CYS  20           HA       CYS  20  -4.525   3.572   1.669
 2750   1HB   CYS  20          2HB       CYS  20  -4.682   1.216  -0.040
 2751   2HB   CYS  20          1HB       CYS  20  -3.100   1.377   0.716
 2752    H    VAL  21           H        VAL  21  -1.988   2.906   1.799
 2753    HA   VAL  21           HA       VAL  21  -0.634   4.533  -0.245
 2754    HB   VAL  21           HB       VAL  21   0.845   5.470   1.429
 2755   1HG1  VAL  21          3HG1      VAL  21  -2.099   5.760   1.951
 2756   2HG1  VAL  21          2HG1      VAL  21  -0.895   6.738   2.790
 2757   3HG1  VAL  21          1HG1      VAL  21  -1.032   6.823   1.034
 2758   1HG2  VAL  21          2HG2      VAL  21  -0.481   3.484   3.174
 2759   2HG2  VAL  21          1HG2      VAL  21   1.176   4.086   3.193
 2760   3HG2  VAL  21          3HG2      VAL  21  -0.120   5.050   3.901
 2761    H    CYS  22           H        CYS  22   1.663   4.157  -0.398
 2762    HA   CYS  22           HA       CYS  22   2.302   1.311  -0.146
 2763   1HB   CYS  22          2HB       CYS  22   3.268   3.515  -1.942
 2764   2HB   CYS  22          1HB       CYS  22   4.270   2.100  -1.702
 2765    H    LEU  23           H        LEU  23   3.917   0.590   1.132
 2766    HA   LEU  23           HA       LEU  23   5.295   2.587   2.770
 2767   1HB   LEU  23          2HB       LEU  23   5.202  -0.385   3.237
 2768   2HB   LEU  23          1HB       LEU  23   5.635   0.872   4.382
 2769    HG   LEU  23           HG       LEU  23   2.888   0.907   3.221
 2770   1HD1  LEU  23          2HD1      LEU  23   3.465  -1.457   3.969
 2771   2HD1  LEU  23          1HD1      LEU  23   3.545  -0.797   5.602
 2772   3HD1  LEU  23          3HD1      LEU  23   2.039  -0.708   4.688
 2773   1HD2  LEU  23          1HD2      LEU  23   3.784   2.696   4.717
 2774   2HD2  LEU  23          3HD2      LEU  23   2.324   1.906   5.314
 2775   3HD2  LEU  23          2HD2      LEU  23   3.896   1.490   5.999
 2776    H    GLU  24           H        GLU  24   7.487   2.638   3.044
 2777    HA   GLU  24           HA       GLU  24   9.111   2.119   0.863
 2778   1HB   GLU  24          2HB       GLU  24  11.004   2.582   2.378
 2779   2HB   GLU  24          1HB       GLU  24   9.705   3.756   2.541
 2780   1HG   GLU  24          2HG       GLU  24   8.937   2.145   4.470
 2781   2HG   GLU  24          1HG       GLU  24  10.636   1.674   4.445
 2782    H    HIS  25           H        HIS  25   8.778   0.206   3.856
 2783    HA   HIS  25           HA       HIS  25  10.760  -1.667   3.313
 2784   1HB   HIS  25          2HB       HIS  25   9.434  -3.213   4.794
 2785   2HB   HIS  25          1HB       HIS  25   9.806  -1.644   5.495
 2786    HD1  HIS  25          1HD       HIS  25   7.872  -0.249   6.272
 2787    HD2  HIS  25          2HD       HIS  25   6.681  -3.507   3.988
 2788    HE1  HIS  25          1HE       HIS  25   5.371  -0.348   6.499
 2789    HE2  HIS  25          2HE       HIS  25   4.702  -2.438   5.263
 2790    H    GLY  26           H        GLY  26   7.654  -1.259   1.880
 2791   1HA   GLY  26          1HA       GLY  26   8.156  -3.680   0.275
 2792   2HA   GLY  26          2HA       GLY  26   7.350  -2.235  -0.311
 2793    H    TYR  27           H        TYR  27   5.303  -1.675   1.035
 2794    HA   TYR  27           HA       TYR  27   3.506  -3.850   0.714
 2795   1HB   TYR  27          2HB       TYR  27   4.379  -3.138   3.489
 2796   2HB   TYR  27          1HB       TYR  27   2.737  -3.696   3.207
 2797    HD1  TYR  27          1HD       TYR  27   3.173  -5.755   1.134
 2798    HD2  TYR  27          2HD       TYR  27   5.406  -4.875   4.647
 2799    HE1  TYR  27          1HE       TYR  27   3.957  -8.084   1.213
 2800    HE2  TYR  27          2HE       TYR  27   6.196  -7.201   4.734
 2801    HH   TYR  27           HH       TYR  27   6.471  -9.130   2.712
 2802    H    CYS  28           H        CYS  28   1.351  -3.202   0.739
 2803    HA   CYS  28           HA       CYS  28   0.965  -0.296   0.785
 2804   1HB   CYS  28          2HB       CYS  28  -0.102  -2.479  -0.810
 2805   2HB   CYS  28          1HB       CYS  28  -1.390  -1.482  -0.146
 2806    H    GLY  29           H        GLY  29   0.127   0.572   2.559
 2807   1HA   GLY  29          1HA       GLY  29  -0.948  -0.898   4.698
 2808   2HA   GLY  29          2HA       GLY  29  -2.279  -0.272   3.737
 2809    H1   ARG   1          3HT       ARG   1 -10.745   5.426   1.343
 2810    H2   ARG   1          2HT       ARG   1 -12.266   5.964   0.756
 2811    H3   ARG   1          1HT       ARG   1 -12.145   5.262   2.318
 2812    HA   ARG   1           HA       ARG   1 -13.034   3.627   0.999
 2813   1HB   ARG   1          2HB       ARG   1 -11.297   4.900  -0.994
 2814   2HB   ARG   1          1HB       ARG   1 -11.322   3.145  -1.104
 2815   1HG   ARG   1          2HG       ARG   1 -13.927   4.533  -0.861
 2816   2HG   ARG   1          1HG       ARG   1 -13.058   4.680  -2.389
 2817   1HD   ARG   1          2HD       ARG   1 -13.142   2.393  -2.802
 2818   2HD   ARG   1          1HD       ARG   1 -13.442   2.002  -1.108
 2819    HE   ARG   1           HE       ARG   1 -15.393   2.650  -3.104
 2820   1HH1  ARG   1          1HH1      ARG   1 -14.709   2.707   0.318
 2821   2HH1  ARG   1          2HH1      ARG   1 -16.378   2.685   0.779
 2822   1HH2  ARG   1          1HH2      ARG   1 -17.588   2.624  -2.500
 2823   2HH2  ARG   1          2HH2      ARG   1 -18.013   2.636  -0.821
 2824    H    VAL   2           H        VAL   2 -12.452   1.458   1.174
 2825    HA   VAL   2           HA       VAL   2  -9.986   0.994   2.655
 2826    HB   VAL   2           HB       VAL   2 -10.926  -1.289   3.031
 2827   1HG1  VAL   2          1HG1      VAL   2 -12.168   1.237   3.915
 2828   2HG1  VAL   2          3HG1      VAL   2 -13.085  -0.234   4.242
 2829   3HG1  VAL   2          2HG1      VAL   2 -11.441  -0.064   4.858
 2830   1HG2  VAL   2          1HG2      VAL   2 -12.296  -1.297   0.935
 2831   2HG2  VAL   2          3HG2      VAL   2 -13.158  -1.826   2.379
 2832   3HG2  VAL   2          2HG2      VAL   2 -13.423  -0.205   1.739
 2833    H    CYS   3           H        CYS   3  -8.315  -0.263   1.973
 2834    HA   CYS   3           HA       CYS   3  -8.359  -1.047  -0.848
 2835   1HB   CYS   3          2HB       CYS   3  -5.947  -1.015  -0.765
 2836   2HB   CYS   3          1HB       CYS   3  -6.554   0.478  -0.059
 2837    HA   PRO   4           HA       PRO   4  -8.976  -5.362   0.018
 2838   1HB   PRO   4          2HB       PRO   4  -6.885  -5.559  -2.121
 2839   2HB   PRO   4          1HB       PRO   4  -8.389  -6.470  -1.937
 2840   1HG   PRO   4          2HG       PRO   4  -8.237  -4.448  -3.660
 2841   2HG   PRO   4          1HG       PRO   4  -9.702  -4.716  -2.699
 2842   1HD   PRO   4          2HD       PRO   4  -7.626  -2.614  -2.432
 2843   2HD   PRO   4          1HD       PRO   4  -9.343  -2.571  -1.988
 2844    H    ARG   5           H        ARG   5  -7.933  -7.033   1.082
 2845    HA   ARG   5           HA       ARG   5  -5.496  -6.311   2.446
 2846   1HB   ARG   5          2HB       ARG   5  -7.536  -8.467   2.697
 2847   2HB   ARG   5          1HB       ARG   5  -5.935  -8.776   3.353
 2848   1HG   ARG   5          2HG       ARG   5  -6.803  -7.846   5.201
 2849   2HG   ARG   5          1HG       ARG   5  -6.407  -6.333   4.384
 2850   1HD   ARG   5          2HD       ARG   5  -8.618  -6.031   5.042
 2851   2HD   ARG   5          1HD       ARG   5  -8.754  -6.517   3.353
 2852    HE   ARG   5           HE       ARG   5  -8.951  -8.859   4.704
 2853   1HH1  ARG   5          1HH1      ARG   5 -10.623  -5.805   4.933
 2854   2HH1  ARG   5          2HH1      ARG   5 -12.103  -6.515   5.485
 2855   1HH2  ARG   5          1HH2      ARG   5 -10.896  -9.794   5.429
 2856   2HH2  ARG   5          2HH2      ARG   5 -12.259  -8.780   5.768
 2857    H    ILE   6           H        ILE   6  -4.080  -6.293   0.593
 2858    HA   ILE   6           HA       ILE   6  -2.931  -8.928   0.111
 2859    HB   ILE   6           HB       ILE   6  -3.630  -7.078  -2.174
 2860   1HG1  ILE   6          2HG1      ILE   6  -4.993  -9.239  -2.803
 2861   2HG1  ILE   6          1HG1      ILE   6  -4.931  -9.539  -1.070
 2862   1HG2  ILE   6          2HG2      ILE   6  -1.576  -8.906  -2.009
 2863   2HG2  ILE   6          1HG2      ILE   6  -2.862  -9.814  -2.804
 2864   3HG2  ILE   6          3HG2      ILE   6  -2.300  -8.292  -3.495
 2865   1HD1  ILE   6          2HD1      ILE   6  -5.719  -6.906  -1.240
 2866   2HD1  ILE   6          1HD1      ILE   6  -6.560  -7.686  -2.580
 2867   3HD1  ILE   6          3HD1      ILE   6  -6.761  -8.296  -0.937
 2868    H    LEU   7           H        LEU   7  -0.791  -8.849   0.288
 2869    HA   LEU   7           HA       LEU   7   0.623  -6.562   0.976
 2870   1HB   LEU   7          2HB       LEU   7   1.677  -9.102  -0.270
 2871   2HB   LEU   7          1HB       LEU   7   2.656  -7.894   0.539
 2872    HG   LEU   7           HG       LEU   7   0.498  -9.552   1.848
 2873   1HD1  LEU   7          1HD1      LEU   7   3.400  -9.922   1.477
 2874   2HD1  LEU   7          3HD1      LEU   7   2.769 -10.246   3.091
 2875   3HD1  LEU   7          2HD1      LEU   7   2.120 -11.114   1.700
 2876   1HD2  LEU   7          3HD2      LEU   7   1.610  -7.086   2.619
 2877   2HD2  LEU   7          2HD2      LEU   7   0.596  -8.164   3.577
 2878   3HD2  LEU   7          1HD2      LEU   7   2.351  -8.312   3.647
 2879    H    LEU   8           H        LEU   8   1.859  -5.088  -0.107
 2880    HA   LEU   8           HA       LEU   8   2.410  -5.375  -2.925
 2881   1HB   LEU   8          2HB       LEU   8  -0.012  -4.245  -2.279
 2882   2HB   LEU   8          1HB       LEU   8   1.022  -2.840  -2.454
 2883    HG   LEU   8           HG       LEU   8   1.148  -4.871  -4.614
 2884   1HD1  LEU   8          3HD1      LEU   8  -1.339  -4.210  -3.789
 2885   2HD1  LEU   8          2HD1      LEU   8  -1.013  -2.905  -4.930
 2886   3HD1  LEU   8          1HD1      LEU   8  -0.914  -4.584  -5.459
 2887   1HD2  LEU   8          2HD2      LEU   8   1.096  -1.856  -4.563
 2888   2HD2  LEU   8          1HD2      LEU   8   2.534  -2.869  -4.681
 2889   3HD2  LEU   8          3HD2      LEU   8   1.353  -2.858  -5.991
 2890    H    GLU   9           H        GLU   9   4.438  -4.702  -3.090
 2891    HA   GLU   9           HA       GLU   9   5.415  -2.642  -1.249
 2892   1HB   GLU   9          2HB       GLU   9   7.670  -3.388  -1.981
 2893   2HB   GLU   9          1HB       GLU   9   6.716  -4.673  -1.253
 2894   1HG   GLU   9          2HG       GLU   9   7.009  -5.923  -3.048
 2895   2HG   GLU   9          1HG       GLU   9   6.226  -4.698  -4.045
 2896    H    CYS  10           H        CYS  10   6.021  -0.673  -1.897
 2897    HA   CYS  10           HA       CYS  10   6.675  -0.135  -4.665
 2898   1HB   CYS  10          2HB       CYS  10   4.766   1.871  -3.986
 2899   2HB   CYS  10          1HB       CYS  10   4.703   0.704  -5.301
 2900    H    LYS  11           H        LYS  11   7.382   2.129  -4.982
 2901    HA   LYS  11           HA       LYS  11   8.952   2.985  -2.710
 2902   1HB   LYS  11          2HB       LYS  11   9.557   2.929  -5.296
 2903   2HB   LYS  11          1HB       LYS  11   8.869   4.546  -5.249
 2904   1HG   LYS  11          2HG       LYS  11  10.738   5.367  -4.400
 2905   2HG   LYS  11          1HG       LYS  11  10.678   4.221  -3.058
 2906   1HD   LYS  11          2HD       LYS  11  12.669   3.614  -4.013
 2907   2HD   LYS  11          1HD       LYS  11  11.570   2.550  -4.893
 2908   1HE   LYS  11          2HE       LYS  11  11.731   5.089  -6.216
 2909   2HE   LYS  11          1HE       LYS  11  13.354   4.454  -5.948
 2910   1HZ   LYS  11          3HZ       LYS  11  11.241   2.730  -7.069
 2911   2HZ   LYS  11          2HZ       LYS  11  12.100   3.790  -8.070
 2912   3HZ   LYS  11          1HZ       LYS  11  12.920   2.585  -7.213
 2913    H    LYS  12           H        LYS  12   6.846   4.752  -4.986
 2914    HA   LYS  12           HA       LYS  12   6.392   6.824  -3.017
 2915   1HB   LYS  12          2HB       LYS  12   6.685   7.384  -5.403
 2916   2HB   LYS  12          1HB       LYS  12   5.232   6.474  -5.788
 2917   1HG   LYS  12          2HG       LYS  12   3.977   8.251  -5.397
 2918   2HG   LYS  12          1HG       LYS  12   4.607   8.365  -3.752
 2919   1HD   LYS  12          2HD       LYS  12   6.679   9.363  -5.242
 2920   2HD   LYS  12          1HD       LYS  12   5.268   9.932  -6.134
 2921   1HE   LYS  12          2HE       LYS  12   4.551  11.263  -4.423
 2922   2HE   LYS  12          1HE       LYS  12   5.254  10.228  -3.180
 2923   1HZ   LYS  12          3HZ       LYS  12   6.873  11.912  -5.008
 2924   2HZ   LYS  12          2HZ       LYS  12   6.369  12.422  -3.477
 2925   3HZ   LYS  12          1HZ       LYS  12   7.402  11.092  -3.626
 2926    H    ASP  13           H        ASP  13   4.610   7.080  -1.780
 2927    HA   ASP  13           HA       ASP  13   2.917   4.959  -1.254
 2928   1HB   ASP  13          2HB       ASP  13   2.267   7.860  -0.741
 2929   2HB   ASP  13          1HB       ASP  13   1.614   6.466   0.106
 2930    H    SER  14           H        SER  14   2.540   7.597  -3.507
 2931    HA   SER  14           HA       SER  14  -0.161   7.389  -4.106
 2932   1HB   SER  14          1HB       SER  14   0.297   8.607  -6.064
 2933   2HB   SER  14          2HB       SER  14   1.897   7.888  -6.245
 2934    H    ASP  15           H        ASP  15   2.538   5.399  -5.122
 2935    HA   ASP  15           HA       ASP  15   1.497   4.047  -7.276
 2936   1HB   ASP  15          2HB       ASP  15   3.785   3.844  -5.913
 2937   2HB   ASP  15          1HB       ASP  15   2.968   2.425  -5.264
 2938    H    CYS  16           H        CYS  16   0.770   3.580  -3.867
 2939    HA   CYS  16           HA       CYS  16  -0.428   1.109  -3.885
 2940   1HB   CYS  16          2HB       CYS  16  -0.115   2.903  -1.973
 2941   2HB   CYS  16          1HB       CYS  16  -1.775   3.284  -2.342
 2942    H    LEU  17           H        LEU  17  -2.882   0.802  -3.506
 2943    HA   LEU  17           HA       LEU  17  -4.294   2.075  -5.760
 2944   1HB   LEU  17          2HB       LEU  17  -5.557  -0.003  -6.013
 2945   2HB   LEU  17          1HB       LEU  17  -3.833  -0.264  -6.206
 2946    HG   LEU  17           HG       LEU  17  -4.157  -0.801  -3.548
 2947   1HD1  LEU  17          1HD1      LEU  17  -6.730  -1.307  -4.943
 2948   2HD1  LEU  17          3HD1      LEU  17  -6.161  -2.505  -3.781
 2949   3HD1  LEU  17          2HD1      LEU  17  -6.418  -0.837  -3.271
 2950   1HD2  LEU  17          1HD2      LEU  17  -3.949  -2.391  -6.029
 2951   2HD2  LEU  17          3HD2      LEU  17  -2.909  -2.363  -4.605
 2952   3HD2  LEU  17          2HD2      LEU  17  -4.426  -3.262  -4.571
 2953    H    ALA  18           H        ALA  18  -6.727   1.945  -5.536
 2954    HA   ALA  18           HA       ALA  18  -8.576   2.727  -4.465
 2955   1HB   ALA  18           3HB      ALA  18  -8.505   0.431  -3.599
 2956   2HB   ALA  18          1HB       ALA  18  -9.196   1.554  -2.426
 2957   3HB   ALA  18          2HB       ALA  18  -7.538   0.983  -2.231
 2958    H    GLU  19           H        GLU  19  -8.036   2.699  -1.231
 2959    HA   GLU  19           HA       GLU  19  -6.944   5.432  -1.243
 2960   1HB   GLU  19          2HB       GLU  19  -9.444   4.398  -0.176
 2961   2HB   GLU  19          1HB       GLU  19  -8.493   5.202   1.066
 2962   1HG   GLU  19          2HG       GLU  19  -8.780   6.597  -1.526
 2963   2HG   GLU  19          1HG       GLU  19 -10.209   6.489  -0.500
 2964    H    CYS  20           H        CYS  20  -5.062   3.629  -1.044
 2965    HA   CYS  20           HA       CYS  20  -4.394   3.604   1.815
 2966   1HB   CYS  20          2HB       CYS  20  -4.516   1.318  -0.060
 2967   2HB   CYS  20          1HB       CYS  20  -3.074   1.395   0.948
 2968    H    VAL  21           H        VAL  21  -1.933   3.110   2.039
 2969    HA   VAL  21           HA       VAL  21  -0.547   4.640  -0.061
 2970    HB   VAL  21           HB       VAL  21   0.956   5.540   1.607
 2971   1HG1  VAL  21          3HG1      VAL  21  -1.963   5.923   1.818
 2972   2HG1  VAL  21          2HG1      VAL  21  -0.989   6.595   3.126
 2973   3HG1  VAL  21          1HG1      VAL  21  -0.686   7.084   1.460
 2974   1HG2  VAL  21          3HG2      VAL  21   0.918   3.592   3.136
 2975   2HG2  VAL  21          2HG2      VAL  21   0.694   5.127   3.974
 2976   3HG2  VAL  21          1HG2      VAL  21  -0.690   4.078   3.673
 2977    H    CYS  22           H        CYS  22   1.694   4.202  -0.330
 2978    HA   CYS  22           HA       CYS  22   2.326   1.360  -0.023
 2979   1HB   CYS  22          2HB       CYS  22   3.234   3.499  -1.926
 2980   2HB   CYS  22          1HB       CYS  22   4.222   2.073  -1.693
 2981    H    LEU  23           H        LEU  23   3.983   0.669   1.214
 2982    HA   LEU  23           HA       LEU  23   5.464   2.705   2.708
 2983   1HB   LEU  23          2HB       LEU  23   5.436  -0.238   3.307
 2984   2HB   LEU  23          1HB       LEU  23   5.814   1.091   4.386
 2985    HG   LEU  23           HG       LEU  23   3.062   0.936   3.248
 2986   1HD1  LEU  23          1HD1      LEU  23   4.258  -1.185   4.755
 2987   2HD1  LEU  23          3HD1      LEU  23   3.005  -0.403   5.718
 2988   3HD1  LEU  23          2HD1      LEU  23   2.618  -1.051   4.125
 2989   1HD2  LEU  23          3HD2      LEU  23   4.341   1.942   5.772
 2990   2HD2  LEU  23          2HD2      LEU  23   3.458   2.851   4.544
 2991   3HD2  LEU  23          1HD2      LEU  23   2.594   1.748   5.617
 2992    H    GLU  24           H        GLU  24   7.677   2.728   2.871
 2993    HA   GLU  24           HA       GLU  24   9.177   2.090   0.630
 2994   1HB   GLU  24          2HB       GLU  24  11.170   2.462   2.124
 2995   2HB   GLU  24          1HB       GLU  24   9.984   3.761   2.115
 2996   1HG   GLU  24          2HG       GLU  24   9.105   2.230   4.185
 2997   2HG   GLU  24          1HG       GLU  24  10.851   2.015   4.292
 2998    H    HIS  25           H        HIS  25   8.933   0.310   3.701
 2999    HA   HIS  25           HA       HIS  25  10.818  -1.658   3.173
 3000   1HB   HIS  25          2HB       HIS  25   9.002  -3.101   4.582
 3001   2HB   HIS  25          1HB       HIS  25  10.155  -1.991   5.309
 3002    HD1  HIS  25          1HD       HIS  25   9.213   0.341   6.076
 3003    HD2  HIS  25          2HD       HIS  25   6.345  -2.394   4.831
 3004    HE1  HIS  25          1HE       HIS  25   7.020   1.236   6.921
 3005    HE2  HIS  25          2HE       HIS  25   5.321  -0.505   6.270
 3006    H    GLY  26           H        GLY  26   7.657  -1.214   1.852
 3007   1HA   GLY  26          1HA       GLY  26   8.055  -3.671   0.273
 3008   2HA   GLY  26          2HA       GLY  26   7.256  -2.223  -0.312
 3009    H    TYR  27           H        TYR  27   5.275  -1.590   1.096
 3010    HA   TYR  27           HA       TYR  27   3.451  -3.779   0.947
 3011   1HB   TYR  27          2HB       TYR  27   4.350  -2.813   3.643
 3012   2HB   TYR  27          1HB       TYR  27   2.745  -3.492   3.417
 3013    HD1  TYR  27          1HD       TYR  27   3.020  -5.765   1.771
 3014    HD2  TYR  27          2HD       TYR  27   5.766  -4.301   4.672
 3015    HE1  TYR  27          1HE       TYR  27   3.947  -8.029   2.031
 3016    HE2  TYR  27          2HE       TYR  27   6.700  -6.559   4.938
 3017    HH   TYR  27           HH       TYR  27   6.564  -8.851   2.971
 3018    H    CYS  28           H        CYS  28   1.311  -3.115   0.939
 3019    HA   CYS  28           HA       CYS  28   0.922  -0.211   0.810
 3020   1HB   CYS  28          2HB       CYS  28  -0.135  -2.476  -0.656
 3021   2HB   CYS  28          1HB       CYS  28  -1.440  -1.488  -0.012
 3022    H    GLY  29           H        GLY  29   0.269   0.678   2.665
 3023   1HA   GLY  29          1HA       GLY  29  -0.554  -0.189   4.983
 3024   2HA   GLY  29          2HA       GLY  29  -2.002  -0.550   4.057
 3025    H1   ARG   1          2HT       ARG   1 -10.753   3.678  -0.351
 3026    H2   ARG   1          1HT       ARG   1 -12.431   3.707   0.011
 3027    H3   ARG   1          3HT       ARG   1 -11.604   5.168  -0.335
 3028    HA   ARG   1           HA       ARG   1 -10.500   5.187   1.633
 3029   1HB   ARG   1          2HB       ARG   1 -13.346   4.432   1.676
 3030   2HB   ARG   1          1HB       ARG   1 -12.518   4.225   3.214
 3031   1HG   ARG   1          2HG       ARG   1 -11.657   6.674   2.614
 3032   2HG   ARG   1          1HG       ARG   1 -13.184   6.693   1.729
 3033   1HD   ARG   1          2HD       ARG   1 -14.416   6.735   3.611
 3034   2HD   ARG   1          1HD       ARG   1 -13.357   5.599   4.446
 3035    HE   ARG   1           HE       ARG   1 -12.204   8.207   4.122
 3036   1HH1  ARG   1          1HH1      ARG   1 -14.284   6.239   6.117
 3037   2HH1  ARG   1          2HH1      ARG   1 -14.023   7.187   7.542
 3038   1HH2  ARG   1          1HH2      ARG   1 -11.860   9.455   5.997
 3039   2HH2  ARG   1          2HH2      ARG   1 -12.647   9.013   7.474
 3040    H    VAL   2           H        VAL   2 -11.981   1.996   1.164
 3041    HA   VAL   2           HA       VAL   2  -9.984   0.864   3.009
 3042    HB   VAL   2           HB       VAL   2 -12.553  -0.429   2.088
 3043   1HG1  VAL   2          1HG1      VAL   2 -10.302  -1.253   3.818
 3044   2HG1  VAL   2          3HG1      VAL   2 -11.924  -1.662   4.380
 3045   3HG1  VAL   2          2HG1      VAL   2 -11.370  -2.223   2.802
 3046   1HG2  VAL   2          2HG2      VAL   2 -12.428   1.738   3.728
 3047   2HG2  VAL   2          1HG2      VAL   2 -13.694   0.512   3.779
 3048   3HG2  VAL   2          3HG2      VAL   2 -12.326   0.414   4.888
 3049    H    CYS   3           H        CYS   3  -8.336  -0.141   2.082
 3050    HA   CYS   3           HA       CYS   3  -8.643  -1.160  -0.648
 3051   1HB   CYS   3          2HB       CYS   3  -6.257  -1.055  -0.842
 3052   2HB   CYS   3          1HB       CYS   3  -6.796   0.460  -0.128
 3053    HA   PRO   4           HA       PRO   4  -9.051  -5.383   0.697
 3054   1HB   PRO   4          2HB       PRO   4  -7.288  -5.785  -1.690
 3055   2HB   PRO   4          1HB       PRO   4  -8.747  -6.661  -1.214
 3056   1HG   PRO   4          2HG       PRO   4  -8.849  -4.819  -3.129
 3057   2HG   PRO   4          1HG       PRO   4 -10.161  -4.969  -1.946
 3058   1HD   PRO   4          2HD       PRO   4  -8.043  -2.896  -2.170
 3059   2HD   PRO   4          1HD       PRO   4  -9.695  -2.762  -1.539
 3060    H    ARG   5           H        ARG   5  -7.834  -6.890   1.803
 3061    HA   ARG   5           HA       ARG   5  -5.269  -6.028   2.737
 3062   1HB   ARG   5          2HB       ARG   5  -7.287  -7.789   3.628
 3063   2HB   ARG   5          1HB       ARG   5  -5.840  -8.766   3.429
 3064   1HG   ARG   5          2HG       ARG   5  -5.091  -6.359   4.728
 3065   2HG   ARG   5          1HG       ARG   5  -6.517  -7.003   5.543
 3066   1HD   ARG   5          2HD       ARG   5  -5.429  -8.850   6.285
 3067   2HD   ARG   5          1HD       ARG   5  -4.397  -8.946   4.859
 3068    HE   ARG   5           HE       ARG   5  -3.509  -6.730   6.157
 3069   1HH1  ARG   5          1HH1      ARG   5  -3.994 -10.057   7.092
 3070   2HH1  ARG   5          2HH1      ARG   5  -2.717 -10.045   8.262
 3071   1HH2  ARG   5          1HH2      ARG   5  -1.830  -6.712   7.696
 3072   2HH2  ARG   5          2HH2      ARG   5  -1.490  -8.146   8.606
 3073    H    ILE   6           H        ILE   6  -4.150  -5.986   0.692
 3074    HA   ILE   6           HA       ILE   6  -3.093  -8.638  -0.024
 3075    HB   ILE   6           HB       ILE   6  -3.552  -6.441  -2.039
 3076   1HG1  ILE   6          2HG1      ILE   6  -5.721  -7.209  -1.234
 3077   2HG1  ILE   6          1HG1      ILE   6  -5.438  -7.815  -2.863
 3078   1HG2  ILE   6          2HG2      ILE   6  -1.841  -8.513  -2.182
 3079   2HG2  ILE   6          1HG2      ILE   6  -3.294  -9.265  -2.838
 3080   3HG2  ILE   6          3HG2      ILE   6  -2.642  -7.807  -3.585
 3081   1HD1  ILE   6          2HD1      ILE   6  -4.455  -9.779  -1.126
 3082   2HD1  ILE   6          1HD1      ILE   6  -6.004  -9.259  -0.463
 3083   3HD1  ILE   6          3HD1      ILE   6  -5.907  -9.843  -2.125
 3084    H    LEU   7           H        LEU   7  -0.916  -8.756  -0.355
 3085    HA   LEU   7           HA       LEU   7   0.690  -6.646   0.693
 3086   1HB   LEU   7          2HB       LEU   7   1.437  -9.218  -0.700
 3087   2HB   LEU   7          1HB       LEU   7   2.595  -8.129   0.038
 3088    HG   LEU   7           HG       LEU   7   2.263  -9.862   1.600
 3089   1HD1  LEU   7          2HD1      LEU   7   1.747  -7.275   2.255
 3090   2HD1  LEU   7          1HD1      LEU   7   0.316  -8.089   2.883
 3091   3HD1  LEU   7          3HD1      LEU   7   1.919  -8.593   3.413
 3092   1HD2  LEU   7          3HD2      LEU   7   0.121 -10.638   0.479
 3093   2HD2  LEU   7          2HD2      LEU   7   0.198 -10.791   2.234
 3094   3HD2  LEU   7          1HD2      LEU   7  -0.714  -9.469   1.503
 3095    H    LEU   8           H        LEU   8   2.020  -5.209  -0.336
 3096    HA   LEU   8           HA       LEU   8   2.583  -5.362  -3.137
 3097   1HB   LEU   8          2HB       LEU   8   0.123  -4.324  -2.596
 3098   2HB   LEU   8          1HB       LEU   8   1.108  -2.873  -2.592
 3099    HG   LEU   8           HG       LEU   8   1.516  -4.690  -4.888
 3100   1HD1  LEU   8          2HD1      LEU   8  -0.954  -4.744  -4.485
 3101   2HD1  LEU   8          1HD1      LEU   8  -0.968  -2.998  -4.728
 3102   3HD1  LEU   8          3HD1      LEU   8  -0.469  -4.067  -6.040
 3103   1HD2  LEU   8          3HD2      LEU   8   1.544  -1.786  -4.278
 3104   2HD2  LEU   8          2HD2      LEU   8   2.702  -2.768  -5.175
 3105   3HD2  LEU   8          1HD2      LEU   8   1.189  -2.277  -5.934
 3106    H    GLU   9           H        GLU   9   4.592  -4.640  -3.247
 3107    HA   GLU   9           HA       GLU   9   5.503  -2.633  -1.316
 3108   1HB   GLU   9          2HB       GLU   9   7.768  -3.335  -1.936
 3109   2HB   GLU   9          1HB       GLU   9   6.793  -4.704  -1.419
 3110   1HG   GLU   9          2HG       GLU   9   6.500  -5.437  -3.671
 3111   2HG   GLU   9          1HG       GLU   9   7.252  -3.970  -4.298
 3112    H    CYS  10           H        CYS  10   6.096  -0.635  -1.884
 3113    HA   CYS  10           HA       CYS  10   6.837   0.012  -4.600
 3114   1HB   CYS  10          2HB       CYS  10   4.839   1.940  -3.992
 3115   2HB   CYS  10          1HB       CYS  10   4.862   0.777  -5.312
 3116    H    LYS  11           H        LYS  11   7.537   2.265  -4.825
 3117    HA   LYS  11           HA       LYS  11   8.918   3.131  -2.437
 3118   1HB   LYS  11          2HB       LYS  11   9.007   3.861  -5.335
 3119   2HB   LYS  11          1HB       LYS  11   9.668   4.986  -4.156
 3120   1HG   LYS  11          2HG       LYS  11  10.857   2.730  -3.332
 3121   2HG   LYS  11          1HG       LYS  11  10.671   2.360  -5.047
 3122   1HD   LYS  11          2HD       LYS  11  12.622   3.470  -5.244
 3123   2HD   LYS  11          1HD       LYS  11  11.592   4.902  -5.178
 3124   1HE   LYS  11          2HE       LYS  11  13.348   5.257  -3.625
 3125   2HE   LYS  11          1HE       LYS  11  11.909   4.877  -2.681
 3126   1HZ   LYS  11          2HZ       LYS  11  13.613   2.633  -3.413
 3127   2HZ   LYS  11          1HZ       LYS  11  14.245   3.712  -2.275
 3128   3HZ   LYS  11          3HZ       LYS  11  12.774   2.931  -1.975
 3129    H    LYS  12           H        LYS  12   6.938   4.873  -4.842
 3130    HA   LYS  12           HA       LYS  12   6.326   6.945  -2.929
 3131   1HB   LYS  12          2HB       LYS  12   6.687   7.437  -5.333
 3132   2HB   LYS  12          1HB       LYS  12   5.241   6.513  -5.719
 3133   1HG   LYS  12          2HG       LYS  12   3.898   8.219  -5.234
 3134   2HG   LYS  12          1HG       LYS  12   4.745   8.564  -3.724
 3135   1HD   LYS  12          2HD       LYS  12   6.583   9.506  -5.355
 3136   2HD   LYS  12          1HD       LYS  12   5.216   9.645  -6.462
 3137   1HE   LYS  12          2HE       LYS  12   5.022  10.703  -3.669
 3138   2HE   LYS  12          1HE       LYS  12   5.826  11.646  -4.924
 3139   1HZ   LYS  12          2HZ       LYS  12   3.575  10.996  -6.173
 3140   2HZ   LYS  12          1HZ       LYS  12   3.006  11.039  -4.581
 3141   3HZ   LYS  12          3HZ       LYS  12   3.748  12.403  -5.252
 3142    H    ASP  13           H        ASP  13   4.558   7.086  -1.680
 3143    HA   ASP  13           HA       ASP  13   2.885   4.939  -1.230
 3144   1HB   ASP  13          2HB       ASP  13   2.174   7.817  -0.675
 3145   2HB   ASP  13          1HB       ASP  13   1.538   6.397   0.138
 3146    H    SER  14           H        SER  14   2.491   7.610  -3.441
 3147    HA   SER  14           HA       SER  14  -0.195   7.378  -4.077
 3148   1HB   SER  14          2HB       SER  14   1.773   8.979  -4.948
 3149   2HB   SER  14          1HB       SER  14   1.690   7.876  -6.323
 3150    H    ASP  15           H        ASP  15   2.531   5.422  -5.091
 3151    HA   ASP  15           HA       ASP  15   1.511   4.091  -7.273
 3152   1HB   ASP  15          2HB       ASP  15   3.782   3.882  -5.802
 3153   2HB   ASP  15          1HB       ASP  15   2.972   2.382  -5.360
 3154    H    CYS  16           H        CYS  16   0.779   3.571  -3.873
 3155    HA   CYS  16           HA       CYS  16  -0.374   1.084  -3.913
 3156   1HB   CYS  16          2HB       CYS  16  -0.119   2.883  -1.996
 3157   2HB   CYS  16          1HB       CYS  16  -1.786   3.221  -2.376
 3158    H    LEU  17           H        LEU  17  -2.822   0.720  -3.562
 3159    HA   LEU  17           HA       LEU  17  -4.213   1.909  -5.871
 3160   1HB   LEU  17          2HB       LEU  17  -5.437  -0.145  -6.104
 3161   2HB   LEU  17          1HB       LEU  17  -3.721  -0.503  -6.064
 3162    HG   LEU  17           HG       LEU  17  -4.260  -0.857  -3.469
 3163   1HD1  LEU  17          3HD1      LEU  17  -6.768  -0.352  -4.329
 3164   2HD1  LEU  17          2HD1      LEU  17  -6.715  -2.107  -4.494
 3165   3HD1  LEU  17          1HD1      LEU  17  -6.386  -1.357  -2.932
 3166   1HD2  LEU  17          2HD2      LEU  17  -3.317  -2.436  -5.249
 3167   2HD2  LEU  17          1HD2      LEU  17  -4.146  -3.157  -3.868
 3168   3HD2  LEU  17          3HD2      LEU  17  -4.972  -3.021  -5.420
 3169    H    ALA  18           H        ALA  18  -6.658   1.781  -5.670
 3170    HA   ALA  18           HA       ALA  18  -8.506   2.679  -4.691
 3171   1HB   ALA  18          2HB       ALA  18  -8.515   0.433  -3.718
 3172   2HB   ALA  18           3HB      ALA  18  -9.191   1.620  -2.604
 3173   3HB   ALA  18          1HB       ALA  18  -7.553   1.015  -2.360
 3174    H    GLU  19           H        GLU  19  -8.050   2.797  -1.447
 3175    HA   GLU  19           HA       GLU  19  -6.903   5.505  -1.558
 3176   1HB   GLU  19          2HB       GLU  19  -9.483   5.055  -1.018
 3177   2HB   GLU  19          1HB       GLU  19  -8.833   4.813   0.598
 3178   1HG   GLU  19          2HG       GLU  19  -7.855   7.031   0.564
 3179   2HG   GLU  19          1HG       GLU  19  -8.427   7.276  -1.084
 3180    H    CYS  20           H        CYS  20  -5.090   3.628  -1.198
 3181    HA   CYS  20           HA       CYS  20  -4.556   3.694   1.694
 3182   1HB   CYS  20          2HB       CYS  20  -4.528   1.404  -0.178
 3183   2HB   CYS  20          1HB       CYS  20  -3.150   1.507   0.912
 3184    H    VAL  21           H        VAL  21  -1.999   2.851   1.783
 3185    HA   VAL  21           HA       VAL  21  -0.576   4.575  -0.126
 3186    HB   VAL  21           HB       VAL  21   0.874   5.426   1.608
 3187   1HG1  VAL  21          3HG1      VAL  21  -1.265   6.584   1.123
 3188   2HG1  VAL  21          2HG1      VAL  21  -1.995   5.731   2.483
 3189   3HG1  VAL  21          1HG1      VAL  21  -0.671   6.863   2.761
 3190   1HG2  VAL  21          1HG2      VAL  21  -0.475   3.367   3.240
 3191   2HG2  VAL  21          3HG2      VAL  21   1.177   3.978   3.321
 3192   3HG2  VAL  21          2HG2      VAL  21  -0.139   4.899   4.047
 3193    H    CYS  22           H        CYS  22   1.668   4.141  -0.338
 3194    HA   CYS  22           HA       CYS  22   2.289   1.289  -0.105
 3195   1HB   CYS  22          2HB       CYS  22   3.234   3.488  -1.917
 3196   2HB   CYS  22          1HB       CYS  22   4.238   2.071  -1.694
 3197    H    LEU  23           H        LEU  23   3.947   0.556   1.122
 3198    HA   LEU  23           HA       LEU  23   5.345   2.540   2.758
 3199   1HB   LEU  23          2HB       LEU  23   5.298  -0.438   3.184
 3200   2HB   LEU  23          1HB       LEU  23   5.726   0.810   4.339
 3201    HG   LEU  23           HG       LEU  23   2.961   0.808   3.223
 3202   1HD1  LEU  23          2HD1      LEU  23   4.103  -1.437   4.587
 3203   2HD1  LEU  23          1HD1      LEU  23   2.883  -0.676   5.608
 3204   3HD1  LEU  23          3HD1      LEU  23   2.463  -1.214   3.981
 3205   1HD2  LEU  23          3HD2      LEU  23   3.977   2.552   4.792
 3206   2HD2  LEU  23          2HD2      LEU  23   2.409   1.873   5.231
 3207   3HD2  LEU  23          1HD2      LEU  23   3.872   1.308   6.037
 3208    H    GLU  24           H        GLU  24   7.550   2.601   2.984
 3209    HA   GLU  24           HA       GLU  24   9.123   2.094   0.755
 3210   1HB   GLU  24          2HB       GLU  24  11.061   2.506   2.266
 3211   2HB   GLU  24          1HB       GLU  24   9.802   3.727   2.380
 3212   1HG   GLU  24          2HG       GLU  24   8.946   2.566   4.405
 3213   2HG   GLU  24          1HG       GLU  24  10.340   1.491   4.316
 3214    H    HIS  25           H        HIS  25   8.909   0.213   3.775
 3215    HA   HIS  25           HA       HIS  25  10.831  -1.696   3.198
 3216   1HB   HIS  25          2HB       HIS  25   9.080  -3.236   4.547
 3217   2HB   HIS  25          1HB       HIS  25  10.134  -2.067   5.326
 3218    HD1  HIS  25          1HD       HIS  25   9.022   0.168   6.128
 3219    HD2  HIS  25          2HD       HIS  25   6.371  -2.695   4.703
 3220    HE1  HIS  25          1HE       HIS  25   6.751   0.907   6.914
 3221    HE2  HIS  25          2HE       HIS  25   5.184  -0.913   6.153
 3222    H    GLY  26           H        GLY  26   7.673  -1.281   1.865
 3223   1HA   GLY  26          1HA       GLY  26   8.140  -3.672   0.205
 3224   2HA   GLY  26          2HA       GLY  26   7.319  -2.220  -0.341
 3225    H    TYR  27           H        TYR  27   5.309  -1.674   1.048
 3226    HA   TYR  27           HA       TYR  27   3.519  -3.873   0.796
 3227   1HB   TYR  27          2HB       TYR  27   4.435  -3.069   3.534
 3228   2HB   TYR  27          1HB       TYR  27   2.799  -3.665   3.295
 3229    HD1  TYR  27          1HD       TYR  27   3.224  -5.780   1.286
 3230    HD2  TYR  27          2HD       TYR  27   5.526  -4.748   4.712
 3231    HE1  TYR  27          1HE       TYR  27   4.053  -8.092   1.419
 3232    HE2  TYR  27          2HE       TYR  27   6.361  -7.056   4.854
 3233    HH   TYR  27           HH       TYR  27   6.100  -9.262   2.378
 3234    H    CYS  28           H        CYS  28   1.371  -3.227   0.798
 3235    HA   CYS  28           HA       CYS  28   0.961  -0.324   0.817
 3236   1HB   CYS  28          2HB       CYS  28  -0.085  -2.526  -0.759
 3237   2HB   CYS  28          1HB       CYS  28  -1.386  -1.546  -0.094
 3238    H    GLY  29           H        GLY  29   0.177   0.528   2.625
 3239   1HA   GLY  29          1HA       GLY  29  -0.610  -0.432   4.929
 3240   2HA   GLY  29          2HA       GLY  29  -2.034  -0.835   3.984
 3241    H1   ARG   1          2HT       ARG   1  -8.951   4.083   4.869
 3242    H2   ARG   1          1HT       ARG   1  -7.411   4.718   5.283
 3243    H3   ARG   1          3HT       ARG   1  -7.777   4.358   3.648
 3244    HA   ARG   1           HA       ARG   1  -6.458   2.635   4.341
 3245   1HB   ARG   1          2HB       ARG   1  -6.951   3.380   6.805
 3246   2HB   ARG   1          1HB       ARG   1  -8.190   2.134   6.737
 3247   1HG   ARG   1          2HG       ARG   1  -5.704   1.108   5.732
 3248   2HG   ARG   1          1HG       ARG   1  -5.473   1.823   7.329
 3249   1HD   ARG   1          2HD       ARG   1  -7.112   0.415   8.298
 3250   2HD   ARG   1          1HD       ARG   1  -7.693  -0.112   6.718
 3251    HE   ARG   1           HE       ARG   1  -4.965  -0.788   7.052
 3252   1HH1  ARG   1          1HH1      ARG   1  -8.167  -1.727   8.072
 3253   2HH1  ARG   1          2HH1      ARG   1  -7.730  -3.379   8.354
 3254   1HH2  ARG   1          1HH2      ARG   1  -4.387  -2.960   7.423
 3255   2HH2  ARG   1          2HH2      ARG   1  -5.583  -4.079   7.986
 3256    H    VAL   2           H        VAL   2  -8.981   2.997   2.854
 3257    HA   VAL   2           HA       VAL   2 -10.328   0.430   3.226
 3258    HB   VAL   2           HB       VAL   2 -11.860   1.295   1.414
 3259   1HG1  VAL   2          1HG1      VAL   2 -12.124   1.517   3.980
 3260   2HG1  VAL   2          3HG1      VAL   2 -11.786   3.225   3.698
 3261   3HG1  VAL   2          2HG1      VAL   2 -13.175   2.461   2.924
 3262   1HG2  VAL   2          1HG2      VAL   2  -9.879   3.102   0.937
 3263   2HG2  VAL   2          3HG2      VAL   2 -11.552   3.278   0.404
 3264   3HG2  VAL   2          2HG2      VAL   2 -11.013   4.061   1.889
 3265    H    CYS   3           H        CYS   3  -8.401  -0.751   2.506
 3266    HA   CYS   3           HA       CYS   3  -8.467  -1.114  -0.389
 3267   1HB   CYS   3          2HB       CYS   3  -6.053  -1.105  -0.603
 3268   2HB   CYS   3          1HB       CYS   3  -6.578   0.425   0.089
 3269    HA   PRO   4           HA       PRO   4  -8.934  -5.396   0.731
 3270   1HB   PRO   4          2HB       PRO   4  -7.216  -5.696  -1.705
 3271   2HB   PRO   4          1HB       PRO   4  -8.681  -6.574  -1.250
 3272   1HG   PRO   4          2HG       PRO   4  -8.783  -4.627  -3.060
 3273   2HG   PRO   4          1HG       PRO   4 -10.080  -4.827  -1.868
 3274   1HD   PRO   4          2HD       PRO   4  -7.943  -2.768  -2.014
 3275   2HD   PRO   4          1HD       PRO   4  -9.579  -2.654  -1.335
 3276    H    ARG   5           H        ARG   5  -7.768  -6.830   1.911
 3277    HA   ARG   5           HA       ARG   5  -5.151  -6.119   2.759
 3278   1HB   ARG   5          2HB       ARG   5  -6.707  -8.676   3.194
 3279   2HB   ARG   5          1HB       ARG   5  -5.232  -8.231   4.042
 3280   1HG   ARG   5          2HG       ARG   5  -6.423  -7.154   5.561
 3281   2HG   ARG   5          1HG       ARG   5  -7.063  -6.085   4.311
 3282   1HD   ARG   5          2HD       ARG   5  -8.539  -8.345   3.921
 3283   2HD   ARG   5          1HD       ARG   5  -8.310  -8.365   5.669
 3284    HE   ARG   5           HE       ARG   5  -9.159  -5.818   4.643
 3285   1HH1  ARG   5          1HH1      ARG   5 -10.222  -8.945   5.774
 3286   2HH1  ARG   5          2HH1      ARG   5 -11.798  -8.385   6.224
 3287   1HH2  ARG   5          1HH2      ARG   5 -11.232  -5.081   5.233
 3288   2HH2  ARG   5          2HH2      ARG   5 -12.372  -6.192   5.916
 3289    H    ILE   6           H        ILE   6  -4.077  -6.059   0.686
 3290    HA   ILE   6           HA       ILE   6  -3.066  -8.710  -0.079
 3291    HB   ILE   6           HB       ILE   6  -4.711  -8.022  -1.771
 3292   1HG1  ILE   6          2HG1      ILE   6  -2.683  -7.723  -3.637
 3293   2HG1  ILE   6          1HG1      ILE   6  -1.879  -8.523  -2.290
 3294   1HG2  ILE   6          3HG2      ILE   6  -4.329  -5.554  -1.386
 3295   2HG2  ILE   6          2HG2      ILE   6  -2.907  -5.705  -2.417
 3296   3HG2  ILE   6          1HG2      ILE   6  -4.508  -6.057  -3.066
 3297   1HD1  ILE   6          1HD1      ILE   6  -4.344  -9.833  -2.684
 3298   2HD1  ILE   6          3HD1      ILE   6  -3.590  -9.632  -4.265
 3299   3HD1  ILE   6          2HD1      ILE   6  -2.716 -10.447  -2.969
 3300    H    LEU   7           H        LEU   7  -0.910  -8.817  -0.155
 3301    HA   LEU   7           HA       LEU   7   0.730  -6.730   0.706
 3302   1HB   LEU   7          2HB       LEU   7   1.512  -9.148  -0.924
 3303   2HB   LEU   7          1HB       LEU   7   2.608  -8.139  -0.001
 3304    HG   LEU   7           HG       LEU   7   0.425  -9.891   1.123
 3305   1HD1  LEU   7          1HD1      LEU   7   2.827 -10.697   0.227
 3306   2HD1  LEU   7          3HD1      LEU   7   3.251 -10.241   1.876
 3307   3HD1  LEU   7          2HD1      LEU   7   1.992 -11.442   1.590
 3308   1HD2  LEU   7          3HD2      LEU   7   1.693  -7.576   2.221
 3309   2HD2  LEU   7          2HD2      LEU   7   0.480  -8.630   2.947
 3310   3HD2  LEU   7          1HD2      LEU   7   2.193  -9.003   3.129
 3311    H    LEU   8           H        LEU   8   1.987  -5.226  -0.310
 3312    HA   LEU   8           HA       LEU   8   2.387  -5.226  -3.146
 3313   1HB   LEU   8          2HB       LEU   8   0.014  -4.050  -2.203
 3314   2HB   LEU   8          1HB       LEU   8   1.088  -2.715  -2.574
 3315    HG   LEU   8           HG       LEU   8   1.254  -4.509  -4.755
 3316   1HD1  LEU   8          3HD1      LEU   8  -1.565  -4.021  -3.824
 3317   2HD1  LEU   8          2HD1      LEU   8  -1.145  -4.459  -5.479
 3318   3HD1  LEU   8          1HD1      LEU   8  -0.786  -5.568  -4.157
 3319   1HD2  LEU   8          2HD2      LEU   8   1.512  -2.049  -4.771
 3320   2HD2  LEU   8          1HD2      LEU   8   0.401  -2.636  -6.008
 3321   3HD2  LEU   8          3HD2      LEU   8  -0.229  -1.893  -4.537
 3322    H    GLU   9           H        GLU   9   4.452  -4.645  -3.198
 3323    HA   GLU   9           HA       GLU   9   5.432  -2.640  -1.299
 3324   1HB   GLU   9          2HB       GLU   9   7.672  -3.429  -1.911
 3325   2HB   GLU   9          1HB       GLU   9   6.652  -4.755  -1.369
 3326   1HG   GLU   9          2HG       GLU   9   6.242  -4.738  -4.083
 3327   2HG   GLU   9          1HG       GLU   9   7.948  -4.317  -3.935
 3328    H    CYS  10           H        CYS  10   6.034  -0.655  -1.910
 3329    HA   CYS  10           HA       CYS  10   6.787  -0.097  -4.650
 3330   1HB   CYS  10          2HB       CYS  10   4.871   1.914  -4.025
 3331   2HB   CYS  10          1HB       CYS  10   4.835   0.745  -5.340
 3332    H    LYS  11           H        LYS  11   7.354   2.274  -4.908
 3333    HA   LYS  11           HA       LYS  11   8.934   3.066  -2.605
 3334   1HB   LYS  11          2HB       LYS  11   9.317   3.203  -5.357
 3335   2HB   LYS  11          1HB       LYS  11   9.027   4.873  -4.888
 3336   1HG   LYS  11          2HG       LYS  11  11.137   5.017  -4.245
 3337   2HG   LYS  11          1HG       LYS  11  10.808   3.823  -2.987
 3338   1HD   LYS  11          2HD       LYS  11  11.556   2.048  -4.315
 3339   2HD   LYS  11          1HD       LYS  11  11.422   2.986  -5.803
 3340   1HE   LYS  11          2HE       LYS  11  13.645   3.227  -5.576
 3341   2HE   LYS  11          1HE       LYS  11  13.206   4.479  -4.414
 3342   1HZ   LYS  11          1HZ       LYS  11  13.157   2.329  -2.855
 3343   2HZ   LYS  11          3HZ       LYS  11  14.343   1.846  -3.961
 3344   3HZ   LYS  11          2HZ       LYS  11  14.540   3.277  -3.081
 3345    H    LYS  12           H        LYS  12   6.922   4.932  -4.885
 3346    HA   LYS  12           HA       LYS  12   6.391   6.923  -2.865
 3347   1HB   LYS  12          2HB       LYS  12   6.724   7.589  -5.201
 3348   2HB   LYS  12          1HB       LYS  12   5.330   6.633  -5.684
 3349   1HG   LYS  12          2HG       LYS  12   4.053   8.412  -5.381
 3350   2HG   LYS  12          1HG       LYS  12   4.432   8.358  -3.658
 3351   1HD   LYS  12          2HD       LYS  12   6.622   9.591  -4.432
 3352   2HD   LYS  12          1HD       LYS  12   5.623  10.033  -5.820
 3353   1HE   LYS  12          2HE       LYS  12   5.019  11.765  -4.515
 3354   2HE   LYS  12          1HE       LYS  12   3.925  10.584  -3.793
 3355   1HZ   LYS  12          1HZ       LYS  12   5.654  10.122  -2.125
 3356   2HZ   LYS  12          3HZ       LYS  12   6.610  11.352  -2.785
 3357   3HZ   LYS  12          2HZ       LYS  12   5.121  11.727  -2.076
 3358    H    ASP  13           H        ASP  13   4.593   7.131  -1.648
 3359    HA   ASP  13           HA       ASP  13   2.897   4.997  -1.212
 3360   1HB   ASP  13          2HB       ASP  13   2.220   7.879  -0.638
 3361   2HB   ASP  13          1HB       ASP  13   1.562   6.462   0.162
 3362    H    SER  14           H        SER  14   2.546   7.688  -3.404
 3363    HA   SER  14           HA       SER  14  -0.142   7.487  -4.053
 3364   1HB   SER  14          1HB       SER  14   0.448   8.545  -6.186
 3365   2HB   SER  14          2HB       SER  14   2.147   8.152  -5.922
 3366    H    ASP  15           H        ASP  15   2.578   5.529  -5.073
 3367    HA   ASP  15           HA       ASP  15   1.565   4.230  -7.279
 3368   1HB   ASP  15          2HB       ASP  15   3.830   3.999  -5.805
 3369   2HB   ASP  15          1HB       ASP  15   3.015   2.498  -5.377
 3370    H    CYS  16           H        CYS  16   0.821   3.664  -3.889
 3371    HA   CYS  16           HA       CYS  16  -0.330   1.182  -3.956
 3372   1HB   CYS  16          2HB       CYS  16  -0.100   2.952  -2.021
 3373   2HB   CYS  16          1HB       CYS  16  -1.757   3.315  -2.423
 3374    H    LEU  17           H        LEU  17  -2.753   0.768  -3.663
 3375    HA   LEU  17           HA       LEU  17  -4.161   2.011  -5.934
 3376   1HB   LEU  17          2HB       LEU  17  -5.360  -0.083  -6.214
 3377   2HB   LEU  17          1HB       LEU  17  -3.628  -0.341  -6.304
 3378    HG   LEU  17           HG       LEU  17  -4.085  -0.827  -3.662
 3379   1HD1  LEU  17          3HD1      LEU  17  -6.621  -0.659  -4.565
 3380   2HD1  LEU  17          2HD1      LEU  17  -6.304  -2.375  -4.817
 3381   3HD1  LEU  17          1HD1      LEU  17  -6.121  -1.671  -3.210
 3382   1HD2  LEU  17          1HD2      LEU  17  -4.191  -2.753  -5.980
 3383   2HD2  LEU  17          3HD2      LEU  17  -2.756  -2.225  -5.100
 3384   3HD2  LEU  17          2HD2      LEU  17  -3.968  -3.221  -4.294
 3385    H    ALA  18           H        ALA  18  -6.618   1.746  -5.741
 3386    HA   ALA  18           HA       ALA  18  -8.503   2.516  -4.722
 3387   1HB   ALA  18           3HB      ALA  18  -8.352   0.248  -3.781
 3388   2HB   ALA  18          1HB       ALA  18  -9.119   1.381  -2.667
 3389   3HB   ALA  18          2HB       ALA  18  -7.444   0.889  -2.412
 3390    H    GLU  19           H        GLU  19  -8.009   2.606  -1.481
 3391    HA   GLU  19           HA       GLU  19  -6.976   5.359  -1.556
 3392   1HB   GLU  19          2HB       GLU  19  -9.510   4.338  -0.563
 3393   2HB   GLU  19          1HB       GLU  19  -8.626   5.202   0.686
 3394   1HG   GLU  19          2HG       GLU  19  -9.217   6.313  -2.045
 3395   2HG   GLU  19          1HG       GLU  19 -10.203   6.606  -0.614
 3396    H    CYS  20           H        CYS  20  -5.068   3.639  -1.202
 3397    HA   CYS  20           HA       CYS  20  -4.562   3.670   1.693
 3398   1HB   CYS  20          2HB       CYS  20  -4.629   1.365  -0.100
 3399   2HB   CYS  20          1HB       CYS  20  -3.096   1.507   0.754
 3400    H    VAL  21           H        VAL  21  -1.977   2.821   1.731
 3401    HA   VAL  21           HA       VAL  21  -0.587   4.583  -0.163
 3402    HB   VAL  21           HB       VAL  21   0.867   5.444   1.574
 3403   1HG1  VAL  21          2HG1      VAL  21  -2.080   5.778   1.830
 3404   2HG1  VAL  21          1HG1      VAL  21  -1.033   6.547   3.023
 3405   3HG1  VAL  21          3HG1      VAL  21  -0.851   6.932   1.311
 3406   1HG2  VAL  21          1HG2      VAL  21   0.016   3.226   3.043
 3407   2HG2  VAL  21          3HG2      VAL  21   1.097   4.509   3.584
 3408   3HG2  VAL  21          2HG2      VAL  21  -0.634   4.622   3.903
 3409    H    CYS  22           H        CYS  22   1.674   4.172  -0.364
 3410    HA   CYS  22           HA       CYS  22   2.307   1.323  -0.141
 3411   1HB   CYS  22          2HB       CYS  22   3.258   3.537  -1.934
 3412   2HB   CYS  22          1HB       CYS  22   4.255   2.114  -1.721
 3413    H    LEU  23           H        LEU  23   3.920   0.589   1.124
 3414    HA   LEU  23           HA       LEU  23   5.348   2.567   2.742
 3415   1HB   LEU  23          2HB       LEU  23   5.250  -0.402   3.213
 3416   2HB   LEU  23          1HB       LEU  23   5.671   0.861   4.354
 3417    HG   LEU  23           HG       LEU  23   2.925   0.869   3.194
 3418   1HD1  LEU  23          1HD1      LEU  23   4.017  -1.371   4.593
 3419   2HD1  LEU  23          3HD1      LEU  23   2.811  -0.578   5.607
 3420   3HD1  LEU  23          2HD1      LEU  23   2.379  -1.125   3.988
 3421   1HD2  LEU  23          1HD2      LEU  23   3.768   2.678   4.668
 3422   2HD2  LEU  23          3HD2      LEU  23   2.358   1.840   5.316
 3423   3HD2  LEU  23          2HD2      LEU  23   3.963   1.488   5.955
 3424    H    GLU  24           H        GLU  24   7.554   2.578   2.987
 3425    HA   GLU  24           HA       GLU  24   9.130   2.014   0.774
 3426   1HB   GLU  24          2HB       GLU  24  11.055   2.470   2.232
 3427   2HB   GLU  24          1HB       GLU  24   9.771   3.648   2.463
 3428   1HG   GLU  24          2HG       GLU  24   9.042   2.377   4.465
 3429   2HG   GLU  24          1HG       GLU  24  10.448   1.333   4.259
 3430    H    HIS  25           H        HIS  25   8.843   0.162   3.806
 3431    HA   HIS  25           HA       HIS  25  10.735  -1.788   3.267
 3432   1HB   HIS  25          2HB       HIS  25   8.935  -3.282   4.609
 3433   2HB   HIS  25          1HB       HIS  25  10.010  -2.132   5.390
 3434    HD1  HIS  25          1HD       HIS  25   8.944   0.135   6.164
 3435    HD2  HIS  25          2HD       HIS  25   6.239  -2.677   4.740
 3436    HE1  HIS  25          1HE       HIS  25   6.684   0.932   6.924
 3437    HE2  HIS  25          2HE       HIS  25   5.083  -0.861   6.173
 3438    H    GLY  26           H        GLY  26   7.604  -1.322   1.887
 3439   1HA   GLY  26          1HA       GLY  26   8.043  -3.740   0.260
 3440   2HA   GLY  26          2HA       GLY  26   7.255  -2.277  -0.309
 3441    H    TYR  27           H        TYR  27   5.249  -1.679   1.084
 3442    HA   TYR  27           HA       TYR  27   3.419  -3.849   0.827
 3443   1HB   TYR  27          2HB       TYR  27   4.322  -3.027   3.565
 3444   2HB   TYR  27          1HB       TYR  27   2.685  -3.616   3.315
 3445    HD1  TYR  27          1HD       TYR  27   2.967  -5.793   1.451
 3446    HD2  TYR  27          2HD       TYR  27   5.542  -4.662   4.643
 3447    HE1  TYR  27          1HE       TYR  27   3.782  -8.108   1.607
 3448    HE2  TYR  27          2HE       TYR  27   6.364  -6.973   4.808
 3449    HH   TYR  27           HH       TYR  27   6.500  -9.010   3.030
 3450    H    CYS  28           H        CYS  28   1.286  -3.168   0.797
 3451    HA   CYS  28           HA       CYS  28   0.928  -0.260   0.790
 3452   1HB   CYS  28          2HB       CYS  28  -0.129  -2.449  -0.792
 3453   2HB   CYS  28          1HB       CYS  28  -1.429  -1.455  -0.145
 3454    H    GLY  29           H        GLY  29   0.144   0.615   2.589
 3455   1HA   GLY  29          1HA       GLY  29  -0.703  -0.333   4.883
 3456   2HA   GLY  29          2HA       GLY  29  -2.125  -0.681   3.913
 3457    H1   ARG   1          3HT       ARG   1 -10.780   5.115   3.498
 3458    H2   ARG   1          2HT       ARG   1 -10.095   5.674   2.028
 3459    H3   ARG   1          1HT       ARG   1 -11.719   6.066   2.425
 3460    HA   ARG   1           HA       ARG   1 -12.446   3.924   2.120
 3461   1HB   ARG   1          2HB       ARG   1 -11.289   5.419   0.124
 3462   2HB   ARG   1          1HB       ARG   1 -10.532   3.850  -0.106
 3463   1HG   ARG   1          2HG       ARG   1 -12.904   2.899  -0.027
 3464   2HG   ARG   1          1HG       ARG   1 -13.436   4.567  -0.247
 3465   1HD   ARG   1          2HD       ARG   1 -12.756   4.638  -2.398
 3466   2HD   ARG   1          1HD       ARG   1 -11.330   3.648  -2.088
 3467    HE   ARG   1           HE       ARG   1 -13.643   2.056  -1.887
 3468   1HH1  ARG   1          1HH1      ARG   1 -11.705   3.710  -4.272
 3469   2HH1  ARG   1          2HH1      ARG   1 -12.123   2.619  -5.549
 3470   1HH2  ARG   1          1HH2      ARG   1 -14.192   0.620  -3.566
 3471   2HH2  ARG   1          2HH2      ARG   1 -13.534   0.864  -5.149
 3472    H    VAL   2           H        VAL   2 -12.170   1.745   2.278
 3473    HA   VAL   2           HA       VAL   2  -9.657   0.828   3.381
 3474    HB   VAL   2           HB       VAL   2 -10.823  -1.312   3.733
 3475   1HG1  VAL   2          2HG1      VAL   2 -11.152   0.978   5.111
 3476   2HG1  VAL   2          1HG1      VAL   2 -12.830   0.613   4.710
 3477   3HG1  VAL   2          3HG1      VAL   2 -11.859  -0.564   5.593
 3478   1HG2  VAL   2          2HG2      VAL   2 -12.697  -0.127   1.840
 3479   2HG2  VAL   2          1HG2      VAL   2 -12.443  -1.817   2.276
 3480   3HG2  VAL   2          3HG2      VAL   2 -13.486  -0.797   3.269
 3481    H    CYS   3           H        CYS   3  -8.154  -0.381   2.386
 3482    HA   CYS   3           HA       CYS   3  -8.667  -1.144  -0.405
 3483   1HB   CYS   3          2HB       CYS   3  -6.276  -1.023  -0.769
 3484   2HB   CYS   3          1HB       CYS   3  -6.824   0.474  -0.024
 3485    HA   PRO   4           HA       PRO   4  -8.906  -5.462   0.633
 3486   1HB   PRO   4          2HB       PRO   4  -7.211  -5.609  -1.835
 3487   2HB   PRO   4          1HB       PRO   4  -8.605  -6.594  -1.373
 3488   1HG   PRO   4          2HG       PRO   4  -8.867  -4.609  -3.131
 3489   2HG   PRO   4          1HG       PRO   4 -10.130  -4.938  -1.931
 3490   1HD   PRO   4          2HD       PRO   4  -8.186  -2.706  -2.061
 3491   2HD   PRO   4          1HD       PRO   4  -9.790  -2.767  -1.305
 3492    H    ARG   5           H        ARG   5  -7.691  -6.698   1.931
 3493    HA   ARG   5           HA       ARG   5  -5.066  -5.932   2.659
 3494   1HB   ARG   5          2HB       ARG   5  -6.679  -8.411   3.260
 3495   2HB   ARG   5          1HB       ARG   5  -5.092  -8.103   3.950
 3496   1HG   ARG   5          2HG       ARG   5  -6.907  -5.862   4.294
 3497   2HG   ARG   5          1HG       ARG   5  -7.514  -7.351   5.021
 3498   1HD   ARG   5          2HD       ARG   5  -4.679  -6.882   5.532
 3499   2HD   ARG   5          1HD       ARG   5  -5.722  -5.611   6.168
 3500    HE   ARG   5           HE       ARG   5  -6.888  -7.977   6.940
 3501   1HH1  ARG   5          1HH1      ARG   5  -3.796  -6.429   7.412
 3502   2HH1  ARG   5          2HH1      ARG   5  -3.527  -7.158   8.960
 3503   1HH2  ARG   5          1HH2      ARG   5  -6.537  -8.937   8.975
 3504   2HH2  ARG   5          2HH2      ARG   5  -5.083  -8.581   9.847
 3505    H    ILE   6           H        ILE   6  -4.027  -5.944   0.569
 3506    HA   ILE   6           HA       ILE   6  -3.026  -8.621  -0.128
 3507    HB   ILE   6           HB       ILE   6  -4.650  -7.910  -1.839
 3508   1HG1  ILE   6          2HG1      ILE   6  -2.955  -7.955  -3.810
 3509   2HG1  ILE   6          1HG1      ILE   6  -1.739  -8.138  -2.550
 3510   1HG2  ILE   6          1HG2      ILE   6  -4.312  -5.477  -1.557
 3511   2HG2  ILE   6          3HG2      ILE   6  -2.760  -5.626  -2.381
 3512   3HG2  ILE   6          2HG2      ILE   6  -4.254  -5.994  -3.242
 3513   1HD1  ILE   6          3HD1      ILE   6  -3.468 -10.051  -1.805
 3514   2HD1  ILE   6          2HD1      ILE   6  -3.738 -10.048  -3.548
 3515   3HD1  ILE   6          1HD1      ILE   6  -2.118 -10.322  -2.906
 3516    H    LEU   7           H        LEU   7  -0.876  -8.764  -0.120
 3517    HA   LEU   7           HA       LEU   7   0.797  -6.710   0.718
 3518   1HB   LEU   7          2HB       LEU   7   1.530  -9.158  -0.889
 3519   2HB   LEU   7          1HB       LEU   7   2.657  -8.154   0.003
 3520    HG   LEU   7           HG       LEU   7   0.480  -9.896   1.153
 3521   1HD1  LEU   7          2HD1      LEU   7   3.424 -10.097   0.869
 3522   2HD1  LEU   7          1HD1      LEU   7   2.701 -10.694   2.363
 3523   3HD1  LEU   7          3HD1      LEU   7   2.189 -11.353   0.809
 3524   1HD2  LEU   7          2HD2      LEU   7   1.778  -7.543   2.244
 3525   2HD2  LEU   7          1HD2      LEU   7   0.410  -8.468   2.861
 3526   3HD2  LEU   7          3HD2      LEU   7   2.057  -8.975   3.235
 3527    H    LEU   8           H        LEU   8   2.013  -5.179  -0.279
 3528    HA   LEU   8           HA       LEU   8   2.468  -5.200  -3.116
 3529   1HB   LEU   8          2HB       LEU   8   0.066  -4.123  -2.333
 3530   2HB   LEU   8          1HB       LEU   8   1.103  -2.710  -2.390
 3531    HG   LEU   8           HG       LEU   8   1.726  -3.837  -4.766
 3532   1HD1  LEU   8          1HD1      LEU   8  -0.960  -4.840  -3.981
 3533   2HD1  LEU   8          3HD1      LEU   8  -0.706  -4.336  -5.651
 3534   3HD1  LEU   8          2HD1      LEU   8   0.296  -5.608  -4.951
 3535   1HD2  LEU   8          1HD2      LEU   8   1.025  -1.510  -4.311
 3536   2HD2  LEU   8          3HD2      LEU   8   0.294  -2.177  -5.770
 3537   3HD2  LEU   8          2HD2      LEU   8  -0.654  -2.048  -4.289
 3538    H    GLU   9           H        GLU   9   4.520  -4.601  -3.194
 3539    HA   GLU   9           HA       GLU   9   5.526  -2.639  -1.263
 3540   1HB   GLU   9          2HB       GLU   9   7.780  -3.407  -2.111
 3541   2HB   GLU   9          1HB       GLU   9   6.829  -4.627  -1.274
 3542   1HG   GLU   9          2HG       GLU   9   6.501  -4.503  -4.201
 3543   2HG   GLU   9          1HG       GLU   9   8.070  -5.048  -3.608
 3544    H    CYS  10           H        CYS  10   6.069  -0.631  -1.841
 3545    HA   CYS  10           HA       CYS  10   6.892  -0.009  -4.538
 3546   1HB   CYS  10          2HB       CYS  10   4.871   1.917  -4.013
 3547   2HB   CYS  10          1HB       CYS  10   4.938   0.742  -5.320
 3548    H    LYS  11           H        LYS  11   7.658   2.200  -4.759
 3549    HA   LYS  11           HA       LYS  11   8.916   3.111  -2.325
 3550   1HB   LYS  11          2HB       LYS  11   9.067   4.120  -5.170
 3551   2HB   LYS  11          1HB       LYS  11  10.007   4.777  -3.837
 3552   1HG   LYS  11          2HG       LYS  11  10.828   2.347  -3.525
 3553   2HG   LYS  11          1HG       LYS  11  10.232   2.112  -5.169
 3554   1HD   LYS  11          2HD       LYS  11  11.817   3.489  -6.087
 3555   2HD   LYS  11          1HD       LYS  11  11.974   4.461  -4.622
 3556   1HE   LYS  11          2HE       LYS  11  13.978   3.106  -5.057
 3557   2HE   LYS  11          1HE       LYS  11  13.200   2.676  -3.534
 3558   1HZ   LYS  11          2HZ       LYS  11  12.154   0.794  -4.670
 3559   2HZ   LYS  11          1HZ       LYS  11  12.972   1.192  -6.096
 3560   3HZ   LYS  11          3HZ       LYS  11  13.842   0.702  -4.730
 3561    H    LYS  12           H        LYS  12   6.941   4.711  -4.831
 3562    HA   LYS  12           HA       LYS  12   6.326   6.897  -3.047
 3563   1HB   LYS  12          2HB       LYS  12   6.675   7.195  -5.509
 3564   2HB   LYS  12          1HB       LYS  12   5.180   6.310  -5.782
 3565   1HG   LYS  12          2HG       LYS  12   3.863   8.020  -4.989
 3566   2HG   LYS  12          1HG       LYS  12   5.161   8.711  -4.015
 3567   1HD   LYS  12          2HD       LYS  12   6.296   9.452  -6.054
 3568   2HD   LYS  12          1HD       LYS  12   4.999   8.757  -7.027
 3569   1HE   LYS  12          2HE       LYS  12   4.860  11.242  -6.631
 3570   2HE   LYS  12          1HE       LYS  12   3.420  10.316  -6.208
 3571   1HZ   LYS  12          1HZ       LYS  12   5.496  11.220  -4.285
 3572   2HZ   LYS  12          3HZ       LYS  12   3.990  11.958  -4.514
 3573   3HZ   LYS  12          2HZ       LYS  12   4.077  10.386  -3.898
 3574    H    ASP  13           H        ASP  13   4.550   7.112  -1.816
 3575    HA   ASP  13           HA       ASP  13   2.882   4.950  -1.291
 3576   1HB   ASP  13          2HB       ASP  13   2.231   7.838  -0.722
 3577   2HB   ASP  13          1HB       ASP  13   1.585   6.429   0.102
 3578    H    SER  14           H        SER  14   2.489   7.630  -3.493
 3579    HA   SER  14           HA       SER  14  -0.215   7.429  -4.073
 3580   1HB   SER  14          2HB       SER  14   2.099   8.162  -5.878
 3581   2HB   SER  14          1HB       SER  14   0.405   8.369  -6.321
 3582    H    ASP  15           H        ASP  15   2.473   5.457  -5.146
 3583    HA   ASP  15           HA       ASP  15   1.379   4.151  -7.315
 3584   1HB   ASP  15          2HB       ASP  15   3.731   3.967  -6.176
 3585   2HB   ASP  15          1HB       ASP  15   3.001   2.610  -5.325
 3586    H    CYS  16           H        CYS  16   0.778   3.600  -3.894
 3587    HA   CYS  16           HA       CYS  16  -0.343   1.114  -3.865
 3588   1HB   CYS  16          2HB       CYS  16  -0.126   2.959  -1.989
 3589   2HB   CYS  16          1HB       CYS  16  -1.799   3.252  -2.373
 3590    H    LEU  17           H        LEU  17  -2.714   0.623  -3.525
 3591    HA   LEU  17           HA       LEU  17  -4.201   1.693  -5.825
 3592   1HB   LEU  17          2HB       LEU  17  -5.488  -0.400  -5.750
 3593   2HB   LEU  17          1HB       LEU  17  -3.773  -0.679  -5.985
 3594    HG   LEU  17           HG       LEU  17  -4.151  -0.803  -3.213
 3595   1HD1  LEU  17          2HD1      LEU  17  -6.387  -2.133  -4.715
 3596   2HD1  LEU  17          1HD1      LEU  17  -5.866  -2.657  -3.114
 3597   3HD1  LEU  17          3HD1      LEU  17  -6.494  -1.026  -3.346
 3598   1HD2  LEU  17          1HD2      LEU  17  -2.614  -2.117  -4.684
 3599   2HD2  LEU  17          3HD2      LEU  17  -3.450  -3.070  -3.457
 3600   3HD2  LEU  17          2HD2      LEU  17  -3.996  -3.117  -5.132
 3601    H    ALA  18           H        ALA  18  -6.580   1.812  -5.575
 3602    HA   ALA  18           HA       ALA  18  -8.357   2.819  -4.553
 3603   1HB   ALA  18           3HB      ALA  18  -8.073   0.420  -3.480
 3604   2HB   ALA  18          2HB       ALA  18  -7.758   1.366  -2.026
 3605   3HB   ALA  18          1HB       ALA  18  -9.286   1.555  -2.886
 3606    H    GLU  19           H        GLU  19  -8.461   3.179  -1.537
 3607    HA   GLU  19           HA       GLU  19  -6.920   5.666  -1.504
 3608   1HB   GLU  19          2HB       GLU  19  -9.470   5.464  -0.990
 3609   2HB   GLU  19          1HB       GLU  19  -8.931   4.900   0.586
 3610   1HG   GLU  19          2HG       GLU  19  -9.149   7.118   1.018
 3611   2HG   GLU  19          1HG       GLU  19  -7.465   7.082   0.494
 3612    H    CYS  20           H        CYS  20  -5.096   3.859  -1.217
 3613    HA   CYS  20           HA       CYS  20  -4.564   3.768   1.672
 3614   1HB   CYS  20          2HB       CYS  20  -4.679   1.540  -0.236
 3615   2HB   CYS  20          1HB       CYS  20  -3.190   1.589   0.702
 3616    H    VAL  21           H        VAL  21  -2.007   2.836   1.661
 3617    HA   VAL  21           HA       VAL  21  -0.577   4.593  -0.202
 3618    HB   VAL  21           HB       VAL  21   0.875   5.439   1.527
 3619   1HG1  VAL  21          1HG1      VAL  21  -1.670   6.231   1.129
 3620   2HG1  VAL  21          3HG1      VAL  21  -1.711   5.905   2.861
 3621   3HG1  VAL  21          2HG1      VAL  21  -0.543   7.054   2.208
 3622   1HG2  VAL  21          3HG2      VAL  21  -0.507   3.404   3.186
 3623   2HG2  VAL  21          2HG2      VAL  21   1.179   3.921   3.196
 3624   3HG2  VAL  21          1HG2      VAL  21  -0.052   4.917   3.972
 3625    H    CYS  22           H        CYS  22   1.668   4.146  -0.405
 3626    HA   CYS  22           HA       CYS  22   2.265   1.288  -0.197
 3627   1HB   CYS  22          2HB       CYS  22   3.201   3.493  -1.999
 3628   2HB   CYS  22          1HB       CYS  22   4.232   2.098  -1.770
 3629    H    LEU  23           H        LEU  23   3.911   0.534   1.037
 3630    HA   LEU  23           HA       LEU  23   5.313   2.502   2.690
 3631   1HB   LEU  23          2HB       LEU  23   5.150  -0.484   3.071
 3632   2HB   LEU  23          1HB       LEU  23   5.740   0.698   4.225
 3633    HG   LEU  23           HG       LEU  23   2.926   0.941   3.269
 3634   1HD1  LEU  23          2HD1      LEU  23   3.971  -1.408   4.555
 3635   2HD1  LEU  23          1HD1      LEU  23   2.824  -0.583   5.611
 3636   3HD1  LEU  23          3HD1      LEU  23   2.335  -1.071   3.988
 3637   1HD2  LEU  23          1HD2      LEU  23   4.152   2.565   4.808
 3638   2HD2  LEU  23          3HD2      LEU  23   2.574   1.986   5.338
 3639   3HD2  LEU  23          2HD2      LEU  23   4.043   1.302   6.033
 3640    H    GLU  24           H        GLU  24   7.506   2.582   2.900
 3641    HA   GLU  24           HA       GLU  24   9.087   2.039   0.685
 3642   1HB   GLU  24          2HB       GLU  24  11.024   2.391   2.314
 3643   2HB   GLU  24          1HB       GLU  24   9.864   3.701   2.151
 3644   1HG   GLU  24          2HG       GLU  24   8.881   2.108   4.218
 3645   2HG   GLU  24          1HG       GLU  24  10.620   2.196   4.481
 3646    H    HIS  25           H        HIS  25   8.846   0.205   3.733
 3647    HA   HIS  25           HA       HIS  25  10.796  -1.698   3.188
 3648   1HB   HIS  25          2HB       HIS  25   9.097  -3.222   4.595
 3649   2HB   HIS  25          1HB       HIS  25  10.112  -1.993   5.337
 3650    HD1  HIS  25          1HD       HIS  25   8.933   0.186   6.135
 3651    HD2  HIS  25          2HD       HIS  25   6.363  -2.730   4.668
 3652    HE1  HIS  25          1HE       HIS  25   6.636   0.878   6.884
 3653    HE2  HIS  25          2HE       HIS  25   5.118  -0.972   6.100
 3654    H    GLY  26           H        GLY  26   7.630  -1.324   1.858
 3655   1HA   GLY  26          1HA       GLY  26   8.086  -3.770   0.275
 3656   2HA   GLY  26          2HA       GLY  26   7.279  -2.330  -0.323
 3657    H    TYR  27           H        TYR  27   5.285  -1.716   1.100
 3658    HA   TYR  27           HA       TYR  27   3.461  -3.891   0.887
 3659   1HB   TYR  27          2HB       TYR  27   4.426  -3.080   3.604
 3660   2HB   TYR  27          1HB       TYR  27   2.775  -3.648   3.394
 3661    HD1  TYR  27          1HD       TYR  27   3.116  -5.787   1.408
 3662    HD2  TYR  27          2HD       TYR  27   5.522  -4.767   4.764
 3663    HE1  TYR  27          1HE       TYR  27   3.905  -8.112   1.541
 3664    HE2  TYR  27          2HE       TYR  27   6.319  -7.088   4.906
 3665    HH   TYR  27           HH       TYR  27   4.874  -9.640   3.136
 3666    H    CYS  28           H        CYS  28   1.346  -3.211   0.836
 3667    HA   CYS  28           HA       CYS  28   0.957  -0.306   0.895
 3668   1HB   CYS  28          2HB       CYS  28  -0.072  -2.474  -0.738
 3669   2HB   CYS  28          1HB       CYS  28  -1.381  -1.500  -0.081
 3670    H    GLY  29           H        GLY  29   0.076   0.556   2.650
 3671   1HA   GLY  29          1HA       GLY  29  -0.726   0.205   4.916
 3672   2HA   GLY  29          2HA       GLY  29  -1.691  -1.130   4.305
 3673    H1   ARG   1          3HT       ARG   1 -10.965   4.956   4.127
 3674    H2   ARG   1          2HT       ARG   1 -10.079   6.306   3.546
 3675    H3   ARG   1          1HT       ARG   1 -10.834   5.233   2.441
 3676    HA   ARG   1           HA       ARG   1  -8.617   4.687   2.392
 3677   1HB   ARG   1          2HB       ARG   1  -7.399   4.221   4.552
 3678   2HB   ARG   1          1HB       ARG   1  -7.843   5.904   4.293
 3679   1HG   ARG   1          2HG       ARG   1  -9.794   5.587   5.765
 3680   2HG   ARG   1          1HG       ARG   1  -9.266   3.930   6.066
 3681   1HD   ARG   1          2HD       ARG   1  -7.107   4.855   6.913
 3682   2HD   ARG   1          1HD       ARG   1  -7.800   6.469   6.765
 3683    HE   ARG   1           HE       ARG   1  -9.602   5.135   8.294
 3684   1HH1  ARG   1          1HH1      ARG   1  -6.158   5.649   8.521
 3685   2HH1  ARG   1          2HH1      ARG   1  -6.137   5.587  10.251
 3686   1HH2  ARG   1          1HH2      ARG   1  -9.576   5.053  10.570
 3687   2HH2  ARG   1          2HH2      ARG   1  -8.077   5.248  11.415
 3688    H    VAL   2           H        VAL   2 -10.550   3.120   1.744
 3689    HA   VAL   2           HA       VAL   2 -10.323   0.667   3.358
 3690    HB   VAL   2           HB       VAL   2 -12.430   1.267   1.282
 3691   1HG1  VAL   2          1HG1      VAL   2 -11.823  -1.134   2.004
 3692   2HG1  VAL   2          3HG1      VAL   2 -12.626  -0.716   3.518
 3693   3HG1  VAL   2          2HG1      VAL   2 -13.521  -0.655   1.999
 3694   1HG2  VAL   2          2HG2      VAL   2 -12.330   1.870   4.207
 3695   2HG2  VAL   2          1HG2      VAL   2 -12.930   2.861   2.877
 3696   3HG2  VAL   2          3HG2      VAL   2 -13.869   1.478   3.441
 3697    H    CYS   3           H        CYS   3  -8.532  -0.315   2.517
 3698    HA   CYS   3           HA       CYS   3  -8.654  -1.002  -0.344
 3699   1HB   CYS   3          2HB       CYS   3  -6.280  -0.855  -0.524
 3700   2HB   CYS   3          1HB       CYS   3  -6.820   0.624   0.261
 3701    HA   PRO   4           HA       PRO   4  -9.023  -5.235   0.989
 3702   1HB   PRO   4          2HB       PRO   4  -7.384  -5.661  -1.475
 3703   2HB   PRO   4          1HB       PRO   4  -8.854  -6.487  -0.948
 3704   1HG   PRO   4          2HG       PRO   4  -8.967  -4.643  -2.854
 3705   2HG   PRO   4          1HG       PRO   4 -10.233  -4.737  -1.614
 3706   1HD   PRO   4          2HD       PRO   4  -8.005  -2.778  -1.905
 3707   2HD   PRO   4          1HD       PRO   4  -9.647  -2.538  -1.274
 3708    H    ARG   5           H        ARG   5  -7.704  -6.921   1.800
 3709    HA   ARG   5           HA       ARG   5  -5.111  -6.030   2.694
 3710   1HB   ARG   5          2HB       ARG   5  -5.075  -8.117   3.992
 3711   2HB   ARG   5          1HB       ARG   5  -6.563  -7.219   4.248
 3712   1HG   ARG   5          2HG       ARG   5  -7.533  -8.759   2.411
 3713   2HG   ARG   5          1HG       ARG   5  -6.135  -9.777   2.762
 3714   1HD   ARG   5          2HD       ARG   5  -6.984 -10.469   4.715
 3715   2HD   ARG   5          1HD       ARG   5  -7.547  -8.856   5.149
 3716    HE   ARG   5           HE       ARG   5  -9.064 -10.944   3.868
 3717   1HH1  ARG   5          1HH1      ARG   5  -8.820  -7.513   4.457
 3718   2HH1  ARG   5          2HH1      ARG   5 -10.506  -7.222   4.195
 3719   1HH2  ARG   5          1HH2      ARG   5 -11.282 -10.562   3.523
 3720   2HH2  ARG   5          2HH2      ARG   5 -11.904  -8.952   3.665
 3721    H    ILE   6           H        ILE   6  -4.110  -5.919   0.593
 3722    HA   ILE   6           HA       ILE   6  -3.107  -8.545  -0.281
 3723    HB   ILE   6           HB       ILE   6  -3.661  -6.255  -2.164
 3724   1HG1  ILE   6          2HG1      ILE   6  -5.762  -7.155  -1.203
 3725   2HG1  ILE   6          1HG1      ILE   6  -5.615  -7.485  -2.926
 3726   1HG2  ILE   6          1HG2      ILE   6  -1.880  -8.025  -2.664
 3727   2HG2  ILE   6          3HG2      ILE   6  -3.233  -9.137  -2.870
 3728   3HG2  ILE   6          2HG2      ILE   6  -3.098  -7.712  -3.900
 3729   1HD1  ILE   6          3HD1      ILE   6  -4.644  -9.561  -1.056
 3730   2HD1  ILE   6          2HD1      ILE   6  -6.387  -9.322  -1.185
 3731   3HD1  ILE   6          1HD1      ILE   6  -5.442  -9.722  -2.620
 3732    H    LEU   7           H        LEU   7  -0.978  -8.679  -0.103
 3733    HA   LEU   7           HA       LEU   7   0.678  -6.588   0.711
 3734   1HB   LEU   7          2HB       LEU   7   1.454  -9.131  -0.718
 3735   2HB   LEU   7          1HB       LEU   7   2.549  -8.090   0.171
 3736    HG   LEU   7           HG       LEU   7   0.205  -9.509   1.432
 3737   1HD1  LEU   7          2HD1      LEU   7   2.930 -10.429   0.792
 3738   2HD1  LEU   7          1HD1      LEU   7   2.359 -10.767   2.427
 3739   3HD1  LEU   7          3HD1      LEU   7   1.444 -11.348   1.035
 3740   1HD2  LEU   7          2HD2      LEU   7   1.692  -7.377   2.338
 3741   2HD2  LEU   7          1HD2      LEU   7   0.758  -8.489   3.338
 3742   3HD2  LEU   7          3HD2      LEU   7   2.481  -8.765   3.087
 3743    H    LEU   8           H        LEU   8   2.030  -5.184  -0.327
 3744    HA   LEU   8           HA       LEU   8   2.600  -5.365  -3.121
 3745   1HB   LEU   8          2HB       LEU   8   0.150  -4.306  -2.628
 3746   2HB   LEU   8          1HB       LEU   8   1.139  -2.859  -2.586
 3747    HG   LEU   8           HG       LEU   8   2.027  -4.060  -4.878
 3748   1HD1  LEU   8          3HD1      LEU   8  -0.775  -4.911  -4.366
 3749   2HD1  LEU   8          2HD1      LEU   8  -0.322  -4.445  -6.006
 3750   3HD1  LEU   8          1HD1      LEU   8   0.533  -5.757  -5.194
 3751   1HD2  LEU   8          2HD2      LEU   8  -0.217  -2.079  -4.524
 3752   2HD2  LEU   8          1HD2      LEU   8   1.504  -1.718  -4.662
 3753   3HD2  LEU   8          3HD2      LEU   8   0.629  -2.383  -6.041
 3754    H    GLU   9           H        GLU   9   4.612  -4.650  -3.245
 3755    HA   GLU   9           HA       GLU   9   5.543  -2.651  -1.316
 3756   1HB   GLU   9          2HB       GLU   9   7.816  -3.361  -2.032
 3757   2HB   GLU   9          1HB       GLU   9   6.854  -4.674  -1.366
 3758   1HG   GLU   9          2HG       GLU   9   6.897  -5.831  -3.272
 3759   2HG   GLU   9          1HG       GLU   9   6.615  -4.399  -4.261
 3760    H    CYS  10           H        CYS  10   6.086  -0.640  -1.895
 3761    HA   CYS  10           HA       CYS  10   6.833  -0.017  -4.621
 3762   1HB   CYS  10          2HB       CYS  10   4.858   1.927  -3.994
 3763   2HB   CYS  10          1HB       CYS  10   4.855   0.760  -5.311
 3764    H    LYS  11           H        LYS  11   7.457   2.287  -4.860
 3765    HA   LYS  11           HA       LYS  11   8.934   3.130  -2.516
 3766   1HB   LYS  11          2HB       LYS  11   8.928   3.840  -5.411
 3767   2HB   LYS  11          1HB       LYS  11   9.560   5.023  -4.273
 3768   1HG   LYS  11          2HG       LYS  11  11.465   3.910  -4.043
 3769   2HG   LYS  11          1HG       LYS  11  10.622   2.388  -3.749
 3770   1HD   LYS  11          2HD       LYS  11  10.836   3.507  -6.519
 3771   2HD   LYS  11          1HD       LYS  11  12.168   2.589  -5.814
 3772   1HE   LYS  11          2HE       LYS  11   9.518   1.353  -5.531
 3773   2HE   LYS  11          1HE       LYS  11  10.096   1.498  -7.190
 3774   1HZ   LYS  11          1HZ       LYS  11  11.646   0.264  -4.979
 3775   2HZ   LYS  11          3HZ       LYS  11  10.734  -0.606  -6.107
 3776   3HZ   LYS  11          2HZ       LYS  11  12.070   0.297  -6.615
 3777    H    LYS  12           H        LYS  12   6.905   4.925  -4.837
 3778    HA   LYS  12           HA       LYS  12   6.323   6.940  -2.856
 3779   1HB   LYS  12          2HB       LYS  12   6.649   7.544  -5.221
 3780   2HB   LYS  12          1HB       LYS  12   5.246   6.581  -5.660
 3781   1HG   LYS  12          2HG       LYS  12   4.028   8.416  -5.428
 3782   2HG   LYS  12          1HG       LYS  12   4.315   8.306  -3.691
 3783   1HD   LYS  12          2HD       LYS  12   6.622   9.477  -4.780
 3784   2HD   LYS  12          1HD       LYS  12   5.259  10.262  -5.579
 3785   1HE   LYS  12          2HE       LYS  12   5.889  11.462  -3.555
 3786   2HE   LYS  12          1HE       LYS  12   4.274  10.774  -3.402
 3787   1HZ   LYS  12          1HZ       LYS  12   6.528   9.183  -2.434
 3788   2HZ   LYS  12          3HZ       LYS  12   6.067  10.526  -1.514
 3789   3HZ   LYS  12          2HZ       LYS  12   4.951   9.296  -1.834
 3790    H    ASP  13           H        ASP  13   4.531   7.114  -1.631
 3791    HA   ASP  13           HA       ASP  13   2.873   4.947  -1.182
 3792   1HB   ASP  13          2HB       ASP  13   2.157   7.819  -0.602
 3793   2HB   ASP  13          1HB       ASP  13   1.523   6.392   0.199
 3794    H    SER  14           H        SER  14   2.470   7.636  -3.368
 3795    HA   SER  14           HA       SER  14  -0.220   7.391  -4.004
 3796   1HB   SER  14          2HB       SER  14   1.420   9.175  -4.789
 3797   2HB   SER  14          1HB       SER  14   1.928   8.028  -6.029
 3798    H    ASP  15           H        ASP  15   2.533   5.489  -5.044
 3799    HA   ASP  15           HA       ASP  15   1.540   4.181  -7.251
 3800   1HB   ASP  15          2HB       ASP  15   3.813   3.987  -5.808
 3801   2HB   ASP  15          1HB       ASP  15   3.023   2.486  -5.333
 3802    H    CYS  16           H        CYS  16   0.804   3.592  -3.865
 3803    HA   CYS  16           HA       CYS  16  -0.309   1.093  -3.944
 3804   1HB   CYS  16          2HB       CYS  16  -0.096   2.852  -1.999
 3805   2HB   CYS  16          1HB       CYS  16  -1.758   3.200  -2.395
 3806    H    LEU  17           H        LEU  17  -2.724   0.643  -3.646
 3807    HA   LEU  17           HA       LEU  17  -4.133   1.829  -5.943
 3808   1HB   LEU  17          2HB       LEU  17  -5.369  -0.263  -6.108
 3809   2HB   LEU  17          1HB       LEU  17  -3.640  -0.539  -6.213
 3810    HG   LEU  17           HG       LEU  17  -3.932  -0.969  -3.599
 3811   1HD1  LEU  17          1HD1      LEU  17  -6.633  -1.531  -4.795
 3812   2HD1  LEU  17          3HD1      LEU  17  -6.060  -2.288  -3.310
 3813   3HD1  LEU  17          2HD1      LEU  17  -6.247  -0.536  -3.391
 3814   1HD2  LEU  17          3HD2      LEU  17  -4.431  -2.863  -5.880
 3815   2HD2  LEU  17          2HD2      LEU  17  -2.935  -2.594  -4.985
 3816   3HD2  LEU  17          1HD2      LEU  17  -4.295  -3.403  -4.207
 3817    H    ALA  18           H        ALA  18  -6.592   1.615  -5.742
 3818    HA   ALA  18           HA       ALA  18  -8.466   2.459  -4.763
 3819   1HB   ALA  18          2HB       ALA  18  -8.367   0.237  -3.724
 3820   2HB   ALA  18           3HB      ALA  18  -9.095   1.431  -2.649
 3821   3HB   ALA  18          1HB       ALA  18  -7.430   0.908  -2.389
 3822    H    GLU  19           H        GLU  19  -7.975   2.684  -1.529
 3823    HA   GLU  19           HA       GLU  19  -6.881   5.408  -1.718
 3824   1HB   GLU  19          2HB       GLU  19  -9.473   4.945  -1.217
 3825   2HB   GLU  19          1HB       GLU  19  -8.851   4.794   0.420
 3826   1HG   GLU  19          2HG       GLU  19  -7.648   7.091  -0.488
 3827   2HG   GLU  19          1HG       GLU  19  -9.252   7.160  -1.216
 3828    H    CYS  20           H        CYS  20  -5.068   3.557  -1.243
 3829    HA   CYS  20           HA       CYS  20  -4.612   3.728   1.658
 3830   1HB   CYS  20          2HB       CYS  20  -4.689   1.371  -0.051
 3831   2HB   CYS  20          1HB       CYS  20  -3.154   1.515   0.798
 3832    H    VAL  21           H        VAL  21  -2.024   2.801   1.748
 3833    HA   VAL  21           HA       VAL  21  -0.586   4.561  -0.113
 3834    HB   VAL  21           HB       VAL  21   0.849   5.393   1.642
 3835   1HG1  VAL  21          3HG1      VAL  21  -2.085   5.663   2.281
 3836   2HG1  VAL  21          2HG1      VAL  21  -0.819   6.686   2.959
 3837   3HG1  VAL  21          1HG1      VAL  21  -1.123   6.692   1.221
 3838   1HG2  VAL  21          2HG2      VAL  21   0.800   3.389   3.081
 3839   2HG2  VAL  21          1HG2      VAL  21   0.495   4.872   3.985
 3840   3HG2  VAL  21          3HG2      VAL  21  -0.843   3.800   3.571
 3841    H    CYS  22           H        CYS  22   1.658   4.129  -0.313
 3842    HA   CYS  22           HA       CYS  22   2.283   1.276  -0.114
 3843   1HB   CYS  22          2HB       CYS  22   3.221   3.498  -1.898
 3844   2HB   CYS  22          1HB       CYS  22   4.241   2.094  -1.682
 3845    H    LEU  23           H        LEU  23   3.943   0.530   1.104
 3846    HA   LEU  23           HA       LEU  23   5.327   2.495   2.777
 3847   1HB   LEU  23          2HB       LEU  23   5.273  -0.492   3.147
 3848   2HB   LEU  23          1HB       LEU  23   5.726   0.727   4.322
 3849    HG   LEU  23           HG       LEU  23   2.949   0.778   3.237
 3850   1HD1  LEU  23          3HD1      LEU  23   4.110  -1.465   4.666
 3851   2HD1  LEU  23          2HD1      LEU  23   2.758  -0.741   5.536
 3852   3HD1  LEU  23          1HD1      LEU  23   2.538  -1.312   3.883
 3853   1HD2  LEU  23          1HD2      LEU  23   4.167   1.366   5.932
 3854   2HD2  LEU  23          3HD2      LEU  23   3.695   2.553   4.716
 3855   3HD2  LEU  23          2HD2      LEU  23   2.467   1.567   5.509
 3856    H    GLU  24           H        GLU  24   7.525   2.596   2.975
 3857    HA   GLU  24           HA       GLU  24   9.098   2.096   0.747
 3858   1HB   GLU  24          2HB       GLU  24  11.041   2.410   2.395
 3859   2HB   GLU  24          1HB       GLU  24   9.897   3.732   2.214
 3860   1HG   GLU  24          2HG       GLU  24   8.917   2.087   4.278
 3861   2HG   GLU  24          1HG       GLU  24  10.643   2.302   4.564
 3862    H    HIS  25           H        HIS  25   8.856   0.201   3.751
 3863    HA   HIS  25           HA       HIS  25  10.822  -1.680   3.171
 3864   1HB   HIS  25          2HB       HIS  25   9.111  -3.232   4.554
 3865   2HB   HIS  25          1HB       HIS  25  10.157  -2.039   5.312
 3866    HD1  HIS  25          1HD       HIS  25   9.015   0.198   6.089
 3867    HD2  HIS  25          2HD       HIS  25   6.400  -2.746   4.764
 3868    HE1  HIS  25          1HE       HIS  25   6.745   0.901   6.905
 3869    HE2  HIS  25          2HE       HIS  25   5.206  -0.969   6.215
 3870    H    GLY  26           H        GLY  26   7.659  -1.292   1.846
 3871   1HA   GLY  26          1HA       GLY  26   8.121  -3.710   0.224
 3872   2HA   GLY  26          2HA       GLY  26   7.303  -2.267  -0.347
 3873    H    TYR  27           H        TYR  27   5.293  -1.694   1.040
 3874    HA   TYR  27           HA       TYR  27   3.504  -3.898   0.824
 3875   1HB   TYR  27          2HB       TYR  27   4.429  -3.053   3.546
 3876   2HB   TYR  27          1HB       TYR  27   2.789  -3.650   3.323
 3877    HD1  TYR  27          1HD       TYR  27   3.185  -5.794   1.352
 3878    HD2  TYR  27          2HD       TYR  27   5.538  -4.716   4.729
 3879    HE1  TYR  27          1HE       TYR  27   4.012  -8.105   1.508
 3880    HE2  TYR  27          2HE       TYR  27   6.371  -7.024   4.894
 3881    HH   TYR  27           HH       TYR  27   5.768  -9.253   4.223
 3882    H    CYS  28           H        CYS  28   1.373  -3.254   0.769
 3883    HA   CYS  28           HA       CYS  28   0.942  -0.353   0.785
 3884   1HB   CYS  28          2HB       CYS  28  -0.053  -2.560  -0.817
 3885   2HB   CYS  28          1HB       CYS  28  -1.379  -1.601  -0.172
 3886    H    GLY  29           H        GLY  29   0.147   0.473   2.603
 3887   1HA   GLY  29          1HA       GLY  29  -0.642  -0.256   4.898
 3888   2HA   GLY  29          2HA       GLY  29  -1.941  -1.057   4.026
 3889    H1   ARG   1          2HT       ARG   1 -11.926   3.692  -0.459
 3890    H2   ARG   1          1HT       ARG   1 -13.277   2.651  -0.267
 3891    H3   ARG   1          3HT       ARG   1 -13.506   4.348  -0.334
 3892    HA   ARG   1           HA       ARG   1 -12.479   4.677   1.705
 3893   1HB   ARG   1          2HB       ARG   1 -14.753   3.005   1.305
 3894   2HB   ARG   1          1HB       ARG   1 -13.898   2.414   2.723
 3895   1HG   ARG   1          2HG       ARG   1 -13.906   4.812   3.548
 3896   2HG   ARG   1          1HG       ARG   1 -15.062   5.140   2.257
 3897   1HD   ARG   1          2HD       ARG   1 -16.144   2.920   3.393
 3898   2HD   ARG   1          1HD       ARG   1 -15.416   3.704   4.793
 3899    HE   ARG   1           HE       ARG   1 -16.760   5.714   3.563
 3900   1HH1  ARG   1          1HH1      ARG   1 -17.667   2.534   4.679
 3901   2HH1  ARG   1          2HH1      ARG   1 -19.305   2.984   5.016
 3902   1HH2  ARG   1          1HH2      ARG   1 -18.914   6.306   4.006
 3903   2HH2  ARG   1          2HH2      ARG   1 -20.013   5.125   4.633
 3904    H    VAL   2           H        VAL   2 -12.687   1.127   1.443
 3905    HA   VAL   2           HA       VAL   2 -10.071   0.967   2.787
 3906    HB   VAL   2           HB       VAL   2 -10.742  -1.354   3.408
 3907   1HG1  VAL   2          2HG1      VAL   2 -10.990   0.478   4.991
 3908   2HG1  VAL   2          1HG1      VAL   2 -12.588   0.842   4.341
 3909   3HG1  VAL   2          3HG1      VAL   2 -12.303  -0.685   5.176
 3910   1HG2  VAL   2          2HG2      VAL   2 -12.626  -1.134   1.481
 3911   2HG2  VAL   2          1HG2      VAL   2 -12.691  -2.306   2.796
 3912   3HG2  VAL   2          3HG2      VAL   2 -13.590  -0.794   2.919
 3913    H    CYS   3           H        CYS   3  -8.437  -0.234   1.921
 3914    HA   CYS   3           HA       CYS   3  -8.840  -1.145  -0.832
 3915   1HB   CYS   3          2HB       CYS   3  -6.486  -0.907  -1.152
 3916   2HB   CYS   3          1HB       CYS   3  -7.033   0.530  -0.296
 3917    HA   PRO   4           HA       PRO   4  -9.052  -5.451   0.256
 3918   1HB   PRO   4          2HB       PRO   4  -7.233  -5.600  -2.123
 3919   2HB   PRO   4          1HB       PRO   4  -8.628  -6.606  -1.715
 3920   1HG   PRO   4          2HG       PRO   4  -8.843  -4.652  -3.514
 3921   2HG   PRO   4          1HG       PRO   4 -10.156  -4.990  -2.371
 3922   1HD   PRO   4          2HD       PRO   4  -8.254  -2.720  -2.441
 3923   2HD   PRO   4          1HD       PRO   4  -9.890  -2.803  -1.761
 3924    H    ARG   5           H        ARG   5  -7.893  -6.579   1.687
 3925    HA   ARG   5           HA       ARG   5  -5.313  -5.771   2.501
 3926   1HB   ARG   5          2HB       ARG   5  -5.369  -7.873   3.875
 3927   2HB   ARG   5          1HB       ARG   5  -6.745  -6.806   4.109
 3928   1HG   ARG   5          2HG       ARG   5  -8.216  -8.263   3.177
 3929   2HG   ARG   5          1HG       ARG   5  -7.013  -8.950   2.083
 3930   1HD   ARG   5          2HD       ARG   5  -7.103  -9.425   5.060
 3931   2HD   ARG   5          1HD       ARG   5  -7.763 -10.521   3.850
 3932    HE   ARG   5           HE       ARG   5  -5.586 -11.066   3.173
 3933   1HH1  ARG   5          1HH1      ARG   5  -5.580  -8.757   5.801
 3934   2HH1  ARG   5          2HH1      ARG   5  -3.920  -9.037   6.200
 3935   1HH2  ARG   5          1HH2      ARG   5  -3.406 -11.424   3.704
 3936   2HH2  ARG   5          2HH2      ARG   5  -2.687 -10.546   5.013
 3937    H    ILE   6           H        ILE   6  -4.176  -5.831   0.462
 3938    HA   ILE   6           HA       ILE   6  -3.102  -8.511  -0.096
 3939    HB   ILE   6           HB       ILE   6  -4.657  -7.912  -1.901
 3940   1HG1  ILE   6          2HG1      ILE   6  -2.981  -8.074  -3.803
 3941   2HG1  ILE   6          1HG1      ILE   6  -1.715  -7.942  -2.587
 3942   1HG2  ILE   6          1HG2      ILE   6  -4.067  -5.382  -1.546
 3943   2HG2  ILE   6          3HG2      ILE   6  -2.866  -5.708  -2.796
 3944   3HG2  ILE   6          2HG2      ILE   6  -4.577  -5.977  -3.126
 3945   1HD1  ILE   6          3HD1      ILE   6  -3.516  -9.966  -1.760
 3946   2HD1  ILE   6          2HD1      ILE   6  -3.105 -10.246  -3.452
 3947   3HD1  ILE   6          1HD1      ILE   6  -1.827 -10.119  -2.243
 3948    H    LEU   7           H        LEU   7  -0.984  -8.568   0.225
 3949    HA   LEU   7           HA       LEU   7   0.599  -6.409   0.933
 3950   1HB   LEU   7          2HB       LEU   7   1.456  -9.018  -0.319
 3951   2HB   LEU   7          1HB       LEU   7   2.529  -7.894   0.493
 3952    HG   LEU   7           HG       LEU   7   0.288  -9.475   1.753
 3953   1HD1  LEU   7          2HD1      LEU   7   3.185  -9.835   1.482
 3954   2HD1  LEU   7          1HD1      LEU   7   2.568 -10.029   3.123
 3955   3HD1  LEU   7          3HD1      LEU   7   1.916 -11.014   1.815
 3956   1HD2  LEU   7          1HD2      LEU   7   0.420  -7.246   2.739
 3957   2HD2  LEU   7          3HD2      LEU   7   0.997  -8.475   3.866
 3958   3HD2  LEU   7          2HD2      LEU   7   2.151  -7.459   3.003
 3959    H    LEU   8           H        LEU   8   1.954  -5.021  -0.133
 3960    HA   LEU   8           HA       LEU   8   2.555  -5.339  -2.923
 3961   1HB   LEU   8          2HB       LEU   8   0.156  -4.086  -2.334
 3962   2HB   LEU   8          1HB       LEU   8   1.261  -2.749  -2.591
 3963    HG   LEU   8           HG       LEU   8   1.859  -4.237  -4.754
 3964   1HD1  LEU   8          2HD1      LEU   8  -1.038  -4.797  -4.149
 3965   2HD1  LEU   8          1HD1      LEU   8  -0.261  -5.070  -5.708
 3966   3HD1  LEU   8          3HD1      LEU   8   0.262  -5.980  -4.290
 3967   1HD2  LEU   8          1HD2      LEU   8  -0.003  -2.013  -4.208
 3968   2HD2  LEU   8          3HD2      LEU   8   1.378  -2.100  -5.303
 3969   3HD2  LEU   8          2HD2      LEU   8  -0.168  -2.805  -5.776
 3970    H    GLU   9           H        GLU   9   4.564  -4.647  -3.140
 3971    HA   GLU   9           HA       GLU   9   5.601  -2.654  -1.259
 3972   1HB   GLU   9          2HB       GLU   9   7.820  -3.439  -1.933
 3973   2HB   GLU   9          1HB       GLU   9   6.817  -4.775  -1.385
 3974   1HG   GLU   9          2HG       GLU   9   6.324  -4.766  -4.066
 3975   2HG   GLU   9          1HG       GLU   9   8.013  -4.264  -3.999
 3976    H    CYS  10           H        CYS  10   6.134  -0.654  -1.881
 3977    HA   CYS  10           HA       CYS  10   6.870  -0.081  -4.618
 3978   1HB   CYS  10          2HB       CYS  10   4.874   1.861  -4.040
 3979   2HB   CYS  10          1HB       CYS  10   4.897   0.677  -5.341
 3980    H    LYS  11           H        LYS  11   7.440   2.247  -4.904
 3981    HA   LYS  11           HA       LYS  11   8.915   3.146  -2.576
 3982   1HB   LYS  11          2HB       LYS  11   8.890   3.842  -5.485
 3983   2HB   LYS  11          1HB       LYS  11   9.567   4.994  -4.342
 3984   1HG   LYS  11          2HG       LYS  11  11.479   3.889  -4.479
 3985   2HG   LYS  11          1HG       LYS  11  10.697   2.546  -3.643
 3986   1HD   LYS  11          2HD       LYS  11   9.830   1.988  -6.071
 3987   2HD   LYS  11          1HD       LYS  11  11.251   2.920  -6.546
 3988   1HE   LYS  11          2HE       LYS  11  12.504   1.407  -4.859
 3989   2HE   LYS  11          1HE       LYS  11  11.098   0.355  -5.011
 3990   1HZ   LYS  11          1HZ       LYS  11  11.645   0.818  -7.571
 3991   2HZ   LYS  11          3HZ       LYS  11  13.206   0.919  -6.925
 3992   3HZ   LYS  11          2HZ       LYS  11  12.289  -0.486  -6.706
 3993    H    LYS  12           H        LYS  12   6.879   4.874  -4.944
 3994    HA   LYS  12           HA       LYS  12   6.278   6.930  -3.013
 3995   1HB   LYS  12          2HB       LYS  12   6.596   7.488  -5.385
 3996   2HB   LYS  12          1HB       LYS  12   5.214   6.489  -5.810
 3997   1HG   LYS  12          2HG       LYS  12   3.752   8.090  -5.289
 3998   2HG   LYS  12          1HG       LYS  12   4.600   8.508  -3.799
 3999   1HD   LYS  12          2HD       LYS  12   5.936  10.066  -4.837
 4000   2HD   LYS  12          1HD       LYS  12   5.816   9.277  -6.410
 4001   1HE   LYS  12          2HE       LYS  12   3.513  10.038  -6.632
 4002   2HE   LYS  12          1HE       LYS  12   3.593  10.785  -5.037
 4003   1HZ   LYS  12          2HZ       LYS  12   5.407  12.203  -5.906
 4004   2HZ   LYS  12          1HZ       LYS  12   5.142  11.561  -7.448
 4005   3HZ   LYS  12          3HZ       LYS  12   3.928  12.458  -6.684
 4006    H    ASP  13           H        ASP  13   4.524   7.071  -1.747
 4007    HA   ASP  13           HA       ASP  13   2.871   4.916  -1.272
 4008   1HB   ASP  13          2HB       ASP  13   2.157   7.790  -0.703
 4009   2HB   ASP  13          1HB       ASP  13   1.536   6.367   0.117
 4010    H    SER  14           H        SER  14   2.427   7.587  -3.475
 4011    HA   SER  14           HA       SER  14  -0.265   7.361  -4.067
 4012   1HB   SER  14          2HB       SER  14   1.385   9.089  -4.939
 4013   2HB   SER  14          1HB       SER  14   1.858   7.896  -6.148
 4014    H    ASP  15           H        ASP  15   2.424   5.369  -5.110
 4015    HA   ASP  15           HA       ASP  15   1.318   4.022  -7.251
 4016   1HB   ASP  15          2HB       ASP  15   3.647   3.833  -5.814
 4017   2HB   ASP  15          1HB       ASP  15   2.868   2.296  -5.454
 4018    H    CYS  16           H        CYS  16   0.751   3.524  -3.815
 4019    HA   CYS  16           HA       CYS  16  -0.347   1.029  -3.738
 4020   1HB   CYS  16          2HB       CYS  16  -0.131   2.912  -1.895
 4021   2HB   CYS  16          1HB       CYS  16  -1.813   3.168  -2.261
 4022    H    LEU  17           H        LEU  17  -2.713   0.527  -3.364
 4023    HA   LEU  17           HA       LEU  17  -4.218   1.515  -5.685
 4024   1HB   LEU  17          2HB       LEU  17  -5.455  -0.551  -5.616
 4025   2HB   LEU  17          1HB       LEU  17  -3.738  -0.902  -5.618
 4026    HG   LEU  17           HG       LEU  17  -4.426  -0.805  -2.913
 4027   1HD1  LEU  17          2HD1      LEU  17  -6.614  -1.980  -4.577
 4028   2HD1  LEU  17          1HD1      LEU  17  -6.239  -2.656  -2.992
 4029   3HD1  LEU  17          3HD1      LEU  17  -6.720  -0.966  -3.137
 4030   1HD2  LEU  17          3HD2      LEU  17  -3.002  -2.406  -4.526
 4031   2HD2  LEU  17          2HD2      LEU  17  -3.467  -2.852  -2.885
 4032   3HD2  LEU  17          1HD2      LEU  17  -4.409  -3.435  -4.257
 4033    H    ALA  18           H        ALA  18  -6.536   1.816  -5.458
 4034    HA   ALA  18           HA       ALA  18  -8.272   2.927  -4.470
 4035   1HB   ALA  18          2HB       ALA  18  -8.317   0.536  -3.505
 4036   2HB   ALA  18          1HB       ALA  18  -7.740   1.285  -2.016
 4037   3HB   ALA  18           3HB      ALA  18  -9.284   1.778  -2.711
 4038    H    GLU  19           H        GLU  19  -8.554   3.351  -1.539
 4039    HA   GLU  19           HA       GLU  19  -6.885   5.727  -1.393
 4040   1HB   GLU  19          2HB       GLU  19  -9.478   5.349  -0.757
 4041   2HB   GLU  19          1HB       GLU  19  -8.746   5.077   0.818
 4042   1HG   GLU  19          2HG       GLU  19  -9.449   7.398   0.507
 4043   2HG   GLU  19          1HG       GLU  19  -7.710   7.257   0.756
 4044    H    CYS  20           H        CYS  20  -5.100   3.854  -1.186
 4045    HA   CYS  20           HA       CYS  20  -4.531   3.669   1.692
 4046   1HB   CYS  20          2HB       CYS  20  -4.548   1.519  -0.357
 4047   2HB   CYS  20          1HB       CYS  20  -3.213   1.502   0.790
 4048    H    VAL  21           H        VAL  21  -1.993   2.771   1.685
 4049    HA   VAL  21           HA       VAL  21  -0.553   4.528  -0.175
 4050    HB   VAL  21           HB       VAL  21   0.894   5.367   1.568
 4051   1HG1  VAL  21          2HG1      VAL  21  -1.561   6.249   1.095
 4052   2HG1  VAL  21          1HG1      VAL  21  -1.777   5.809   2.789
 4053   3HG1  VAL  21          3HG1      VAL  21  -0.531   6.971   2.331
 4054   1HG2  VAL  21          2HG2      VAL  21   0.882   3.422   3.046
 4055   2HG2  VAL  21          1HG2      VAL  21   0.476   4.889   3.937
 4056   3HG2  VAL  21          3HG2      VAL  21  -0.795   3.751   3.484
 4057    H    CYS  22           H        CYS  22   1.679   4.087  -0.389
 4058    HA   CYS  22           HA       CYS  22   2.308   1.236  -0.163
 4059   1HB   CYS  22          2HB       CYS  22   3.225   3.443  -1.976
 4060   2HB   CYS  22          1HB       CYS  22   4.257   2.050  -1.749
 4061    H    LEU  23           H        LEU  23   4.001   0.508   1.038
 4062    HA   LEU  23           HA       LEU  23   5.370   2.502   2.687
 4063   1HB   LEU  23          2HB       LEU  23   5.201  -0.489   3.043
 4064   2HB   LEU  23          1HB       LEU  23   5.907   0.649   4.176
 4065    HG   LEU  23           HG       LEU  23   3.044   0.987   3.394
 4066   1HD1  LEU  23          3HD1      LEU  23   3.592  -1.454   4.047
 4067   2HD1  LEU  23          2HD1      LEU  23   3.785  -0.799   5.674
 4068   3HD1  LEU  23          1HD1      LEU  23   2.243  -0.636   4.834
 4069   1HD2  LEU  23          2HD2      LEU  23   4.812   1.694   5.695
 4070   2HD2  LEU  23          1HD2      LEU  23   3.722   2.717   4.759
 4071   3HD2  LEU  23          3HD2      LEU  23   3.069   1.573   5.932
 4072    H    GLU  24           H        GLU  24   7.557   2.647   2.867
 4073    HA   GLU  24           HA       GLU  24   9.128   2.165   0.636
 4074   1HB   GLU  24          2HB       GLU  24  11.071   2.550   2.257
 4075   2HB   GLU  24          1HB       GLU  24   9.879   3.832   2.100
 4076   1HG   GLU  24          2HG       GLU  24   8.966   2.176   4.169
 4077   2HG   GLU  24          1HG       GLU  24  10.697   2.381   4.428
 4078    H    HIS  25           H        HIS  25   8.952   0.274   3.656
 4079    HA   HIS  25           HA       HIS  25  10.969  -1.551   3.027
 4080   1HB   HIS  25          2HB       HIS  25   9.764  -3.098   4.621
 4081   2HB   HIS  25          1HB       HIS  25  10.181  -1.515   5.266
 4082    HD1  HIS  25          1HD       HIS  25   8.319  -0.178   6.247
 4083    HD2  HIS  25          2HD       HIS  25   6.943  -3.347   3.943
 4084    HE1  HIS  25          1HE       HIS  25   5.838  -0.261   6.634
 4085    HE2  HIS  25          2HE       HIS  25   5.060  -2.292   5.365
 4086    H    GLY  26           H        GLY  26   7.792  -1.223   1.759
 4087   1HA   GLY  26          1HA       GLY  26   8.225  -3.690   0.209
 4088   2HA   GLY  26          2HA       GLY  26   7.367  -2.275  -0.374
 4089    H    TYR  27           H        TYR  27   5.404  -1.692   1.093
 4090    HA   TYR  27           HA       TYR  27   3.614  -3.894   0.949
 4091   1HB   TYR  27          2HB       TYR  27   4.655  -3.079   3.638
 4092   2HB   TYR  27          1HB       TYR  27   3.009  -3.674   3.479
 4093    HD1  TYR  27          1HD       TYR  27   3.340  -5.799   1.462
 4094    HD2  TYR  27          2HD       TYR  27   5.798  -4.754   4.773
 4095    HE1  TYR  27          1HE       TYR  27   4.176  -8.109   1.564
 4096    HE2  TYR  27          2HE       TYR  27   6.640  -7.061   4.884
 4097    HH   TYR  27           HH       TYR  27   5.846  -9.346   4.188
 4098    H    CYS  28           H        CYS  28   1.492  -3.235   0.946
 4099    HA   CYS  28           HA       CYS  28   1.073  -0.336   1.063
 4100   1HB   CYS  28          2HB       CYS  28   0.011  -2.496  -0.571
 4101   2HB   CYS  28          1HB       CYS  28  -1.275  -1.510   0.116
 4102    H    GLY  29           H        GLY  29   0.113   0.532   2.775
 4103   1HA   GLY  29          1HA       GLY  29  -0.680   0.341   5.015
 4104   2HA   GLY  29          2HA       GLY  29  -1.353  -1.230   4.610
 4105    H1   ARG   1          3HT       ARG   1  -8.833   4.335   6.439
 4106    H2   ARG   1          2HT       ARG   1  -8.592   5.887   5.747
 4107    H3   ARG   1          1HT       ARG   1  -9.929   4.927   5.262
 4108    HA   ARG   1           HA       ARG   1  -8.260   4.878   3.604
 4109   1HB   ARG   1          2HB       ARG   1  -6.054   3.816   4.227
 4110   2HB   ARG   1          1HB       ARG   1  -6.326   5.422   4.888
 4111   1HG   ARG   1          2HG       ARG   1  -6.364   4.691   7.018
 4112   2HG   ARG   1          1HG       ARG   1  -7.164   3.175   6.597
 4113   1HD   ARG   1          2HD       ARG   1  -5.149   2.277   7.045
 4114   2HD   ARG   1          1HD       ARG   1  -4.766   2.812   5.409
 4115    HE   ARG   1           HE       ARG   1  -3.267   4.261   6.315
 4116   1HH1  ARG   1          1HH1      ARG   1  -5.646   3.504   8.753
 4117   2HH1  ARG   1          2HH1      ARG   1  -4.849   4.414   9.992
 4118   1HH2  ARG   1          1HH2      ARG   1  -2.217   5.458   7.944
 4119   2HH2  ARG   1          2HH2      ARG   1  -2.903   5.525   9.533
 4120    H    VAL   2           H        VAL   2  -9.755   3.424   2.798
 4121    HA   VAL   2           HA       VAL   2  -9.647   0.667   3.794
 4122    HB   VAL   2           HB       VAL   2 -11.879   1.675   3.604
 4123   1HG1  VAL   2          1HG1      VAL   2 -11.207   1.894   0.673
 4124   2HG1  VAL   2          3HG1      VAL   2 -12.822   2.104   1.350
 4125   3HG1  VAL   2          2HG1      VAL   2 -11.529   3.218   1.793
 4126   1HG2  VAL   2          3HG2      VAL   2 -11.206  -0.823   2.968
 4127   2HG2  VAL   2          2HG2      VAL   2 -12.869  -0.243   2.893
 4128   3HG2  VAL   2          1HG2      VAL   2 -11.899  -0.332   1.424
 4129    H    CYS   3           H        CYS   3  -8.977  -1.020   2.561
 4130    HA   CYS   3           HA       CYS   3  -8.699  -0.979  -0.241
 4131   1HB   CYS   3          2HB       CYS   3  -6.302  -0.846  -0.499
 4132   2HB   CYS   3          1HB       CYS   3  -6.858   0.599   0.336
 4133    HA   PRO   4           HA       PRO   4  -9.002  -5.340   0.589
 4134   1HB   PRO   4          2HB       PRO   4  -7.280  -5.405  -1.861
 4135   2HB   PRO   4          1HB       PRO   4  -8.703  -6.376  -1.465
 4136   1HG   PRO   4          2HG       PRO   4  -8.898  -4.316  -3.138
 4137   2HG   PRO   4          1HG       PRO   4 -10.179  -4.654  -1.960
 4138   1HD   PRO   4          2HD       PRO   4  -8.143  -2.493  -1.971
 4139   2HD   PRO   4          1HD       PRO   4  -9.774  -2.506  -1.274
 4140    H    ARG   5           H        ARG   5  -7.811  -6.661   1.828
 4141    HA   ARG   5           HA       ARG   5  -5.184  -5.947   2.617
 4142   1HB   ARG   5          2HB       ARG   5  -7.124  -7.399   3.774
 4143   2HB   ARG   5          1HB       ARG   5  -6.142  -8.708   3.131
 4144   1HG   ARG   5          2HG       ARG   5  -4.291  -8.114   4.427
 4145   2HG   ARG   5          1HG       ARG   5  -4.936  -6.507   4.768
 4146   1HD   ARG   5          2HD       ARG   5  -6.588  -7.383   6.227
 4147   2HD   ARG   5          1HD       ARG   5  -6.270  -9.036   5.702
 4148    HE   ARG   5           HE       ARG   5  -4.505  -9.130   7.162
 4149   1HH1  ARG   5          1HH1      ARG   5  -5.500  -5.805   6.791
 4150   2HH1  ARG   5          2HH1      ARG   5  -4.487  -5.229   8.072
 4151   1HH2  ARG   5          1HH2      ARG   5  -3.173  -8.374   8.846
 4152   2HH2  ARG   5          2HH2      ARG   5  -3.166  -6.687   9.238
 4153    H    ILE   6           H        ILE   6  -4.130  -5.891   0.535
 4154    HA   ILE   6           HA       ILE   6  -3.150  -8.550  -0.253
 4155    HB   ILE   6           HB       ILE   6  -3.673  -6.322  -2.218
 4156   1HG1  ILE   6          2HG1      ILE   6  -5.789  -7.188  -1.267
 4157   2HG1  ILE   6          1HG1      ILE   6  -5.613  -7.587  -2.972
 4158   1HG2  ILE   6          1HG2      ILE   6  -2.581  -9.082  -2.389
 4159   2HG2  ILE   6          3HG2      ILE   6  -3.535  -8.469  -3.739
 4160   3HG2  ILE   6          2HG2      ILE   6  -2.080  -7.614  -3.228
 4161   1HD1  ILE   6          1HD1      ILE   6  -4.607  -9.622  -1.118
 4162   2HD1  ILE   6          3HD1      ILE   6  -6.347  -9.337  -1.054
 4163   3HD1  ILE   6          2HD1      ILE   6  -5.583  -9.789  -2.579
 4164    H    LEU   7           H        LEU   7  -1.015  -8.691  -0.087
 4165    HA   LEU   7           HA       LEU   7   0.644  -6.601   0.715
 4166   1HB   LEU   7          2HB       LEU   7   1.409  -9.151  -0.711
 4167   2HB   LEU   7          1HB       LEU   7   2.515  -8.104   0.157
 4168    HG   LEU   7           HG       LEU   7   0.196  -9.552   1.435
 4169   1HD1  LEU   7          3HD1      LEU   7   2.376 -10.786   0.453
 4170   2HD1  LEU   7          2HD1      LEU   7   2.971 -10.326   2.048
 4171   3HD1  LEU   7          1HD1      LEU   7   1.517 -11.315   1.900
 4172   1HD2  LEU   7          2HD2      LEU   7   1.573  -7.346   2.324
 4173   2HD2  LEU   7          1HD2      LEU   7   0.690  -8.490   3.335
 4174   3HD2  LEU   7          3HD2      LEU   7   2.427  -8.681   3.095
 4175    H    LEU   8           H        LEU   8   1.988  -5.190  -0.327
 4176    HA   LEU   8           HA       LEU   8   2.559  -5.379  -3.122
 4177   1HB   LEU   8          2HB       LEU   8   0.111  -4.405  -2.750
 4178   2HB   LEU   8          1HB       LEU   8   1.007  -2.920  -2.488
 4179    HG   LEU   8           HG       LEU   8   1.578  -4.519  -4.943
 4180   1HD1  LEU   8          2HD1      LEU   8  -0.912  -4.326  -4.714
 4181   2HD1  LEU   8          1HD1      LEU   8  -0.710  -2.574  -4.766
 4182   3HD1  LEU   8          3HD1      LEU   8  -0.229  -3.559  -6.148
 4183   1HD2  LEU   8          3HD2      LEU   8   2.917  -2.532  -4.326
 4184   2HD2  LEU   8          2HD2      LEU   8   2.077  -2.351  -5.865
 4185   3HD2  LEU   8          1HD2      LEU   8   1.454  -1.553  -4.421
 4186    H    GLU   9           H        GLU   9   4.568  -4.663  -3.243
 4187    HA   GLU   9           HA       GLU   9   5.493  -2.656  -1.322
 4188   1HB   GLU   9          2HB       GLU   9   7.750  -3.376  -1.932
 4189   2HB   GLU   9          1HB       GLU   9   6.765  -4.746  -1.437
 4190   1HG   GLU   9          2HG       GLU   9   7.515  -5.725  -3.287
 4191   2HG   GLU   9          1HG       GLU   9   6.361  -4.697  -4.136
 4192    H    CYS  10           H        CYS  10   6.087  -0.661  -1.898
 4193    HA   CYS  10           HA       CYS  10   6.805  -0.031  -4.628
 4194   1HB   CYS  10          2HB       CYS  10   4.845   1.923  -3.962
 4195   2HB   CYS  10          1HB       CYS  10   4.834   0.780  -5.300
 4196    H    LYS  11           H        LYS  11   7.482   2.252  -4.862
 4197    HA   LYS  11           HA       LYS  11   8.955   3.075  -2.509
 4198   1HB   LYS  11          2HB       LYS  11   8.988   3.772  -5.407
 4199   2HB   LYS  11          1HB       LYS  11   9.622   4.954  -4.271
 4200   1HG   LYS  11          2HG       LYS  11  11.470   3.755  -3.856
 4201   2HG   LYS  11          1HG       LYS  11  10.600   2.219  -3.866
 4202   1HD   LYS  11          2HD       LYS  11  10.828   1.953  -6.143
 4203   2HD   LYS  11          1HD       LYS  11  10.988   3.685  -6.436
 4204   1HE   LYS  11          2HE       LYS  11  13.081   2.146  -4.934
 4205   2HE   LYS  11          1HE       LYS  11  13.076   2.212  -6.697
 4206   1HZ   LYS  11          1HZ       LYS  11  12.839   4.760  -5.314
 4207   2HZ   LYS  11          3HZ       LYS  11  14.336   3.981  -5.180
 4208   3HZ   LYS  11          2HZ       LYS  11  13.712   4.359  -6.706
 4209    H    LYS  12           H        LYS  12   6.888   4.824  -4.836
 4210    HA   LYS  12           HA       LYS  12   6.349   6.880  -2.871
 4211   1HB   LYS  12          2HB       LYS  12   6.701   7.484  -5.227
 4212   2HB   LYS  12          1HB       LYS  12   5.301   6.524  -5.686
 4213   1HG   LYS  12          2HG       LYS  12   3.810   8.055  -4.883
 4214   2HG   LYS  12          1HG       LYS  12   4.935   8.681  -3.676
 4215   1HD   LYS  12          2HD       LYS  12   4.823  10.405  -5.230
 4216   2HD   LYS  12          1HD       LYS  12   6.280   9.534  -5.709
 4217   1HE   LYS  12          2HE       LYS  12   3.689   8.734  -6.930
 4218   2HE   LYS  12          1HE       LYS  12   4.437  10.236  -7.470
 4219   1HZ   LYS  12          2HZ       LYS  12   6.187   7.922  -7.324
 4220   2HZ   LYS  12          1HZ       LYS  12   4.994   7.864  -8.521
 4221   3HZ   LYS  12          3HZ       LYS  12   6.101   9.143  -8.490
 4222    H    ASP  13           H        ASP  13   4.559   7.064  -1.649
 4223    HA   ASP  13           HA       ASP  13   2.870   4.929  -1.199
 4224   1HB   ASP  13          2HB       ASP  13   2.169   7.814  -0.671
 4225   2HB   ASP  13          1HB       ASP  13   1.515   6.404   0.145
 4226    H    SER  14           H        SER  14   2.513   7.588  -3.430
 4227    HA   SER  14           HA       SER  14  -0.170   7.360  -4.092
 4228   1HB   SER  14          2HB       SER  14   1.631   9.055  -4.901
 4229   2HB   SER  14          1HB       SER  14   1.903   7.895  -6.201
 4230    H    ASP  15           H        ASP  15   2.567   5.401  -5.075
 4231    HA   ASP  15           HA       ASP  15   1.571   4.074  -7.270
 4232   1HB   ASP  15          2HB       ASP  15   3.833   3.869  -5.812
 4233   2HB   ASP  15          1HB       ASP  15   3.018   2.389  -5.313
 4234    H    CYS  16           H        CYS  16   0.802   3.553  -3.881
 4235    HA   CYS  16           HA       CYS  16  -0.351   1.068  -3.933
 4236   1HB   CYS  16          2HB       CYS  16  -0.118   2.860  -2.011
 4237   2HB   CYS  16          1HB       CYS  16  -1.778   3.208  -2.412
 4238    H    LEU  17           H        LEU  17  -2.788   0.683  -3.619
 4239    HA   LEU  17           HA       LEU  17  -4.178   1.890  -5.919
 4240   1HB   LEU  17          2HB       LEU  17  -5.387  -0.189  -6.174
 4241   2HB   LEU  17          1HB       LEU  17  -3.660  -0.490  -6.203
 4242    HG   LEU  17           HG       LEU  17  -3.974  -1.029  -3.668
 4243   1HD1  LEU  17          1HD1      LEU  17  -6.758  -0.978  -4.716
 4244   2HD1  LEU  17          3HD1      LEU  17  -6.315  -2.209  -3.534
 4245   3HD1  LEU  17          2HD1      LEU  17  -6.136  -0.500  -3.137
 4246   1HD2  LEU  17          2HD2      LEU  17  -3.658  -2.536  -5.874
 4247   2HD2  LEU  17          1HD2      LEU  17  -3.799  -3.201  -4.247
 4248   3HD2  LEU  17          3HD2      LEU  17  -5.211  -3.147  -5.301
 4249    H    ALA  18           H        ALA  18  -6.644   1.638  -5.716
 4250    HA   ALA  18           HA       ALA  18  -8.519   2.461  -4.720
 4251   1HB   ALA  18           3HB      ALA  18  -8.370   0.212  -3.714
 4252   2HB   ALA  18          1HB       ALA  18  -9.155   1.380  -2.650
 4253   3HB   ALA  18          2HB       ALA  18  -7.484   0.901  -2.353
 4254    H    GLU  19           H        GLU  19  -8.017   2.634  -1.482
 4255    HA   GLU  19           HA       GLU  19  -6.946   5.370  -1.633
 4256   1HB   GLU  19          2HB       GLU  19  -9.546   4.749  -1.040
 4257   2HB   GLU  19          1HB       GLU  19  -8.827   4.834   0.562
 4258   1HG   GLU  19          2HG       GLU  19  -8.091   7.043  -1.208
 4259   2HG   GLU  19          1HG       GLU  19  -9.811   6.948  -0.830
 4260    H    CYS  20           H        CYS  20  -5.092   3.574  -1.202
 4261    HA   CYS  20           HA       CYS  20  -4.616   3.702   1.697
 4262   1HB   CYS  20          2HB       CYS  20  -4.701   1.356  -0.029
 4263   2HB   CYS  20          1HB       CYS  20  -3.158   1.502   0.804
 4264    H    VAL  21           H        VAL  21  -2.021   2.787   1.741
 4265    HA   VAL  21           HA       VAL  21  -0.613   4.534  -0.151
 4266    HB   VAL  21           HB       VAL  21   0.829   5.413   1.580
 4267   1HG1  VAL  21          3HG1      VAL  21  -1.287   6.576   1.065
 4268   2HG1  VAL  21          2HG1      VAL  21  -2.056   5.720   2.401
 4269   3HG1  VAL  21          1HG1      VAL  21  -0.739   6.849   2.718
 4270   1HG2  VAL  21          1HG2      VAL  21   0.825   3.490   3.091
 4271   2HG2  VAL  21          3HG2      VAL  21   0.417   4.973   3.954
 4272   3HG2  VAL  21          2HG2      VAL  21  -0.851   3.825   3.524
 4273    H    CYS  22           H        CYS  22   1.645   4.124  -0.327
 4274    HA   CYS  22           HA       CYS  22   2.281   1.277  -0.073
 4275   1HB   CYS  22          2HB       CYS  22   3.246   3.474  -1.880
 4276   2HB   CYS  22          1HB       CYS  22   4.235   2.048  -1.649
 4277    H    LEU  23           H        LEU  23   3.927   0.558   1.171
 4278    HA   LEU  23           HA       LEU  23   5.288   2.551   2.825
 4279   1HB   LEU  23          2HB       LEU  23   5.170  -0.431   3.239
 4280   2HB   LEU  23          1HB       LEU  23   5.678   0.782   4.399
 4281    HG   LEU  23           HG       LEU  23   2.878   0.692   3.294
 4282   1HD1  LEU  23          2HD1      LEU  23   3.394  -1.451   4.389
 4283   2HD1  LEU  23          1HD1      LEU  23   3.862  -0.573   5.845
 4284   3HD1  LEU  23          3HD1      LEU  23   2.196  -0.509   5.273
 4285   1HD2  LEU  23          3HD2      LEU  23   3.749   2.782   4.367
 4286   2HD2  LEU  23          2HD2      LEU  23   2.327   2.081   5.143
 4287   3HD2  LEU  23          1HD2      LEU  23   3.924   1.862   5.862
 4288    H    GLU  24           H        GLU  24   7.468   2.677   3.039
 4289    HA   GLU  24           HA       GLU  24   9.081   2.213   0.859
 4290   1HB   GLU  24          2HB       GLU  24  10.996   2.446   2.595
 4291   2HB   GLU  24          1HB       GLU  24   9.907   3.799   2.324
 4292   1HG   GLU  24          2HG       GLU  24   9.119   3.738   4.411
 4293   2HG   GLU  24          1HG       GLU  24   9.019   1.980   4.428
 4294    H    HIS  25           H        HIS  25   8.827   0.191   3.790
 4295    HA   HIS  25           HA       HIS  25  10.846  -1.615   3.114
 4296   1HB   HIS  25          2HB       HIS  25   9.577  -3.231   4.605
 4297   2HB   HIS  25          1HB       HIS  25  10.039  -1.699   5.335
 4298    HD1  HIS  25          1HD       HIS  25   8.207  -0.330   6.342
 4299    HD2  HIS  25          2HD       HIS  25   6.765  -3.373   3.911
 4300    HE1  HIS  25          1HE       HIS  25   5.719  -0.351   6.699
 4301    HE2  HIS  25          2HE       HIS  25   4.898  -2.313   5.350
 4302    H    GLY  26           H        GLY  26   7.652  -1.253   1.858
 4303   1HA   GLY  26          1HA       GLY  26   8.110  -3.649   0.199
 4304   2HA   GLY  26          2HA       GLY  26   7.278  -2.205  -0.348
 4305    H    TYR  27           H        TYR  27   5.266  -1.657   0.982
 4306    HA   TYR  27           HA       TYR  27   3.489  -3.864   0.801
 4307   1HB   TYR  27          2HB       TYR  27   4.412  -3.010   3.520
 4308   2HB   TYR  27          1HB       TYR  27   2.774  -3.608   3.299
 4309    HD1  TYR  27          1HD       TYR  27   3.180  -5.759   1.331
 4310    HD2  TYR  27          2HD       TYR  27   5.514  -4.670   4.718
 4311    HE1  TYR  27          1HE       TYR  27   4.006  -8.068   1.498
 4312    HE2  TYR  27          2HE       TYR  27   6.347  -6.976   4.893
 4313    HH   TYR  27           HH       TYR  27   6.136  -9.195   2.486
 4314    H    CYS  28           H        CYS  28   1.344  -3.225   0.789
 4315    HA   CYS  28           HA       CYS  28   0.927  -0.323   0.764
 4316   1HB   CYS  28          2HB       CYS  28  -0.113  -2.550  -0.781
 4317   2HB   CYS  28          1HB       CYS  28  -1.419  -1.569  -0.127
 4318    H    GLY  29           H        GLY  29   0.192   0.529   2.592
 4319   1HA   GLY  29          1HA       GLY  29  -0.839  -0.825   4.775
 4320   2HA   GLY  29          2HA       GLY  29  -2.224  -0.363   3.799

  No H/Q in entry =        4320