*HEADER MEMBRANE PROTEIN, VIRAL PROTEIN 05-FEB-10 SMS20123 *TITLE SOLUTION STRUCTURE OF NS4A(1-22) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 4A; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: N-TERMINAL DOMAIN, UNP RESIDUES 1658-1679; *COMPND 5 SYNONYM: NS4A, P8; *COMPND 6 ENGINEERED: YES; *COMPND 7 OTHER_DETAILS: NS4A(1-22) *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS (ISOLATE H); *SOURCE 4 ORGANISM_COMMON: HCV; *SOURCE 5 ORGANISM_TAXID: 11108; *SOURCE 6 OTHER_DETAILS: CHEMICAL SYNTHESIS *KEYWDS NS4A, MEMBRANE HELIX, MEMBRANE PROTEIN, VIRAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 25 *AUTHOR R.MONTSERRET, F.PENIN #============================================================================ # > RESTRAINTS # > SEQUENCE STWVLVGGVLAALAAYCLSTGS # #============================================================================ # <========== S1 ==========> # <========== T2 ==========> NOEULD UNK 1 HA UNK 2 HN 3.100 1.800 2.800 NOEULD UNK 1 HB1 UNK 2 HN 3.900 1.800 3.500 NOEULD UNK 1 HB2 UNK 2 HN 5.000 1.800 4.500 # <========== W3 ==========> NOEULD UNK 2 HN UNK 3 HN 3.100 1.800 2.800 NOEULD UNK 2 HA UNK 3 HN 3.100 1.800 2.800 NOEULD UNK 2 HB UNK 3 HN 3.900 1.800 3.500 NOEULD UNK 2 HG2# UNK 3 HN 7.500 1.800 5.000 # <========== V4 ==========> NOEULD UNK 3 HN UNK 4 HN 3.100 1.800 2.800 NOEULD UNK 3 HA UNK 4 HN 3.900 1.800 3.500 NOEULD UNK 3 HB# UNK 4 HN 4.900 1.800 3.500 NOEULD UNK 2 HN UNK 4 HN 5.500 1.800 5.000 NOEULD UNK 1 HA UNK 4 HB 5.500 1.800 5.000 NOEULD UNK 1 HA UNK 4 HG* 7.400 1.800 4.500 # <========== L5 ==========> NOEULD UNK 4 HN UNK 5 HN 3.100 1.800 2.800 NOEULD UNK 4 HA UNK 5 HN 3.900 1.800 3.500 NOEULD UNK 4 HB UNK 5 HN 3.900 1.800 3.500 NOEULD UNK 4 HG* UNK 5 HN 7.400 1.800 4.500 NOEULD UNK 3 HN UNK 5 HN 5.000 1.800 4.500 NOEULD UNK 2 HA UNK 5 HB1 5.000 1.800 4.500 NOEULD UNK 2 HA UNK 5 HB2 5.000 1.800 4.500 # <========== V6 ==========> NOEULD UNK 5 HN UNK 6 HN 3.100 1.800 2.800 NOEULD UNK 5 HA UNK 6 HN 3.900 1.800 3.500 NOEULD UNK 5 HB1 UNK 6 HN 3.900 1.800 3.500 NOEULD UNK 5 HB2 UNK 6 HN 3.900 1.800 3.500 NOEULD UNK 4 HN UNK 6 HN 5.500 1.800 5.000 NOEULD UNK 4 HA UNK 6 HN 5.500 1.800 5.000 NOEULD UNK 3 HA UNK 6 HN 5.500 1.800 5.000 NOEULD UNK 3 HA UNK 6 HB 3.900 1.800 3.500 NOEULD UNK 3 HA UNK 6 HG1# 7.000 1.800 4.500 NOEULD UNK 3 HA UNK 6 HG2# 7.500 1.800 5.000 NOEULD UNK 2 HA UNK 6 HN 5.500 1.800 5.000 # <========== G7 ==========> NOEULD UNK 6 HN UNK 7 HN 3.100 1.800 2.800 NOEULD UNK 6 HA UNK 7 HN 3.100 1.800 2.800 NOEULD UNK 6 HB UNK 7 HN 3.900 1.800 3.500 NOEULD UNK 6 HG1# UNK 7 HN 7.000 1.800 4.500 NOEULD UNK 6 HG2# UNK 7 HN 5.900 1.800 3.500 NOEULD UNK 5 HN UNK 7 HN 5.000 1.800 4.500 NOEULD UNK 5 HA UNK 7 HN 5.500 1.800 5.000 NOEULD UNK 4 HA UNK 7 HN 3.900 1.800 3.500 # <========== G8 ==========> NOEULD UNK 7 HN UNK 8 HN 3.100 1.800 2.800 NOEULD UNK 7 HA# UNK 8 HN 4.100 1.800 2.800 NOEULD UNK 5 HA UNK 8 HN 5.000 1.800 4.500 NOEULD UNK 4 HA UNK 8 HN 5.500 1.800 5.000 # <========== V9 ==========> NOEULD UNK 8 HN UNK 9 HN 3.100 1.800 2.800 NOEULD UNK 8 HA# UNK 9 HN 4.100 1.800 2.800 NOEULD UNK 6 HA UNK 9 HB 3.100 1.800 2.800 NOEULD UNK 6 HA UNK 9 HG1# 5.900 1.800 3.500 NOEULD UNK 5 HA UNK 9 HN 5.500 1.800 5.000 # <========== L10 ==========> NOEULD UNK 9 HN UNK 10 HN 3.100 1.800 2.800 NOEULD UNK 9 HB UNK 10 HN 3.100 1.800 2.800 NOEULD UNK 9 HG1# UNK 10 HN 7.000 1.800 4.500 NOEULD UNK 8 HN UNK 10 HN 5.500 1.800 5.000 NOEULD UNK 8 HA# UNK 10 HN 6.500 1.800 5.000 NOEULD UNK 7 HA# UNK 10 HB1 4.100 1.800 2.800 NOEULD UNK 7 HA# UNK 10 HB2 4.100 1.800 2.800 NOEULD UNK 7 HA# UNK 10 HD1# 8.000 1.800 4.500 NOEULD UNK 7 HA# UNK 10 HD2# 8.000 1.800 4.500 # <========== A11 ==========> NOEULD UNK 10 HN UNK 11 HN 3.100 1.800 2.800 NOEULD UNK 10 HA UNK 11 HN 3.900 1.800 3.500 NOEULD UNK 10 HB1 UNK 11 HN 3.100 1.800 2.800 NOEULD UNK 10 HB2 UNK 11 HN 3.100 1.800 2.800 NOEULD UNK 10 HD1# UNK 11 HN 7.500 1.800 5.000 NOEULD UNK 10 HD2# UNK 11 HN 7.500 1.800 5.000 NOEULD UNK 9 HN UNK 11 HN 5.500 1.800 5.000 NOEULD UNK 8 HA# UNK 11 HB# 6.100 1.800 2.800 NOEULD UNK 8 HA# UNK 11 HN 4.900 1.800 3.500 # <========== A12 ==========> NOEULD UNK 11 HN UNK 12 HN 3.100 1.800 2.800 NOEULD UNK 11 HA UNK 12 HN 3.900 1.800 3.500 NOEULD UNK 11 HB# UNK 12 HN 5.100 1.800 2.800 NOEULD UNK 10 HN UNK 12 HN 5.500 1.800 5.000 NOEULD UNK 9 HA UNK 12 HB# 5.100 1.800 2.800 NOEULD UNK 9 HA UNK 12 HN 3.100 1.800 2.800 NOEULD UNK 8 HA# UNK 12 HN 4.900 1.800 3.500 # <========== L13 ==========> NOEULD UNK 12 HN UNK 13 HN 3.100 1.800 2.800 NOEULD UNK 12 HA UNK 13 HN 3.900 1.800 3.500 NOEULD UNK 12 HB# UNK 13 HN 5.100 1.800 2.800 NOEULD UNK 11 HN UNK 13 HN 5.500 1.800 5.000 NOEULD UNK 11 HA UNK 13 HN 5.000 1.800 4.500 NOEULD UNK 10 HA UNK 13 HB2 3.900 1.800 3.500 NOEULD UNK 10 HA UNK 13 HN 3.900 1.800 3.500 NOEULD UNK 9 HA UNK 13 HN 5.500 1.800 5.000 # NOEULD UNK 13 HD1# UNK 16 HD* 8.000 1.800 4.500 NOEULD UNK 13 HD2# UNK 16 HD* 8.500 1.800 5.000 # <========== A14 ==========> NOEULD UNK 13 HN UNK 14 HN 3.100 1.800 2.800 NOEULD UNK 13 HA UNK 14 HN 3.900 1.800 3.500 NOEULD UNK 13 HB1 UNK 14 HN 3.100 1.800 2.800 NOEULD UNK 13 HB2 UNK 14 HN 3.900 1.800 3.500 NOEULD UNK 13 HD1# UNK 14 HN 7.000 1.800 4.500 NOEULD UNK 13 HD2# UNK 14 HN 7.500 1.800 5.000 NOEULD UNK 12 HN UNK 14 HN 5.000 1.800 4.500 NOEULD UNK 12 HA UNK 14 HN 5.500 1.800 5.000 NOEULD UNK 11 HA UNK 14 HN 3.100 1.800 2.800 # <========== A15 ==========> NOEULD UNK 14 HN UNK 15 HN 3.100 1.800 2.800 NOEULD UNK 14 HA UNK 15 HN 3.900 1.800 3.500 NOEULD UNK 14 HB# UNK 15 HN 5.100 1.800 2.800 NOEULD UNK 13 HN UNK 15 HN 4.900 1.800 4.500 NOEULD UNK 13 HA UNK 15 HN 5.500 1.800 5.000 NOEULD UNK 12 HA UNK 15 HN 3.900 1.800 3.500 NOEULD UNK 11 HA UNK 15 HN 5.500 1.800 5.000 # <========== Y16 ==========> NOEULD UNK 15 HN UNK 16 HN 3.100 1.800 2.800 NOEULD UNK 15 HA UNK 16 HN 3.900 1.800 3.500 NOEULD UNK 15 HB# UNK 16 HN 5.100 1.800 2.800 NOEULD UNK 14 HN UNK 16 HN 5.000 1.800 4.500 NOEULD UNK 14 HA UNK 16 HN 5.000 1.800 4.500 NOEULD UNK 13 HA UNK 16 HB1 3.100 1.800 2.800 NOEULD UNK 13 HA UNK 16 HB2 3.900 1.800 3.500 NOEULD UNK 13 HA UNK 16 HN 3.100 1.800 2.800 # NOEULD UNK 16 HD* UNK 17 HN 5.000 1.800 4.500 NOEULD UNK 16 HD* UNK 20 HG2# 8.000 1.800 4.500 NOEULD UNK 16 HE* UNK 20 HG2# 6.900 1.800 3.500 # <========== C17 ==========> NOEULD UNK 16 HN UNK 17 HN 3.100 1.800 2.800 NOEULD UNK 16 HA UNK 17 HN 5.000 1.800 4.500 NOEULD UNK 16 HB1 UNK 17 HN 3.100 1.800 2.800 NOEULD UNK 16 HB2 UNK 17 HN 3.900 1.800 3.500 NOEULD UNK 15 HN UNK 17 HN 5.500 1.800 5.000 NOEULD UNK 15 HA UNK 17 HN 5.500 1.800 5.000 NOEULD UNK 14 HA UNK 17 HN 3.900 1.800 3.500 NOEULD UNK 14 HA UNK 17 HB1 3.100 1.800 2.800 NOEULD UNK 14 HA UNK 17 HB2 3.900 1.800 3.500 NOEULD UNK 13 HA UNK 17 HN 3.100 1.800 2.800 # <========== L18 ==========> NOEULD UNK 17 HN UNK 18 HN 3.100 1.800 2.800 NOEULD UNK 17 HA UNK 18 HN 5.000 1.800 4.500 NOEULD UNK 17 HB1 UNK 18 HN 3.900 1.800 3.500 NOEULD UNK 17 HB2 UNK 18 HN 5.000 1.800 4.500 NOEULD UNK 16 HN UNK 18 HN 5.500 1.800 5.000 NOEULD UNK 15 HA UNK 18 HB2 3.900 1.800 3.500 NOEULD UNK 15 HA UNK 18 HN 3.900 1.800 3.500 NOEULD UNK 15 HA UNK 18 HB1 3.100 1.800 2.800 NOEULD UNK 15 HA UNK 18 HD* 6.400 1.800 3.500 NOEULD UNK 14 HA UNK 18 HN 5.500 1.800 5.000 # <========== S19 ==========> NOEULD UNK 18 HN UNK 19 HN 3.100 1.800 2.800 NOEULD UNK 18 HA UNK 19 HN 3.900 1.800 3.500 NOEULD UNK 18 HB1 UNK 19 HN 3.900 1.800 3.500 NOEULD UNK 18 HB2 UNK 19 HN 3.100 1.800 2.800 NOEULD UNK 18 HD* UNK 19 HN 7.400 1.800 4.500 NOEULD UNK 17 HN UNK 19 HN 5.500 1.800 5.000 NOEULD UNK 17 HA UNK 19 HN 5.000 1.800 4.500 NOEULD UNK 16 HA UNK 19 HN 3.900 1.800 3.500 NOEULD UNK 16 HA UNK 19 HB# 4.100 1.800 2.800 # <========== T20 ==========> NOEULD UNK 19 HN UNK 20 HN 3.100 1.800 2.800 NOEULD UNK 19 HA UNK 20 HN 3.900 1.800 3.500 NOEULD UNK 19 HB# UNK 20 HN 4.900 1.800 3.500 NOEULD UNK 17 HA UNK 20 HN 5.000 1.800 4.500 NOEULD UNK 17 HA UNK 20 HB 3.100 1.800 2.800 # <========== G21 ==========> NOEULD UNK 20 HN UNK 21 HN 3.100 1.800 2.800 NOEULD UNK 20 HA UNK 21 HN 3.900 1.800 3.500 NOEULD UNK 20 HB UNK 21 HN 3.900 1.800 3.500 NOEULD UNK 20 HG2# UNK 21 HN 7.000 1.800 4.500 NOEULD UNK 19 HN UNK 21 HN 5.500 1.800 5.000 # <========== S22 ==========> NOEULD UNK 21 HA1 UNK 22 HN 3.100 1.800 2.800 NOEULD UNK 20 HA UNK 22 HN 5.000 1.800 4.500 NOEULD UNK 19 HA UNK 22 HB2 3.900 1.800 3.500 NOEULD UNK 18 HA UNK 22 HN 5.000 1.800 4.500 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA SER 1 HA SER 1 -15.986 1.153 -0.031 2 HB2 SER 1 HB2 SER 1 -17.676 -1.174 -1.009 3 HB3 SER 1 HB3 SER 1 -16.947 -1.048 0.590 4 HG SER 1 HG SER 1 -19.010 -0.285 0.778 5 H THR 2 H THR 2 -14.655 -1.006 0.508 6 HA THR 2 HA THR 2 -12.752 -2.305 0.006 7 HB THR 2 HB THR 2 -13.930 -2.465 -2.776 8 HG1 THR 2 HG1 THR 2 -15.493 -3.738 -2.026 9 HG21 THR 2 HG21 THR 2 -13.232 -4.943 -2.256 10 HG22 THR 2 HG22 THR 2 -12.225 -4.199 -1.014 11 HG23 THR 2 HG23 THR 2 -11.997 -3.769 -2.709 12 H TRP 3 H TRP 3 -12.615 0.631 -0.448 13 HA TRP 3 HA TRP 3 -10.421 0.661 -2.493 14 HB2 TRP 3 HB2 TRP 3 -12.932 1.940 -2.566 15 HB3 TRP 3 HB3 TRP 3 -11.778 3.208 -2.153 16 HD1 TRP 3 HD1 TRP 3 -10.185 4.045 -4.001 17 HE1 TRP 3 HE1 TRP 3 -9.831 3.448 -6.483 18 HE3 TRP 3 HE3 TRP 3 -13.047 -0.173 -4.310 19 HZ2 TRP 3 HZ2 TRP 3 -10.654 1.446 -8.353 20 HZ3 TRP 3 HZ3 TRP 3 -13.244 -1.404 -6.451 21 HH2 TRP 3 HH2 TRP 3 -12.052 -0.601 -8.471 22 H VAL 4 H VAL 4 -11.810 2.502 0.268 23 HA VAL 4 HA VAL 4 -9.488 4.027 0.885 24 HB VAL 4 HB VAL 4 -11.821 4.382 1.719 25 HG11 VAL 4 HG11 VAL 4 -12.718 3.043 3.508 26 HG12 VAL 4 HG12 VAL 4 -11.213 2.139 3.662 27 HG13 VAL 4 HG13 VAL 4 -12.221 1.934 2.230 28 HG21 VAL 4 HG21 VAL 4 -11.173 5.031 4.021 29 HG22 VAL 4 HG22 VAL 4 -9.930 5.474 2.851 30 HG23 VAL 4 HG23 VAL 4 -9.711 4.056 3.876 31 H LEU 5 H LEU 5 -10.426 0.735 1.872 32 HA LEU 5 HA LEU 5 -8.235 0.403 3.769 33 HB2 LEU 5 HB2 LEU 5 -10.507 -1.099 2.661 34 HB3 LEU 5 HB3 LEU 5 -9.097 -2.114 2.960 35 HG LEU 5 HG LEU 5 -8.981 -0.981 5.269 36 HD11 LEU 5 HD11 LEU 5 -11.317 -0.234 6.018 37 HD12 LEU 5 HD12 LEU 5 -11.716 -0.123 4.304 38 HD13 LEU 5 HD13 LEU 5 -10.435 0.885 4.978 39 HD21 LEU 5 HD21 LEU 5 -9.745 -3.311 4.896 40 HD22 LEU 5 HD22 LEU 5 -11.380 -2.718 4.599 41 HD23 LEU 5 HD23 LEU 5 -10.652 -2.536 6.195 42 H VAL 6 H VAL 6 -8.835 -0.628 0.396 43 HA VAL 6 HA VAL 6 -6.321 -2.007 0.053 44 HB VAL 6 HB VAL 6 -8.308 -0.754 -1.872 45 HG11 VAL 6 HG11 VAL 6 -7.186 -2.554 -3.425 46 HG12 VAL 6 HG12 VAL 6 -5.819 -2.381 -2.324 47 HG13 VAL 6 HG13 VAL 6 -6.412 -0.982 -3.220 48 HG21 VAL 6 HG21 VAL 6 -7.871 -3.674 -1.196 49 HG22 VAL 6 HG22 VAL 6 -9.233 -2.955 -2.055 50 HG23 VAL 6 HG23 VAL 6 -9.028 -2.664 -0.328 51 H GLY 7 H GLY 7 -7.411 1.299 -0.664 52 HA2 GLY 7 HA2 GLY 7 -5.051 2.213 -1.981 53 HA3 GLY 7 HA3 GLY 7 -6.202 3.253 -1.141 54 H GLY 8 H GLY 8 -5.955 2.198 1.477 55 HA2 GLY 8 HA2 GLY 8 -3.661 3.589 2.453 56 HA3 GLY 8 HA3 GLY 8 -4.626 2.452 3.396 57 H VAL 9 H VAL 9 -4.254 0.075 2.067 58 HA VAL 9 HA VAL 9 -1.650 -0.780 2.938 59 HB VAL 9 HB VAL 9 -3.702 -2.004 1.055 60 HG11 VAL 9 HG11 VAL 9 -1.132 -3.035 2.212 61 HG12 VAL 9 HG12 VAL 9 -1.827 -3.308 0.614 62 HG13 VAL 9 HG13 VAL 9 -2.484 -4.151 2.017 63 HG21 VAL 9 HG21 VAL 9 -3.487 -3.261 3.634 64 HG22 VAL 9 HG22 VAL 9 -4.881 -2.447 2.924 65 HG23 VAL 9 HG23 VAL 9 -3.708 -1.526 3.864 66 H LEU 10 H LEU 10 -2.947 0.134 -0.255 67 HA LEU 10 HA LEU 10 -0.750 -0.640 -1.892 68 HB2 LEU 10 HB2 LEU 10 -3.149 0.972 -2.021 69 HB3 LEU 10 HB3 LEU 10 -1.836 1.803 -2.854 70 HG LEU 10 HG LEU 10 -1.358 -0.405 -4.038 71 HD11 LEU 10 HD11 LEU 10 -2.727 -1.728 -2.339 72 HD12 LEU 10 HD12 LEU 10 -3.045 -2.106 -4.031 73 HD13 LEU 10 HD13 LEU 10 -4.165 -1.084 -3.130 74 HD21 LEU 10 HD21 LEU 10 -2.494 1.438 -5.177 75 HD22 LEU 10 HD22 LEU 10 -4.034 0.967 -4.456 76 HD23 LEU 10 HD23 LEU 10 -3.253 -0.087 -5.635 77 H ALA 11 H ALA 11 -1.299 2.330 0.008 78 HA ALA 11 HA ALA 11 1.136 3.656 -0.889 79 HB1 ALA 11 HB1 ALA 11 -0.857 4.039 1.360 80 HB2 ALA 11 HB2 ALA 11 -0.701 4.985 -0.120 81 HB3 ALA 11 HB3 ALA 11 0.524 5.114 1.141 82 H ALA 12 H ALA 12 0.227 1.624 1.891 83 HA ALA 12 HA ALA 12 2.553 1.984 3.500 84 HB1 ALA 12 HB1 ALA 12 1.813 -0.091 4.534 85 HB2 ALA 12 HB2 ALA 12 0.904 -0.533 3.089 86 HB3 ALA 12 HB3 ALA 12 0.381 0.832 4.076 87 H LEU 13 H LEU 13 1.889 -0.323 0.845 88 HA LEU 13 HA LEU 13 4.489 -1.624 1.012 89 HB2 LEU 13 HB2 LEU 13 2.016 -2.081 -0.180 90 HB3 LEU 13 HB3 LEU 13 3.065 -1.738 -1.554 91 HG LEU 13 HG LEU 13 3.077 -4.144 -1.052 92 HD11 LEU 13 HD11 LEU 13 5.699 -2.914 -0.159 93 HD12 LEU 13 HD12 LEU 13 5.171 -2.969 -1.841 94 HD13 LEU 13 HD13 LEU 13 5.465 -4.468 -0.959 95 HD21 LEU 13 HD21 LEU 13 3.727 -5.026 1.061 96 HD22 LEU 13 HD22 LEU 13 2.594 -3.729 1.441 97 HD23 LEU 13 HD23 LEU 13 4.329 -3.464 1.617 98 H ALA 14 H ALA 14 3.175 1.141 -0.794 99 HA ALA 14 HA ALA 14 5.198 1.418 -2.779 100 HB1 ALA 14 HB1 ALA 14 3.676 3.548 -1.231 101 HB2 ALA 14 HB2 ALA 14 3.057 2.684 -2.639 102 HB3 ALA 14 HB3 ALA 14 4.438 3.768 -2.807 103 H ALA 15 H ALA 15 5.102 2.500 0.616 104 HA ALA 15 HA ALA 15 7.740 3.793 0.469 105 HB1 ALA 15 HB1 ALA 15 7.297 4.273 2.799 106 HB2 ALA 15 HB2 ALA 15 6.072 3.006 2.881 107 HB3 ALA 15 HB3 ALA 15 5.771 4.464 1.935 108 H TYR 16 H TYR 16 6.359 0.753 1.741 109 HA TYR 16 HA TYR 16 8.746 -0.252 2.991 110 HB2 TYR 16 HB2 TYR 16 6.256 -0.986 3.129 111 HB3 TYR 16 HB3 TYR 16 6.596 -1.920 1.672 112 HD1 TYR 16 HD2 TYR 16 7.366 -1.514 5.258 113 HD2 TYR 16 HD1 TYR 16 8.078 -3.851 1.725 114 HE1 TYR 16 HE2 TYR 16 8.393 -3.296 6.643 115 HE2 TYR 16 HE1 TYR 16 9.105 -5.633 3.110 116 HH TYR 16 HH TYR 16 8.681 -6.137 6.063 117 H CYS 17 H CYS 17 7.347 -0.805 -0.264 118 HA CYS 17 HA CYS 17 9.388 -2.540 -1.272 119 HB2 CYS 17 HB2 CYS 17 7.092 -2.011 -2.224 120 HB3 CYS 17 HB3 CYS 17 7.753 -0.476 -2.787 121 HG CYS 17 HG CYS 17 7.944 -2.796 -4.440 122 H LEU 18 H LEU 18 9.211 0.974 -0.956 123 HA LEU 18 HA LEU 18 11.441 1.633 -2.675 124 HB2 LEU 18 HB2 LEU 18 9.436 2.954 -1.360 125 HB3 LEU 18 HB3 LEU 18 10.814 3.343 -0.334 126 HG LEU 18 HG LEU 18 11.123 3.587 -3.305 127 HD11 LEU 18 HD11 LEU 18 10.013 5.847 -1.639 128 HD12 LEU 18 HD12 LEU 18 8.947 4.730 -2.494 129 HD13 LEU 18 HD13 LEU 18 10.098 5.717 -3.396 130 HD21 LEU 18 HD21 LEU 18 12.119 5.602 -1.360 131 HD22 LEU 18 HD22 LEU 18 12.937 4.869 -2.739 132 HD23 LEU 18 HD23 LEU 18 12.811 3.986 -1.218 133 H SER 19 H SER 19 11.122 1.213 0.866 134 HA SER 19 HA SER 19 13.895 1.676 1.499 135 HB2 SER 19 HB2 SER 19 11.789 1.689 2.983 136 HB3 SER 19 HB3 SER 19 11.934 -0.066 3.013 137 HG SER 19 HG SER 19 13.906 0.129 4.002 138 H THR 20 H THR 20 12.024 -1.353 1.054 139 HA THR 20 HA THR 20 14.300 -3.111 1.420 140 HB THR 20 HB THR 20 11.575 -3.460 0.119 141 HG1 THR 20 HG1 THR 20 11.109 -3.220 2.165 142 HG21 THR 20 HG21 THR 20 12.190 -5.932 0.923 143 HG22 THR 20 HG22 THR 20 13.829 -5.351 0.631 144 HG23 THR 20 HG23 THR 20 12.645 -5.342 -0.676 145 H GLY 21 H GLY 21 12.881 -1.465 -1.374 146 HA2 GLY 21 HA2 GLY 21 14.157 -3.011 -3.425 147 HA3 GLY 21 HA3 GLY 21 13.548 -1.367 -3.619 148 H SER 22 H SER 22 15.204 -0.174 -1.555 149 HA SER 22 HA SER 22 17.676 0.157 -3.103 150 HB2 SER 22 HB2 SER 22 16.328 1.387 -0.727 151 HB3 SER 22 HB3 SER 22 18.054 1.669 -0.936 152 HG SER 22 HG SER 22 17.651 2.579 -2.916 Start of MODEL 2 1 HA SER 1 HA SER 1 -15.297 -1.758 2.188 2 HB2 SER 1 HB2 SER 1 -13.274 -1.549 4.443 3 HB3 SER 1 HB3 SER 1 -13.552 -0.297 3.234 4 HG SER 1 HG SER 1 -14.848 0.220 4.927 5 H THR 2 H THR 2 -14.291 -2.127 0.253 6 HA THR 2 HA THR 2 -11.629 -3.524 0.264 7 HB THR 2 HB THR 2 -13.642 -3.510 -1.994 8 HG1 THR 2 HG1 THR 2 -14.686 -5.166 -1.074 9 HG21 THR 2 HG21 THR 2 -12.535 -5.824 -2.279 10 HG22 THR 2 HG22 THR 2 -11.320 -5.237 -1.145 11 HG23 THR 2 HG23 THR 2 -11.565 -4.406 -2.680 12 H TRP 3 H TRP 3 -12.416 -0.509 0.226 13 HA TRP 3 HA TRP 3 -10.890 0.195 -2.262 14 HB2 TRP 3 HB2 TRP 3 -13.157 1.671 -0.875 15 HB3 TRP 3 HB3 TRP 3 -12.307 2.240 -2.310 16 HD1 TRP 3 HD1 TRP 3 -15.378 0.620 -1.475 17 HE1 TRP 3 HE1 TRP 3 -16.288 -0.825 -3.408 18 HE3 TRP 3 HE3 TRP 3 -11.194 0.300 -4.385 19 HZ2 TRP 3 HZ2 TRP 3 -15.363 -1.965 -5.863 20 HZ3 TRP 3 HZ3 TRP 3 -11.236 -0.969 -6.512 21 HH2 TRP 3 HH2 TRP 3 -13.312 -2.102 -7.255 22 H VAL 4 H VAL 4 -11.917 1.735 0.822 23 HA VAL 4 HA VAL 4 -9.678 3.499 1.042 24 HB VAL 4 HB VAL 4 -11.642 2.270 2.997 25 HG11 VAL 4 HG11 VAL 4 -9.417 4.254 3.506 26 HG12 VAL 4 HG12 VAL 4 -9.782 2.775 4.395 27 HG13 VAL 4 HG13 VAL 4 -10.850 4.172 4.531 28 HG21 VAL 4 HG21 VAL 4 -12.590 3.847 1.400 29 HG22 VAL 4 HG22 VAL 4 -11.320 5.019 1.752 30 HG23 VAL 4 HG23 VAL 4 -12.519 4.621 2.983 31 H LEU 5 H LEU 5 -10.195 0.175 2.214 32 HA LEU 5 HA LEU 5 -7.776 -0.037 3.770 33 HB2 LEU 5 HB2 LEU 5 -9.802 -1.878 2.529 34 HB3 LEU 5 HB3 LEU 5 -8.312 -2.574 3.157 35 HG LEU 5 HG LEU 5 -9.983 -2.626 4.916 36 HD11 LEU 5 HD11 LEU 5 -8.690 -1.726 6.620 37 HD12 LEU 5 HD12 LEU 5 -8.325 -0.259 5.712 38 HD13 LEU 5 HD13 LEU 5 -7.512 -1.771 5.309 39 HD21 LEU 5 HD21 LEU 5 -11.301 -0.685 3.876 40 HD22 LEU 5 HD22 LEU 5 -10.187 0.385 4.728 41 HD23 LEU 5 HD23 LEU 5 -11.217 -0.721 5.637 42 H VAL 6 H VAL 6 -8.572 -0.883 0.387 43 HA VAL 6 HA VAL 6 -6.026 -2.021 -0.295 44 HB VAL 6 HB VAL 6 -8.175 -0.640 -1.939 45 HG11 VAL 6 HG11 VAL 6 -7.058 -2.331 -3.685 46 HG12 VAL 6 HG12 VAL 6 -5.637 -2.035 -2.683 47 HG13 VAL 6 HG13 VAL 6 -6.453 -0.688 -3.478 48 HG21 VAL 6 HG21 VAL 6 -7.637 -3.530 -1.195 49 HG22 VAL 6 HG22 VAL 6 -8.757 -3.055 -2.472 50 HG23 VAL 6 HG23 VAL 6 -9.066 -2.571 -0.805 51 H GLY 7 H GLY 7 -7.267 1.296 -0.368 52 HA2 GLY 7 HA2 GLY 7 -5.045 2.467 -1.771 53 HA3 GLY 7 HA3 GLY 7 -6.183 3.348 -0.751 54 H GLY 8 H GLY 8 -5.719 1.939 1.693 55 HA2 GLY 8 HA2 GLY 8 -3.445 3.339 2.717 56 HA3 GLY 8 HA3 GLY 8 -4.298 2.043 3.557 57 H VAL 9 H VAL 9 -3.890 -0.092 1.806 58 HA VAL 9 HA VAL 9 -1.215 -0.937 2.476 59 HB VAL 9 HB VAL 9 -3.305 -1.970 0.524 60 HG11 VAL 9 HG11 VAL 9 -1.420 -3.084 -0.244 61 HG12 VAL 9 HG12 VAL 9 -1.909 -4.166 1.060 62 HG13 VAL 9 HG13 VAL 9 -0.607 -3.005 1.320 63 HG21 VAL 9 HG21 VAL 9 -3.985 -1.927 2.908 64 HG22 VAL 9 HG22 VAL 9 -2.537 -2.840 3.330 65 HG23 VAL 9 HG23 VAL 9 -3.787 -3.580 2.329 66 H LEU 10 H LEU 10 -2.685 0.371 -0.495 67 HA LEU 10 HA LEU 10 -0.520 -0.028 -2.301 68 HB2 LEU 10 HB2 LEU 10 -3.012 1.408 -2.125 69 HB3 LEU 10 HB3 LEU 10 -1.791 2.481 -2.809 70 HG LEU 10 HG LEU 10 -1.828 -0.303 -3.855 71 HD11 LEU 10 HD11 LEU 10 -3.984 1.734 -4.489 72 HD12 LEU 10 HD12 LEU 10 -4.222 0.146 -3.758 73 HD13 LEU 10 HD13 LEU 10 -3.678 0.275 -5.430 74 HD21 LEU 10 HD21 LEU 10 -1.642 2.439 -5.148 75 HD22 LEU 10 HD22 LEU 10 -1.350 0.897 -5.953 76 HD23 LEU 10 HD23 LEU 10 -0.267 1.441 -4.673 77 H ALA 11 H ALA 11 -1.162 2.600 0.029 78 HA ALA 11 HA ALA 11 1.228 4.123 -0.706 79 HB1 ALA 11 HB1 ALA 11 -0.715 5.261 0.170 80 HB2 ALA 11 HB2 ALA 11 0.536 5.370 1.407 81 HB3 ALA 11 HB3 ALA 11 -0.770 4.198 1.576 82 H ALA 12 H ALA 12 0.302 1.876 1.916 83 HA ALA 12 HA ALA 12 2.682 2.089 3.492 84 HB1 ALA 12 HB1 ALA 12 0.878 -0.308 2.998 85 HB2 ALA 12 HB2 ALA 12 0.514 1.001 4.124 86 HB3 ALA 12 HB3 ALA 12 1.901 -0.050 4.412 87 H LEU 13 H LEU 13 1.841 -0.006 0.730 88 HA LEU 13 HA LEU 13 4.338 -1.487 0.718 89 HB2 LEU 13 HB2 LEU 13 2.084 -2.155 -0.246 90 HB3 LEU 13 HB3 LEU 13 2.370 -0.989 -1.538 91 HG LEU 13 HG LEU 13 4.724 -2.590 -1.274 92 HD11 LEU 13 HD11 LEU 13 3.868 -4.821 -1.666 93 HD12 LEU 13 HD12 LEU 13 2.205 -4.233 -1.668 94 HD13 LEU 13 HD13 LEU 13 3.145 -4.217 -0.175 95 HD21 LEU 13 HD21 LEU 13 4.210 -3.134 -3.610 96 HD22 LEU 13 HD22 LEU 13 3.876 -1.428 -3.309 97 HD23 LEU 13 HD23 LEU 13 2.548 -2.586 -3.393 98 H ALA 14 H ALA 14 3.175 1.473 -0.907 99 HA ALA 14 HA ALA 14 5.249 1.785 -2.828 100 HB1 ALA 14 HB1 ALA 14 3.666 3.792 -1.186 101 HB2 ALA 14 HB2 ALA 14 3.238 3.159 -2.775 102 HB3 ALA 14 HB3 ALA 14 4.633 4.223 -2.597 103 H ALA 15 H ALA 15 5.127 2.767 0.608 104 HA ALA 15 HA ALA 15 7.808 3.942 0.574 105 HB1 ALA 15 HB1 ALA 15 7.365 4.239 2.950 106 HB2 ALA 15 HB2 ALA 15 6.062 3.051 2.895 107 HB3 ALA 15 HB3 ALA 15 5.880 4.599 2.068 108 H TYR 16 H TYR 16 6.355 0.836 1.553 109 HA TYR 16 HA TYR 16 8.720 -0.278 2.782 110 HB2 TYR 16 HB2 TYR 16 6.257 -0.983 2.957 111 HB3 TYR 16 HB3 TYR 16 6.470 -1.757 1.387 112 HD1 TYR 16 HD2 TYR 16 7.672 -1.709 4.904 113 HD2 TYR 16 HD1 TYR 16 7.648 -3.827 1.168 114 HE1 TYR 16 HE2 TYR 16 8.692 -3.678 6.014 115 HE2 TYR 16 HE1 TYR 16 8.668 -5.796 2.278 116 HH TYR 16 HH TYR 16 8.603 -6.508 5.179 117 H CYS 17 H CYS 17 7.285 -0.659 -0.484 118 HA CYS 17 HA CYS 17 9.296 -2.366 -1.583 119 HB2 CYS 17 HB2 CYS 17 6.994 -1.766 -2.480 120 HB3 CYS 17 HB3 CYS 17 7.679 -0.229 -3.007 121 HG CYS 17 HG CYS 17 9.354 -1.626 -4.536 122 H LEU 18 H LEU 18 9.276 1.112 -1.010 123 HA LEU 18 HA LEU 18 11.491 1.732 -2.806 124 HB2 LEU 18 HB2 LEU 18 9.530 3.144 -1.610 125 HB3 LEU 18 HB3 LEU 18 10.816 3.424 -0.439 126 HG LEU 18 HG LEU 18 12.175 3.838 -2.761 127 HD11 LEU 18 HD11 LEU 18 10.843 4.940 -4.378 128 HD12 LEU 18 HD12 LEU 18 9.479 5.099 -3.271 129 HD13 LEU 18 HD13 LEU 18 9.895 3.520 -3.937 130 HD21 LEU 18 HD21 LEU 18 11.414 6.344 -2.321 131 HD22 LEU 18 HD22 LEU 18 12.403 5.487 -1.139 132 HD23 LEU 18 HD23 LEU 18 10.663 5.632 -0.893 133 H SER 19 H SER 19 11.166 1.422 0.751 134 HA SER 19 HA SER 19 14.045 1.652 1.212 135 HB2 SER 19 HB2 SER 19 12.195 2.363 2.766 136 HB3 SER 19 HB3 SER 19 11.811 0.663 3.016 137 HG SER 19 HG SER 19 13.683 2.146 4.199 138 H THR 20 H THR 20 11.686 -1.045 1.448 139 HA THR 20 HA THR 20 13.708 -3.053 2.020 140 HB THR 20 HB THR 20 10.922 -3.462 0.903 141 HG1 THR 20 HG1 THR 20 10.339 -2.335 2.580 142 HG21 THR 20 HG21 THR 20 12.691 -5.045 2.787 143 HG22 THR 20 HG22 THR 20 12.247 -5.487 1.138 144 HG23 THR 20 HG23 THR 20 11.020 -5.458 2.404 145 H GLY 21 H GLY 21 12.146 -1.867 -0.942 146 HA2 GLY 21 HA2 GLY 21 13.006 -3.992 -2.671 147 HA3 GLY 21 HA3 GLY 21 12.534 -2.378 -3.199 148 H SER 22 H SER 22 14.539 -0.936 -1.674 149 HA SER 22 HA SER 22 16.804 -1.242 -3.501 150 HB2 SER 22 HB2 SER 22 15.674 0.838 -2.237 151 HB3 SER 22 HB3 SER 22 16.905 0.452 -1.039 152 HG SER 22 HG SER 22 18.464 0.633 -2.684 Start of MODEL 3 1 HA SER 1 HA SER 1 -16.016 1.525 0.446 2 HB2 SER 1 HB2 SER 1 -17.394 -0.667 0.073 3 HB3 SER 1 HB3 SER 1 -18.269 0.837 0.342 4 HG SER 1 HG SER 1 -18.917 -0.529 -1.517 5 H THR 2 H THR 2 -14.735 -0.449 0.788 6 HA THR 2 HA THR 2 -12.952 -1.900 0.266 7 HB THR 2 HB THR 2 -14.252 -2.095 -2.459 8 HG1 THR 2 HG1 THR 2 -15.779 -3.426 -1.539 9 HG21 THR 2 HG21 THR 2 -12.390 -3.520 -2.361 10 HG22 THR 2 HG22 THR 2 -13.713 -4.583 -1.884 11 HG23 THR 2 HG23 THR 2 -12.648 -3.896 -0.657 12 H TRP 3 H TRP 3 -12.721 1.035 -0.423 13 HA TRP 3 HA TRP 3 -10.581 0.807 -2.518 14 HB2 TRP 3 HB2 TRP 3 -12.729 1.966 -3.191 15 HB3 TRP 3 HB3 TRP 3 -12.403 3.168 -1.944 16 HD1 TRP 3 HD1 TRP 3 -11.451 2.163 -5.433 17 HE1 TRP 3 HE1 TRP 3 -9.730 3.831 -6.381 18 HE3 TRP 3 HE3 TRP 3 -10.326 4.775 -1.191 19 HZ2 TRP 3 HZ2 TRP 3 -8.091 5.988 -5.460 20 HZ3 TRP 3 HZ3 TRP 3 -8.683 6.628 -1.254 21 HH2 TRP 3 HH2 TRP 3 -7.565 7.239 -3.382 22 H VAL 4 H VAL 4 -11.743 2.855 0.196 23 HA VAL 4 HA VAL 4 -9.292 4.233 0.670 24 HB VAL 4 HB VAL 4 -11.594 4.800 1.509 25 HG11 VAL 4 HG11 VAL 4 -11.060 2.708 3.633 26 HG12 VAL 4 HG12 VAL 4 -12.100 2.419 2.240 27 HG13 VAL 4 HG13 VAL 4 -12.522 3.668 3.411 28 HG21 VAL 4 HG21 VAL 4 -9.477 4.517 3.665 29 HG22 VAL 4 HG22 VAL 4 -10.837 5.639 3.693 30 HG23 VAL 4 HG23 VAL 4 -9.561 5.829 2.490 31 H LEU 5 H LEU 5 -10.457 1.082 1.851 32 HA LEU 5 HA LEU 5 -8.295 0.703 3.765 33 HB2 LEU 5 HB2 LEU 5 -10.656 -0.356 3.640 34 HB3 LEU 5 HB3 LEU 5 -9.964 -1.437 2.431 35 HG LEU 5 HG LEU 5 -8.142 -1.975 4.125 36 HD11 LEU 5 HD11 LEU 5 -10.060 -0.408 5.869 37 HD12 LEU 5 HD12 LEU 5 -8.334 -0.129 5.642 38 HD13 LEU 5 HD13 LEU 5 -8.888 -1.549 6.528 39 HD21 LEU 5 HD21 LEU 5 -9.884 -3.589 3.749 40 HD22 LEU 5 HD22 LEU 5 -11.048 -2.641 4.675 41 HD23 LEU 5 HD23 LEU 5 -9.707 -3.440 5.496 42 H VAL 6 H VAL 6 -8.944 -0.472 0.446 43 HA VAL 6 HA VAL 6 -6.502 -2.001 0.208 44 HB VAL 6 HB VAL 6 -8.359 -0.760 -1.855 45 HG11 VAL 6 HG11 VAL 6 -6.419 -3.070 -2.180 46 HG12 VAL 6 HG12 VAL 6 -6.088 -1.426 -2.724 47 HG13 VAL 6 HG13 VAL 6 -7.419 -2.340 -3.436 48 HG21 VAL 6 HG21 VAL 6 -9.318 -2.420 -0.153 49 HG22 VAL 6 HG22 VAL 6 -8.264 -3.629 -0.887 50 HG23 VAL 6 HG23 VAL 6 -9.521 -2.851 -1.850 51 H GLY 7 H GLY 7 -7.428 1.315 -0.644 52 HA2 GLY 7 HA2 GLY 7 -5.021 2.035 -2.019 53 HA3 GLY 7 HA3 GLY 7 -6.136 3.174 -1.260 54 H GLY 8 H GLY 8 -5.957 2.208 1.421 55 HA2 GLY 8 HA2 GLY 8 -3.633 3.583 2.358 56 HA3 GLY 8 HA3 GLY 8 -4.645 2.523 3.341 57 H VAL 9 H VAL 9 -4.336 0.077 2.116 58 HA VAL 9 HA VAL 9 -1.786 -0.837 3.071 59 HB VAL 9 HB VAL 9 -3.852 -2.033 1.186 60 HG11 VAL 9 HG11 VAL 9 -1.966 -3.360 0.772 61 HG12 VAL 9 HG12 VAL 9 -2.734 -4.215 2.110 62 HG13 VAL 9 HG13 VAL 9 -1.348 -3.167 2.413 63 HG21 VAL 9 HG21 VAL 9 -4.507 -1.435 3.581 64 HG22 VAL 9 HG22 VAL 9 -3.334 -2.640 4.109 65 HG23 VAL 9 HG23 VAL 9 -4.722 -3.127 3.137 66 H LEU 10 H LEU 10 -2.981 -0.055 -0.202 67 HA LEU 10 HA LEU 10 -0.723 -0.904 -1.717 68 HB2 LEU 10 HB2 LEU 10 -3.126 0.689 -2.013 69 HB3 LEU 10 HB3 LEU 10 -1.789 1.464 -2.859 70 HG LEU 10 HG LEU 10 -1.288 -0.712 -3.980 71 HD11 LEU 10 HD11 LEU 10 -3.654 -1.541 -2.319 72 HD12 LEU 10 HD12 LEU 10 -2.138 -2.396 -2.599 73 HD13 LEU 10 HD13 LEU 10 -3.358 -2.327 -3.870 74 HD21 LEU 10 HD21 LEU 10 -3.271 -0.663 -5.482 75 HD22 LEU 10 HD22 LEU 10 -2.687 0.960 -5.113 76 HD23 LEU 10 HD23 LEU 10 -4.122 0.332 -4.300 77 H ALA 11 H ALA 11 -1.376 2.174 -0.030 78 HA ALA 11 HA ALA 11 1.039 3.516 -0.903 79 HB1 ALA 11 HB1 ALA 11 -0.556 4.000 1.627 80 HB2 ALA 11 HB2 ALA 11 -1.152 4.474 0.036 81 HB3 ALA 11 HB3 ALA 11 0.334 5.183 0.669 82 H ALA 12 H ALA 12 0.193 1.518 1.928 83 HA ALA 12 HA ALA 12 2.549 1.945 3.484 84 HB1 ALA 12 HB1 ALA 12 1.816 -0.039 4.636 85 HB2 ALA 12 HB2 ALA 12 0.976 -0.633 3.204 86 HB3 ALA 12 HB3 ALA 12 0.354 0.771 4.072 87 H LEU 13 H LEU 13 1.843 -0.374 0.866 88 HA LEU 13 HA LEU 13 4.411 -1.732 1.005 89 HB2 LEU 13 HB2 LEU 13 2.137 -2.512 0.058 90 HB3 LEU 13 HB3 LEU 13 2.535 -1.547 -1.363 91 HG LEU 13 HG LEU 13 4.809 -2.854 -1.287 92 HD11 LEU 13 HD11 LEU 13 4.377 -5.218 -0.439 93 HD12 LEU 13 HD12 LEU 13 2.956 -4.572 0.382 94 HD13 LEU 13 HD13 LEU 13 4.564 -3.989 0.812 95 HD21 LEU 13 HD21 LEU 13 3.857 -4.559 -2.750 96 HD22 LEU 13 HD22 LEU 13 3.034 -3.028 -3.045 97 HD23 LEU 13 HD23 LEU 13 2.249 -4.280 -2.081 98 H ALA 14 H ALA 14 3.123 1.032 -0.838 99 HA ALA 14 HA ALA 14 5.186 1.303 -2.777 100 HB1 ALA 14 HB1 ALA 14 4.405 3.648 -2.847 101 HB2 ALA 14 HB2 ALA 14 3.600 3.430 -1.293 102 HB3 ALA 14 HB3 ALA 14 3.035 2.545 -2.711 103 H ALA 15 H ALA 15 5.001 2.463 0.592 104 HA ALA 15 HA ALA 15 7.615 3.795 0.478 105 HB1 ALA 15 HB1 ALA 15 5.881 2.996 2.842 106 HB2 ALA 15 HB2 ALA 15 5.649 4.472 1.905 107 HB3 ALA 15 HB3 ALA 15 7.134 4.237 2.828 108 H TYR 16 H TYR 16 6.308 0.719 1.761 109 HA TYR 16 HA TYR 16 8.749 -0.154 3.033 110 HB2 TYR 16 HB2 TYR 16 6.247 -0.958 3.192 111 HB3 TYR 16 HB3 TYR 16 6.691 -2.010 1.847 112 HD1 TYR 16 HD1 TYR 16 8.828 -3.453 2.125 113 HD2 TYR 16 HD2 TYR 16 6.785 -1.569 5.401 114 HE1 TYR 16 HE1 TYR 16 9.935 -5.006 3.707 115 HE2 TYR 16 HE2 TYR 16 7.892 -3.125 6.984 116 HH TYR 16 HH TYR 16 9.064 -5.823 6.393 117 H CYS 17 H CYS 17 7.324 -0.829 -0.191 118 HA CYS 17 HA CYS 17 9.349 -2.586 -1.167 119 HB2 CYS 17 HB2 CYS 17 7.094 -2.068 -2.168 120 HB3 CYS 17 HB3 CYS 17 7.733 -0.509 -2.689 121 HG CYS 17 HG CYS 17 7.989 -2.799 -4.383 122 H LEU 18 H LEU 18 9.168 0.963 -1.061 123 HA LEU 18 HA LEU 18 11.481 1.533 -2.674 124 HB2 LEU 18 HB2 LEU 18 9.471 2.943 -1.536 125 HB3 LEU 18 HB3 LEU 18 10.743 3.275 -0.365 126 HG LEU 18 HG LEU 18 12.227 3.870 -2.371 127 HD11 LEU 18 HD11 LEU 18 10.951 2.890 -4.163 128 HD12 LEU 18 HD12 LEU 18 10.874 4.640 -4.373 129 HD13 LEU 18 HD13 LEU 18 9.499 3.773 -3.688 130 HD21 LEU 18 HD21 LEU 18 11.342 6.143 -2.473 131 HD22 LEU 18 HD22 LEU 18 11.168 5.532 -0.827 132 HD23 LEU 18 HD23 LEU 18 9.768 5.588 -1.900 133 H SER 19 H SER 19 11.029 1.056 0.831 134 HA SER 19 HA SER 19 13.706 1.599 1.678 135 HB2 SER 19 HB2 SER 19 11.802 1.458 3.195 136 HB3 SER 19 HB3 SER 19 11.520 -0.220 2.746 137 HG SER 19 HG SER 19 13.238 -0.829 3.889 138 H THR 20 H THR 20 12.135 -1.530 0.861 139 HA THR 20 HA THR 20 14.530 -3.118 1.197 140 HB THR 20 HB THR 20 12.139 -3.750 -0.554 141 HG1 THR 20 HG1 THR 20 10.939 -3.680 1.149 142 HG21 THR 20 HG21 THR 20 13.966 -5.390 -0.527 143 HG22 THR 20 HG22 THR 20 12.551 -6.035 0.306 144 HG23 THR 20 HG23 THR 20 13.920 -5.427 1.236 145 H GLY 21 H GLY 21 13.135 -1.346 -1.537 146 HA2 GLY 21 HA2 GLY 21 14.673 -2.562 -3.624 147 HA3 GLY 21 HA3 GLY 21 13.943 -0.960 -3.703 148 H SER 22 H SER 22 15.344 0.182 -1.456 149 HA SER 22 HA SER 22 17.876 0.849 -2.771 150 HB2 SER 22 HB2 SER 22 16.360 1.682 -0.307 151 HB3 SER 22 HB3 SER 22 18.026 2.207 -0.529 152 HG SER 22 HG SER 22 15.755 2.712 -2.136 Start of MODEL 4 1 HA SER 1 HA SER 1 -15.771 2.579 1.645 2 HB2 SER 1 HB2 SER 1 -13.338 4.214 0.899 3 HB3 SER 1 HB3 SER 1 -14.810 3.974 -0.037 4 HG SER 1 HG SER 1 -15.210 5.868 0.878 5 H THR 2 H THR 2 -15.151 0.934 0.166 6 HA THR 2 HA THR 2 -13.136 -0.922 0.987 7 HB THR 2 HB THR 2 -14.312 -0.629 -1.787 8 HG1 THR 2 HG1 THR 2 -16.121 -1.669 -0.988 9 HG21 THR 2 HG21 THR 2 -14.265 -3.125 -1.665 10 HG22 THR 2 HG22 THR 2 -13.463 -2.998 -0.099 11 HG23 THR 2 HG23 THR 2 -12.661 -2.401 -1.551 12 H TRP 3 H TRP 3 -13.143 1.540 -1.586 13 HA TRP 3 HA TRP 3 -10.549 0.946 -2.667 14 HB2 TRP 3 HB2 TRP 3 -12.528 3.182 -2.702 15 HB3 TRP 3 HB3 TRP 3 -10.883 3.573 -3.201 16 HD1 TRP 3 HD1 TRP 3 -14.025 2.175 -4.493 17 HE1 TRP 3 HE1 TRP 3 -13.661 1.075 -6.797 18 HE3 TRP 3 HE3 TRP 3 -8.920 1.992 -4.592 19 HZ2 TRP 3 HZ2 TRP 3 -11.494 0.231 -8.461 20 HZ3 TRP 3 HZ3 TRP 3 -7.735 1.036 -6.548 21 HH2 TRP 3 HH2 TRP 3 -9.015 0.156 -8.480 22 H VAL 4 H VAL 4 -11.606 3.193 -0.092 23 HA VAL 4 HA VAL 4 -9.072 4.429 0.403 24 HB VAL 4 HB VAL 4 -11.501 3.859 2.134 25 HG11 VAL 4 HG11 VAL 4 -9.008 5.474 2.695 26 HG12 VAL 4 HG12 VAL 4 -9.760 4.240 3.707 27 HG13 VAL 4 HG13 VAL 4 -10.536 5.811 3.508 28 HG21 VAL 4 HG21 VAL 4 -12.035 6.207 1.666 29 HG22 VAL 4 HG22 VAL 4 -11.816 5.337 0.148 30 HG23 VAL 4 HG23 VAL 4 -10.535 6.387 0.754 31 H LEU 5 H LEU 5 -10.546 1.445 1.701 32 HA LEU 5 HA LEU 5 -8.512 0.872 3.658 33 HB2 LEU 5 HB2 LEU 5 -10.843 -0.392 2.400 34 HB3 LEU 5 HB3 LEU 5 -9.581 -1.554 2.806 35 HG LEU 5 HG LEU 5 -9.535 -0.198 5.091 36 HD11 LEU 5 HD11 LEU 5 -12.348 0.235 4.034 37 HD12 LEU 5 HD12 LEU 5 -11.166 1.493 4.400 38 HD13 LEU 5 HD13 LEU 5 -11.841 0.512 5.701 39 HD21 LEU 5 HD21 LEU 5 -11.763 -2.152 4.429 40 HD22 LEU 5 HD22 LEU 5 -11.057 -1.861 6.020 41 HD23 LEU 5 HD23 LEU 5 -10.092 -2.617 4.752 42 H VAL 6 H VAL 6 -8.975 -0.331 0.306 43 HA VAL 6 HA VAL 6 -6.547 -1.887 0.241 44 HB VAL 6 HB VAL 6 -8.292 -0.663 -1.921 45 HG11 VAL 6 HG11 VAL 6 -7.191 -2.758 -3.158 46 HG12 VAL 6 HG12 VAL 6 -5.876 -2.423 -2.032 47 HG13 VAL 6 HG13 VAL 6 -6.408 -1.178 -3.162 48 HG21 VAL 6 HG21 VAL 6 -8.247 -3.303 -0.456 49 HG22 VAL 6 HG22 VAL 6 -8.972 -3.170 -2.058 50 HG23 VAL 6 HG23 VAL 6 -9.609 -2.214 -0.721 51 H GLY 7 H GLY 7 -7.317 1.457 -0.644 52 HA2 GLY 7 HA2 GLY 7 -4.837 2.085 -1.936 53 HA3 GLY 7 HA3 GLY 7 -5.930 3.265 -1.210 54 H GLY 8 H GLY 8 -5.891 2.333 1.469 55 HA2 GLY 8 HA2 GLY 8 -3.534 3.584 2.488 56 HA3 GLY 8 HA3 GLY 8 -4.632 2.579 3.436 57 H VAL 9 H VAL 9 -4.402 0.121 2.204 58 HA VAL 9 HA VAL 9 -1.909 -0.899 3.237 59 HB VAL 9 HB VAL 9 -4.016 -2.038 1.360 60 HG11 VAL 9 HG11 VAL 9 -1.630 -3.303 2.712 61 HG12 VAL 9 HG12 VAL 9 -2.119 -3.416 1.022 62 HG13 VAL 9 HG13 VAL 9 -3.044 -4.256 2.265 63 HG21 VAL 9 HG21 VAL 9 -3.562 -2.600 4.302 64 HG22 VAL 9 HG22 VAL 9 -4.963 -3.038 3.324 65 HG23 VAL 9 HG23 VAL 9 -4.666 -1.349 3.733 66 H LEU 10 H LEU 10 -3.066 -0.199 -0.073 67 HA LEU 10 HA LEU 10 -0.819 -1.150 -1.538 68 HB2 LEU 10 HB2 LEU 10 -3.103 0.693 -1.884 69 HB3 LEU 10 HB3 LEU 10 -1.726 1.063 -2.919 70 HG LEU 10 HG LEU 10 -2.894 -1.720 -2.669 71 HD11 LEU 10 HD11 LEU 10 -3.420 0.353 -4.822 72 HD12 LEU 10 HD12 LEU 10 -4.572 -0.102 -3.567 73 HD13 LEU 10 HD13 LEU 10 -4.064 -1.289 -4.769 74 HD21 LEU 10 HD21 LEU 10 -0.664 -1.790 -3.524 75 HD22 LEU 10 HD22 LEU 10 -0.925 -0.363 -4.526 76 HD23 LEU 10 HD23 LEU 10 -1.708 -1.887 -4.941 77 H ALA 11 H ALA 11 -1.432 2.024 -0.018 78 HA ALA 11 HA ALA 11 1.020 3.275 -0.902 79 HB1 ALA 11 HB1 ALA 11 -1.060 4.423 -0.114 80 HB2 ALA 11 HB2 ALA 11 0.376 4.968 0.753 81 HB3 ALA 11 HB3 ALA 11 -0.735 3.831 1.515 82 H ALA 12 H ALA 12 0.121 1.385 1.987 83 HA ALA 12 HA ALA 12 2.444 1.855 3.572 84 HB1 ALA 12 HB1 ALA 12 0.282 0.706 4.205 85 HB2 ALA 12 HB2 ALA 12 1.727 -0.164 4.721 86 HB3 ALA 12 HB3 ALA 12 0.834 -0.705 3.300 87 H LEU 13 H LEU 13 1.810 -0.553 1.012 88 HA LEU 13 HA LEU 13 4.416 -1.841 1.245 89 HB2 LEU 13 HB2 LEU 13 1.953 -2.381 0.091 90 HB3 LEU 13 HB3 LEU 13 2.972 -2.056 -1.310 91 HG LEU 13 HG LEU 13 3.936 -3.878 0.888 92 HD11 LEU 13 HD11 LEU 13 1.615 -4.534 -0.082 93 HD12 LEU 13 HD12 LEU 13 2.886 -5.756 -0.072 94 HD13 LEU 13 HD13 LEU 13 2.502 -4.895 -1.562 95 HD21 LEU 13 HD21 LEU 13 4.467 -4.140 -2.059 96 HD22 LEU 13 HD22 LEU 13 5.495 -4.589 -0.699 97 HD23 LEU 13 HD23 LEU 13 5.309 -2.893 -1.141 98 H ALA 14 H ALA 14 3.048 0.775 -0.748 99 HA ALA 14 HA ALA 14 5.084 1.004 -2.712 100 HB1 ALA 14 HB1 ALA 14 2.901 2.215 -2.638 101 HB2 ALA 14 HB2 ALA 14 4.255 3.317 -2.892 102 HB3 ALA 14 HB3 ALA 14 3.510 3.188 -1.298 103 H ALA 15 H ALA 15 4.921 2.328 0.598 104 HA ALA 15 HA ALA 15 7.514 3.684 0.403 105 HB1 ALA 15 HB1 ALA 15 7.067 3.937 2.898 106 HB2 ALA 15 HB2 ALA 15 5.594 2.998 2.653 107 HB3 ALA 15 HB3 ALA 15 5.788 4.559 1.855 108 H TYR 16 H TYR 16 6.275 0.644 1.830 109 HA TYR 16 HA TYR 16 8.725 -0.183 3.091 110 HB2 TYR 16 HB2 TYR 16 6.656 -1.221 3.706 111 HB3 TYR 16 HB3 TYR 16 6.264 -1.599 2.028 112 HD1 TYR 16 HD1 TYR 16 8.932 -2.252 4.588 113 HD2 TYR 16 HD2 TYR 16 6.720 -3.743 1.220 114 HE1 TYR 16 HE1 TYR 16 10.078 -4.439 4.802 115 HE2 TYR 16 HE2 TYR 16 7.865 -5.932 1.438 116 HH TYR 16 HH TYR 16 10.524 -6.481 2.787 117 H CYS 17 H CYS 17 7.287 -1.065 -0.080 118 HA CYS 17 HA CYS 17 9.403 -2.703 -1.048 119 HB2 CYS 17 HB2 CYS 17 7.068 -2.317 -1.984 120 HB3 CYS 17 HB3 CYS 17 7.664 -0.794 -2.644 121 HG CYS 17 HG CYS 17 9.316 -2.136 -4.154 122 H LEU 18 H LEU 18 9.001 0.825 -1.047 123 HA LEU 18 HA LEU 18 11.181 1.507 -2.779 124 HB2 LEU 18 HB2 LEU 18 9.186 2.776 -1.305 125 HB3 LEU 18 HB3 LEU 18 10.670 3.336 -0.540 126 HG LEU 18 HG LEU 18 10.301 3.362 -3.541 127 HD11 LEU 18 HD11 LEU 18 9.568 5.641 -3.409 128 HD12 LEU 18 HD12 LEU 18 9.862 5.703 -1.671 129 HD13 LEU 18 HD13 LEU 18 8.541 4.723 -2.309 130 HD21 LEU 18 HD21 LEU 18 12.063 5.082 -1.779 131 HD22 LEU 18 HD22 LEU 18 12.182 4.837 -3.521 132 HD23 LEU 18 HD23 LEU 18 12.603 3.528 -2.416 133 H SER 19 H SER 19 11.006 1.074 0.767 134 HA SER 19 HA SER 19 13.764 1.723 1.309 135 HB2 SER 19 HB2 SER 19 11.448 0.441 2.679 136 HB3 SER 19 HB3 SER 19 13.041 0.116 3.356 137 HG SER 19 HG SER 19 11.668 2.168 3.887 138 H THR 20 H THR 20 12.124 -1.296 0.394 139 HA THR 20 HA THR 20 14.265 -3.114 1.004 140 HB THR 20 HB THR 20 12.077 -3.202 -1.105 141 HG1 THR 20 HG1 THR 20 10.814 -3.754 0.482 142 HG21 THR 20 HG21 THR 20 12.364 -5.660 -0.942 143 HG22 THR 20 HG22 THR 20 13.738 -5.415 0.137 144 HG23 THR 20 HG23 THR 20 13.823 -4.868 -1.538 145 H GLY 21 H GLY 21 13.528 -1.149 -1.875 146 HA2 GLY 21 HA2 GLY 21 15.840 -2.270 -3.334 147 HA3 GLY 21 HA3 GLY 21 14.695 -1.084 -3.962 148 H SER 22 H SER 22 14.811 0.888 -2.002 149 HA SER 22 HA SER 22 16.073 2.775 -1.371 150 HB2 SER 22 HB2 SER 22 17.199 0.627 -0.260 151 HB3 SER 22 HB3 SER 22 18.529 1.054 -1.333 152 HG SER 22 HG SER 22 17.992 2.104 0.984 Start of MODEL 5 1 HA SER 1 HA SER 1 -14.629 1.556 4.800 2 HB2 SER 1 HB2 SER 1 -12.918 3.128 5.707 3 HB3 SER 1 HB3 SER 1 -11.663 2.214 4.876 4 HG SER 1 HG SER 1 -12.974 4.191 3.896 5 H THR 2 H THR 2 -14.022 1.542 2.364 6 HA THR 2 HA THR 2 -12.902 -1.147 1.665 7 HB THR 2 HB THR 2 -14.773 0.644 0.087 8 HG1 THR 2 HG1 THR 2 -15.471 -1.612 1.652 9 HG21 THR 2 HG21 THR 2 -13.605 -1.047 -1.247 10 HG22 THR 2 HG22 THR 2 -15.308 -1.478 -1.084 11 HG23 THR 2 HG23 THR 2 -14.092 -2.305 -0.110 12 H TRP 3 H TRP 3 -13.245 2.104 0.212 13 HA TRP 3 HA TRP 3 -11.056 1.771 -1.643 14 HB2 TRP 3 HB2 TRP 3 -13.151 3.469 -1.365 15 HB3 TRP 3 HB3 TRP 3 -11.868 4.481 -0.699 16 HD1 TRP 3 HD1 TRP 3 -10.368 5.689 -2.372 17 HE1 TRP 3 HE1 TRP 3 -9.996 5.566 -4.920 18 HE3 TRP 3 HE3 TRP 3 -13.223 1.603 -3.487 19 HZ2 TRP 3 HZ2 TRP 3 -10.803 3.951 -7.138 20 HZ3 TRP 3 HZ3 TRP 3 -13.404 0.795 -5.822 21 HH2 TRP 3 HH2 TRP 3 -12.199 1.963 -7.647 22 H VAL 4 H VAL 4 -11.337 3.503 1.482 23 HA VAL 4 HA VAL 4 -8.634 4.451 1.604 24 HB VAL 4 HB VAL 4 -10.703 3.767 3.721 25 HG11 VAL 4 HG11 VAL 4 -8.804 3.869 5.042 26 HG12 VAL 4 HG12 VAL 4 -9.208 5.584 4.962 27 HG13 VAL 4 HG13 VAL 4 -7.950 4.925 3.917 28 HG21 VAL 4 HG21 VAL 4 -11.454 5.524 2.241 29 HG22 VAL 4 HG22 VAL 4 -9.887 6.329 2.316 30 HG23 VAL 4 HG23 VAL 4 -10.928 6.289 3.738 31 H LEU 5 H LEU 5 -10.106 1.353 2.528 32 HA LEU 5 HA LEU 5 -7.803 0.347 3.982 33 HB2 LEU 5 HB2 LEU 5 -10.474 -0.489 3.151 34 HB3 LEU 5 HB3 LEU 5 -9.314 -1.807 3.006 35 HG LEU 5 HG LEU 5 -10.421 -1.667 5.264 36 HD11 LEU 5 HD11 LEU 5 -8.420 -2.140 6.480 37 HD12 LEU 5 HD12 LEU 5 -7.451 -1.113 5.424 38 HD13 LEU 5 HD13 LEU 5 -8.103 -2.635 4.818 39 HD21 LEU 5 HD21 LEU 5 -8.671 0.735 5.770 40 HD22 LEU 5 HD22 LEU 5 -10.039 0.147 6.714 41 HD23 LEU 5 HD23 LEU 5 -10.314 0.937 5.163 42 H VAL 6 H VAL 6 -9.055 -0.238 0.663 43 HA VAL 6 HA VAL 6 -6.868 -1.949 -0.135 44 HB VAL 6 HB VAL 6 -8.905 -0.282 -1.645 45 HG11 VAL 6 HG11 VAL 6 -8.253 -2.104 -3.462 46 HG12 VAL 6 HG12 VAL 6 -6.715 -2.094 -2.599 47 HG13 VAL 6 HG13 VAL 6 -7.329 -0.607 -3.322 48 HG21 VAL 6 HG21 VAL 6 -10.004 -2.009 -0.432 49 HG22 VAL 6 HG22 VAL 6 -8.721 -3.171 -0.771 50 HG23 VAL 6 HG23 VAL 6 -9.810 -2.660 -2.059 51 H GLY 7 H GLY 7 -7.528 1.519 -0.618 52 HA2 GLY 7 HA2 GLY 7 -5.108 2.052 -2.099 53 HA3 GLY 7 HA3 GLY 7 -6.119 3.270 -1.317 54 H GLY 8 H GLY 8 -5.960 2.169 1.353 55 HA2 GLY 8 HA2 GLY 8 -3.589 3.430 2.310 56 HA3 GLY 8 HA3 GLY 8 -4.601 2.337 3.256 57 H VAL 9 H VAL 9 -4.350 -0.050 1.886 58 HA VAL 9 HA VAL 9 -1.786 -1.029 2.752 59 HB VAL 9 HB VAL 9 -3.948 -2.116 0.913 60 HG11 VAL 9 HG11 VAL 9 -2.798 -4.357 1.605 61 HG12 VAL 9 HG12 VAL 9 -1.387 -3.348 1.914 62 HG13 VAL 9 HG13 VAL 9 -2.086 -3.413 0.297 63 HG21 VAL 9 HG21 VAL 9 -3.265 -3.016 3.713 64 HG22 VAL 9 HG22 VAL 9 -4.773 -3.234 2.824 65 HG23 VAL 9 HG23 VAL 9 -4.335 -1.640 3.438 66 H LEU 10 H LEU 10 -3.056 -0.117 -0.459 67 HA LEU 10 HA LEU 10 -0.852 -0.926 -2.066 68 HB2 LEU 10 HB2 LEU 10 -3.211 0.793 -2.208 69 HB3 LEU 10 HB3 LEU 10 -1.874 1.454 -3.148 70 HG LEU 10 HG LEU 10 -2.582 -1.465 -3.371 71 HD11 LEU 10 HD11 LEU 10 -3.854 0.835 -4.890 72 HD12 LEU 10 HD12 LEU 10 -4.677 -0.257 -3.776 73 HD13 LEU 10 HD13 LEU 10 -4.035 -0.872 -5.299 74 HD21 LEU 10 HD21 LEU 10 -0.510 -0.826 -4.411 75 HD22 LEU 10 HD22 LEU 10 -1.242 0.608 -5.129 76 HD23 LEU 10 HD23 LEU 10 -1.691 -0.996 -5.710 77 H ALA 11 H ALA 11 -1.437 2.122 -0.297 78 HA ALA 11 HA ALA 11 1.006 3.427 -1.154 79 HB1 ALA 11 HB1 ALA 11 0.390 4.928 0.806 80 HB2 ALA 11 HB2 ALA 11 -0.935 3.815 1.145 81 HB3 ALA 11 HB3 ALA 11 -0.895 4.702 -0.380 82 H ALA 12 H ALA 12 0.117 1.393 1.634 83 HA ALA 12 HA ALA 12 2.451 1.785 3.232 84 HB1 ALA 12 HB1 ALA 12 0.281 0.621 3.823 85 HB2 ALA 12 HB2 ALA 12 1.724 -0.276 4.296 86 HB3 ALA 12 HB3 ALA 12 0.823 -0.751 2.856 87 H LEU 13 H LEU 13 1.779 -0.512 0.579 88 HA LEU 13 HA LEU 13 4.345 -1.866 0.727 89 HB2 LEU 13 HB2 LEU 13 1.940 -2.375 -0.396 90 HB3 LEU 13 HB3 LEU 13 2.775 -1.728 -1.809 91 HG LEU 13 HG LEU 13 4.292 -3.705 -0.185 92 HD11 LEU 13 HD11 LEU 13 2.020 -4.686 -0.210 93 HD12 LEU 13 HD12 LEU 13 3.128 -5.610 -1.224 94 HD13 LEU 13 HD13 LEU 13 1.967 -4.507 -1.964 95 HD21 LEU 13 HD21 LEU 13 4.900 -4.468 -2.492 96 HD22 LEU 13 HD22 LEU 13 5.243 -2.759 -2.226 97 HD23 LEU 13 HD23 LEU 13 3.818 -3.239 -3.148 98 H ALA 14 H ALA 14 3.099 0.932 -1.098 99 HA ALA 14 HA ALA 14 5.229 1.227 -2.970 100 HB1 ALA 14 HB1 ALA 14 3.624 3.376 -1.540 101 HB2 ALA 14 HB2 ALA 14 3.028 2.441 -2.913 102 HB3 ALA 14 HB3 ALA 14 4.403 3.527 -3.116 103 H ALA 15 H ALA 15 4.886 2.405 0.384 104 HA ALA 15 HA ALA 15 7.503 3.733 0.393 105 HB1 ALA 15 HB1 ALA 15 6.921 4.021 2.806 106 HB2 ALA 15 HB2 ALA 15 5.535 2.954 2.578 107 HB3 ALA 15 HB3 ALA 15 5.597 4.509 1.747 108 H TYR 16 H TYR 16 6.137 0.662 1.621 109 HA TYR 16 HA TYR 16 8.474 -0.255 3.016 110 HB2 TYR 16 HB2 TYR 16 6.063 -1.112 3.083 111 HB3 TYR 16 HB3 TYR 16 6.406 -1.932 1.560 112 HD1 TYR 16 HD2 TYR 16 7.983 -3.803 1.455 113 HD2 TYR 16 HD1 TYR 16 7.133 -1.812 5.166 114 HE1 TYR 16 HE2 TYR 16 9.052 -5.663 2.698 115 HE2 TYR 16 HE1 TYR 16 8.201 -3.674 6.409 116 HH TYR 16 HH TYR 16 10.238 -5.676 5.323 117 H CYS 17 H CYS 17 7.316 -0.855 -0.324 118 HA CYS 17 HA CYS 17 9.501 -2.499 -1.183 119 HB2 CYS 17 HB2 CYS 17 7.249 -2.104 -2.283 120 HB3 CYS 17 HB3 CYS 17 7.855 -0.536 -2.813 121 HG CYS 17 HG CYS 17 9.797 -1.918 -4.090 122 H LEU 18 H LEU 18 9.081 1.028 -1.054 123 HA LEU 18 HA LEU 18 11.364 1.798 -2.606 124 HB2 LEU 18 HB2 LEU 18 9.274 2.976 -1.146 125 HB3 LEU 18 HB3 LEU 18 10.738 3.547 -0.352 126 HG LEU 18 HG LEU 18 11.464 3.842 -2.956 127 HD11 LEU 18 HD11 LEU 18 9.235 3.108 -3.749 128 HD12 LEU 18 HD12 LEU 18 9.552 4.787 -4.183 129 HD13 LEU 18 HD13 LEU 18 8.486 4.413 -2.829 130 HD21 LEU 18 HD21 LEU 18 10.060 5.687 -1.027 131 HD22 LEU 18 HD22 LEU 18 10.550 6.265 -2.619 132 HD23 LEU 18 HD23 LEU 18 11.762 5.660 -1.490 133 H SER 19 H SER 19 10.982 1.115 0.876 134 HA SER 19 HA SER 19 13.754 1.746 1.540 135 HB2 SER 19 HB2 SER 19 11.310 0.659 2.866 136 HB3 SER 19 HB3 SER 19 12.858 0.322 3.638 137 HG SER 19 HG SER 19 13.035 2.363 4.149 138 H THR 20 H THR 20 11.927 -1.255 0.873 139 HA THR 20 HA THR 20 13.993 -3.115 1.583 140 HB THR 20 HB THR 20 11.719 -3.246 -0.432 141 HG1 THR 20 HG1 THR 20 10.740 -3.112 1.448 142 HG21 THR 20 HG21 THR 20 13.380 -5.461 0.808 143 HG22 THR 20 HG22 THR 20 13.363 -5.001 -0.895 144 HG23 THR 20 HG23 THR 20 11.925 -5.707 -0.158 145 H GLY 21 H GLY 21 13.415 -1.222 -1.357 146 HA2 GLY 21 HA2 GLY 21 15.326 -2.680 -2.991 147 HA3 GLY 21 HA3 GLY 21 14.607 -1.119 -3.387 148 H SER 22 H SER 22 15.456 0.216 -0.939 149 HA SER 22 HA SER 22 18.205 0.879 -1.737 150 HB2 SER 22 HB2 SER 22 16.252 1.857 0.359 151 HB3 SER 22 HB3 SER 22 17.876 2.520 0.206 152 HG SER 22 HG SER 22 15.712 2.609 -1.598 Start of MODEL 6 1 HA SER 1 HA SER 1 -15.331 1.651 -2.658 2 HB2 SER 1 HB2 SER 1 -17.641 0.087 -1.936 3 HB3 SER 1 HB3 SER 1 -16.415 -0.084 -0.684 4 HG SER 1 HG SER 1 -16.473 2.051 -0.317 5 H THR 2 H THR 2 -13.860 -0.415 -4.063 6 HA THR 2 HA THR 2 -12.579 -1.942 -1.826 7 HB THR 2 HB THR 2 -12.251 -2.431 -4.791 8 HG1 THR 2 HG1 THR 2 -14.069 -3.680 -4.734 9 HG21 THR 2 HG21 THR 2 -10.834 -3.925 -3.808 10 HG22 THR 2 HG22 THR 2 -12.316 -4.846 -3.547 11 HG23 THR 2 HG23 THR 2 -11.663 -3.841 -2.252 12 H TRP 3 H TRP 3 -12.046 0.966 -2.829 13 HA TRP 3 HA TRP 3 -9.139 0.609 -3.468 14 HB2 TRP 3 HB2 TRP 3 -9.300 2.729 -4.618 15 HB3 TRP 3 HB3 TRP 3 -10.658 1.740 -5.141 16 HD1 TRP 3 HD1 TRP 3 -9.835 4.654 -2.765 17 HE1 TRP 3 HE1 TRP 3 -11.985 6.020 -2.376 18 HE3 TRP 3 HE3 TRP 3 -13.205 1.733 -5.259 19 HZ2 TRP 3 HZ2 TRP 3 -14.764 5.894 -3.035 20 HZ3 TRP 3 HZ3 TRP 3 -15.594 2.385 -5.365 21 HH2 TRP 3 HH2 TRP 3 -16.376 4.459 -4.256 22 H VAL 4 H VAL 4 -11.265 1.537 -0.969 23 HA VAL 4 HA VAL 4 -9.560 3.617 0.216 24 HB VAL 4 HB VAL 4 -11.941 2.040 1.266 25 HG11 VAL 4 HG11 VAL 4 -12.156 3.939 2.860 26 HG12 VAL 4 HG12 VAL 4 -10.642 4.603 2.244 27 HG13 VAL 4 HG13 VAL 4 -10.648 3.053 3.086 28 HG21 VAL 4 HG21 VAL 4 -11.786 4.808 0.023 29 HG22 VAL 4 HG22 VAL 4 -13.246 4.027 0.632 30 HG23 VAL 4 HG23 VAL 4 -12.418 3.371 -0.781 31 H LEU 5 H LEU 5 -10.519 0.279 1.150 32 HA LEU 5 HA LEU 5 -8.653 0.045 3.327 33 HB2 LEU 5 HB2 LEU 5 -10.732 -1.426 2.132 34 HB3 LEU 5 HB3 LEU 5 -9.310 -2.454 1.970 35 HG LEU 5 HG LEU 5 -10.453 -2.914 4.093 36 HD11 LEU 5 HD11 LEU 5 -7.785 -2.554 3.778 37 HD12 LEU 5 HD12 LEU 5 -8.513 -3.093 5.292 38 HD13 LEU 5 HD13 LEU 5 -8.096 -1.393 5.068 39 HD21 LEU 5 HD21 LEU 5 -11.377 -0.519 4.233 40 HD22 LEU 5 HD22 LEU 5 -9.814 -0.074 4.919 41 HD23 LEU 5 HD23 LEU 5 -10.840 -1.245 5.748 42 H VAL 6 H VAL 6 -8.493 -0.998 -0.093 43 HA VAL 6 HA VAL 6 -5.824 -2.115 0.102 44 HB VAL 6 HB VAL 6 -7.418 -1.098 -2.281 45 HG11 VAL 6 HG11 VAL 6 -5.983 -2.435 -3.645 46 HG12 VAL 6 HG12 VAL 6 -5.265 -3.225 -2.241 47 HG13 VAL 6 HG13 VAL 6 -4.910 -1.530 -2.577 48 HG21 VAL 6 HG21 VAL 6 -8.666 -2.794 -1.019 49 HG22 VAL 6 HG22 VAL 6 -7.255 -3.851 -1.006 50 HG23 VAL 6 HG23 VAL 6 -8.075 -3.490 -2.526 51 H GLY 7 H GLY 7 -7.143 1.065 -0.672 52 HA2 GLY 7 HA2 GLY 7 -4.791 2.265 -1.755 53 HA3 GLY 7 HA3 GLY 7 -6.106 3.146 -0.979 54 H GLY 8 H GLY 8 -5.944 1.963 1.613 55 HA2 GLY 8 HA2 GLY 8 -3.918 3.558 2.837 56 HA3 GLY 8 HA3 GLY 8 -4.797 2.256 3.642 57 H VAL 9 H VAL 9 -4.034 0.042 2.182 58 HA VAL 9 HA VAL 9 -1.361 -0.482 3.186 59 HB VAL 9 HB VAL 9 -3.132 -2.014 1.244 60 HG11 VAL 9 HG11 VAL 9 -0.605 -2.668 2.730 61 HG12 VAL 9 HG12 VAL 9 -1.062 -3.075 1.076 62 HG13 VAL 9 HG13 VAL 9 -1.782 -3.946 2.429 63 HG21 VAL 9 HG21 VAL 9 -3.233 -1.560 4.151 64 HG22 VAL 9 HG22 VAL 9 -3.251 -3.266 3.706 65 HG23 VAL 9 HG23 VAL 9 -4.481 -2.176 3.068 66 H LEU 10 H LEU 10 -2.717 0.370 0.017 67 HA LEU 10 HA LEU 10 -0.528 -0.220 -1.679 68 HB2 LEU 10 HB2 LEU 10 -2.854 1.635 -1.612 69 HB3 LEU 10 HB3 LEU 10 -1.572 2.061 -2.744 70 HG LEU 10 HG LEU 10 -2.687 -0.741 -2.614 71 HD11 LEU 10 HD11 LEU 10 -4.580 0.760 -3.045 72 HD12 LEU 10 HD12 LEU 10 -4.149 -0.104 -4.521 73 HD13 LEU 10 HD13 LEU 10 -3.664 1.579 -4.310 74 HD21 LEU 10 HD21 LEU 10 -1.878 -0.679 -5.017 75 HD22 LEU 10 HD22 LEU 10 -0.602 -0.543 -3.808 76 HD23 LEU 10 HD23 LEU 10 -1.164 0.893 -4.663 77 H ALA 11 H ALA 11 -1.167 2.725 0.260 78 HA ALA 11 HA ALA 11 1.291 4.061 -0.556 79 HB1 ALA 11 HB1 ALA 11 -0.702 5.282 0.171 80 HB2 ALA 11 HB2 ALA 11 0.610 5.606 1.304 81 HB3 ALA 11 HB3 ALA 11 -0.664 4.465 1.734 82 H ALA 12 H ALA 12 0.277 2.106 2.254 83 HA ALA 12 HA ALA 12 2.614 2.457 3.866 84 HB1 ALA 12 HB1 ALA 12 1.783 0.458 4.992 85 HB2 ALA 12 HB2 ALA 12 0.840 0.008 3.572 86 HB3 ALA 12 HB3 ALA 12 0.398 1.437 4.507 87 H LEU 13 H LEU 13 1.822 0.009 1.374 88 HA LEU 13 HA LEU 13 4.406 -1.331 1.575 89 HB2 LEU 13 HB2 LEU 13 1.882 -1.841 0.506 90 HB3 LEU 13 HB3 LEU 13 2.898 -1.651 -0.921 91 HG LEU 13 HG LEU 13 2.862 -4.002 -0.174 92 HD11 LEU 13 HD11 LEU 13 5.264 -4.366 -0.116 93 HD12 LEU 13 HD12 LEU 13 5.541 -2.709 0.420 94 HD13 LEU 13 HD13 LEU 13 4.925 -3.020 -1.204 95 HD21 LEU 13 HD21 LEU 13 4.373 -3.247 2.306 96 HD22 LEU 13 HD22 LEU 13 3.406 -4.685 1.981 97 HD23 LEU 13 HD23 LEU 13 2.613 -3.148 2.322 98 H ALA 14 H ALA 14 3.077 1.324 -0.372 99 HA ALA 14 HA ALA 14 4.989 1.395 -2.478 100 HB1 ALA 14 HB1 ALA 14 4.406 3.893 -2.403 101 HB2 ALA 14 HB2 ALA 14 3.437 3.525 -0.977 102 HB3 ALA 14 HB3 ALA 14 3.035 2.792 -2.531 103 H ALA 15 H ALA 15 5.121 2.771 0.819 104 HA ALA 15 HA ALA 15 7.792 3.921 0.440 105 HB1 ALA 15 HB1 ALA 15 6.031 4.812 1.981 106 HB2 ALA 15 HB2 ALA 15 7.537 4.451 2.826 107 HB3 ALA 15 HB3 ALA 15 6.171 3.342 2.945 108 H TYR 16 H TYR 16 6.404 1.014 1.978 109 HA TYR 16 HA TYR 16 8.826 -0.013 3.133 110 HB2 TYR 16 HB2 TYR 16 6.358 -0.656 3.501 111 HB3 TYR 16 HB3 TYR 16 6.506 -1.621 2.032 112 HD1 TYR 16 HD2 TYR 16 7.660 -1.213 5.517 113 HD2 TYR 16 HD1 TYR 16 7.854 -3.640 1.977 114 HE1 TYR 16 HE2 TYR 16 8.717 -3.036 6.824 115 HE2 TYR 16 HE1 TYR 16 8.911 -5.462 3.285 116 HH TYR 16 HH TYR 16 8.769 -5.907 6.262 117 H CYS 17 H CYS 17 7.202 -0.741 0.018 118 HA CYS 17 HA CYS 17 9.145 -2.570 -1.005 119 HB2 CYS 17 HB2 CYS 17 6.788 -2.055 -1.822 120 HB3 CYS 17 HB3 CYS 17 7.446 -0.595 -2.561 121 HG CYS 17 HG CYS 17 9.116 -2.311 -3.888 122 H LEU 18 H LEU 18 9.010 0.977 -1.006 123 HA LEU 18 HA LEU 18 11.063 1.520 -2.919 124 HB2 LEU 18 HB2 LEU 18 9.330 2.974 -1.474 125 HB3 LEU 18 HB3 LEU 18 10.741 3.181 -0.445 126 HG LEU 18 HG LEU 18 10.537 4.984 -2.150 127 HD11 LEU 18 HD11 LEU 18 12.771 3.919 -1.268 128 HD12 LEU 18 HD12 LEU 18 12.822 5.064 -2.608 129 HD13 LEU 18 HD13 LEU 18 12.923 3.332 -2.925 130 HD21 LEU 18 HD21 LEU 18 10.656 4.550 -4.472 131 HD22 LEU 18 HD22 LEU 18 9.547 3.317 -3.872 132 HD23 LEU 18 HD23 LEU 18 11.225 2.899 -4.223 133 H SER 19 H SER 19 11.248 1.210 0.644 134 HA SER 19 HA SER 19 14.146 1.394 0.747 135 HB2 SER 19 HB2 SER 19 11.919 0.592 2.617 136 HB3 SER 19 HB3 SER 19 13.603 0.427 3.108 137 HG SER 19 HG SER 19 12.440 2.508 3.539 138 H THR 20 H THR 20 11.825 -1.308 0.591 139 HA THR 20 HA THR 20 13.753 -3.412 1.091 140 HB THR 20 HB THR 20 11.036 -3.290 -0.259 141 HG1 THR 20 HG1 THR 20 10.616 -3.082 1.799 142 HG21 THR 20 HG21 THR 20 11.207 -5.863 0.402 143 HG22 THR 20 HG22 THR 20 12.928 -5.566 0.155 144 HG23 THR 20 HG23 THR 20 11.787 -5.280 -1.158 145 H GLY 21 H GLY 21 12.710 -1.660 -1.805 146 HA2 GLY 21 HA2 GLY 21 13.949 -3.470 -3.702 147 HA3 GLY 21 HA3 GLY 21 13.388 -1.835 -4.049 148 H SER 22 H SER 22 14.972 -0.472 -2.069 149 HA SER 22 HA SER 22 17.510 -0.315 -3.516 150 HB2 SER 22 HB2 SER 22 15.971 1.456 -2.212 151 HB3 SER 22 HB3 SER 22 17.043 1.026 -0.883 152 HG SER 22 HG SER 22 18.802 1.564 -2.229 Start of MODEL 7 1 HA SER 1 HA SER 1 -16.020 1.969 -0.154 2 HB2 SER 1 HB2 SER 1 -18.477 0.964 -0.293 3 HB3 SER 1 HB3 SER 1 -17.616 -0.508 -0.732 4 HG SER 1 HG SER 1 -18.033 0.034 1.615 5 H THR 2 H THR 2 -15.127 -0.578 0.305 6 HA THR 2 HA THR 2 -13.419 -2.097 -0.270 7 HB THR 2 HB THR 2 -14.322 -1.699 -3.126 8 HG1 THR 2 HG1 THR 2 -16.124 -2.848 -2.700 9 HG21 THR 2 HG21 THR 2 -13.851 -4.322 -1.761 10 HG22 THR 2 HG22 THR 2 -12.459 -3.342 -2.219 11 HG23 THR 2 HG23 THR 2 -13.601 -3.880 -3.450 12 H TRP 3 H TRP 3 -12.941 0.924 -0.451 13 HA TRP 3 HA TRP 3 -10.616 0.881 -2.349 14 HB2 TRP 3 HB2 TRP 3 -12.628 2.480 -2.643 15 HB3 TRP 3 HB3 TRP 3 -12.012 3.315 -1.217 16 HD1 TRP 3 HD1 TRP 3 -9.365 4.141 -1.402 17 HE1 TRP 3 HE1 TRP 3 -8.127 5.110 -3.446 18 HE3 TRP 3 HE3 TRP 3 -12.446 2.532 -5.145 19 HZ2 TRP 3 HZ2 TRP 3 -8.408 5.193 -6.292 20 HZ3 TRP 3 HZ3 TRP 3 -11.938 3.070 -7.510 21 HH2 TRP 3 HH2 TRP 3 -9.925 4.397 -8.087 22 H VAL 4 H VAL 4 -11.712 2.027 0.862 23 HA VAL 4 HA VAL 4 -9.276 3.118 1.814 24 HB VAL 4 HB VAL 4 -11.536 1.644 3.213 25 HG11 VAL 4 HG11 VAL 4 -9.151 3.145 4.259 26 HG12 VAL 4 HG12 VAL 4 -9.897 1.672 4.876 27 HG13 VAL 4 HG13 VAL 4 -10.676 3.231 5.140 28 HG21 VAL 4 HG21 VAL 4 -12.530 3.519 2.268 29 HG22 VAL 4 HG22 VAL 4 -11.040 4.462 2.316 30 HG23 VAL 4 HG23 VAL 4 -11.967 4.201 3.793 31 H LEU 5 H LEU 5 -10.388 -0.269 1.758 32 HA LEU 5 HA LEU 5 -8.276 -1.381 3.367 33 HB2 LEU 5 HB2 LEU 5 -10.314 -2.326 1.385 34 HB3 LEU 5 HB3 LEU 5 -9.015 -3.436 1.818 35 HG LEU 5 HG LEU 5 -10.215 -2.059 4.129 36 HD11 LEU 5 HD11 LEU 5 -11.855 -3.993 2.462 37 HD12 LEU 5 HD12 LEU 5 -12.248 -2.306 2.793 38 HD13 LEU 5 HD13 LEU 5 -12.259 -3.487 4.102 39 HD21 LEU 5 HD21 LEU 5 -8.576 -4.000 4.130 40 HD22 LEU 5 HD22 LEU 5 -9.885 -5.011 3.518 41 HD23 LEU 5 HD23 LEU 5 -10.023 -4.253 5.105 42 H VAL 6 H VAL 6 -8.579 -0.804 -0.146 43 HA VAL 6 HA VAL 6 -5.754 -1.727 -0.523 44 HB VAL 6 HB VAL 6 -7.984 -1.149 -2.511 45 HG11 VAL 6 HG11 VAL 6 -6.385 -2.759 -3.869 46 HG12 VAL 6 HG12 VAL 6 -5.164 -2.150 -2.751 47 HG13 VAL 6 HG13 VAL 6 -6.044 -1.031 -3.793 48 HG21 VAL 6 HG21 VAL 6 -8.046 -3.670 -2.682 49 HG22 VAL 6 HG22 VAL 6 -8.608 -3.042 -1.132 50 HG23 VAL 6 HG23 VAL 6 -6.992 -3.734 -1.269 51 H GLY 7 H GLY 7 -6.735 0.976 0.579 52 HA2 GLY 7 HA2 GLY 7 -5.545 2.754 -1.509 53 HA3 GLY 7 HA3 GLY 7 -6.675 3.299 -0.266 54 H GLY 8 H GLY 8 -5.817 2.672 2.072 55 HA2 GLY 8 HA2 GLY 8 -3.426 4.165 2.540 56 HA3 GLY 8 HA3 GLY 8 -4.205 3.113 3.724 57 H VAL 9 H VAL 9 -4.013 0.639 2.443 58 HA VAL 9 HA VAL 9 -1.322 -0.173 3.041 59 HB VAL 9 HB VAL 9 -3.516 -1.501 1.403 60 HG11 VAL 9 HG11 VAL 9 -1.749 -2.903 0.954 61 HG12 VAL 9 HG12 VAL 9 -2.181 -3.544 2.539 62 HG13 VAL 9 HG13 VAL 9 -0.848 -2.399 2.385 63 HG21 VAL 9 HG21 VAL 9 -4.534 -1.305 3.460 64 HG22 VAL 9 HG22 VAL 9 -3.002 -1.164 4.322 65 HG23 VAL 9 HG23 VAL 9 -3.573 -2.746 3.791 66 H LEU 10 H LEU 10 -2.954 0.703 0.006 67 HA LEU 10 HA LEU 10 -1.018 -0.160 -1.884 68 HB2 LEU 10 HB2 LEU 10 -3.408 1.193 -1.878 69 HB3 LEU 10 HB3 LEU 10 -2.291 2.478 -2.329 70 HG LEU 10 HG LEU 10 -1.352 0.902 -4.084 71 HD11 LEU 10 HD11 LEU 10 -3.728 -0.697 -3.121 72 HD12 LEU 10 HD12 LEU 10 -2.066 -1.239 -3.357 73 HD13 LEU 10 HD13 LEU 10 -3.086 -0.892 -4.752 74 HD21 LEU 10 HD21 LEU 10 -3.231 1.300 -5.644 75 HD22 LEU 10 HD22 LEU 10 -2.935 2.716 -4.636 76 HD23 LEU 10 HD23 LEU 10 -4.290 1.645 -4.278 77 H ALA 11 H ALA 11 -1.297 2.991 -0.201 78 HA ALA 11 HA ALA 11 1.205 4.038 -1.248 79 HB1 ALA 11 HB1 ALA 11 0.752 5.826 0.398 80 HB2 ALA 11 HB2 ALA 11 -0.475 4.816 1.163 81 HB3 ALA 11 HB3 ALA 11 -0.720 5.409 -0.480 82 H ALA 12 H ALA 12 0.238 2.358 1.747 83 HA ALA 12 HA ALA 12 2.652 2.690 3.235 84 HB1 ALA 12 HB1 ALA 12 0.476 1.815 4.079 85 HB2 ALA 12 HB2 ALA 12 1.808 0.723 4.462 86 HB3 ALA 12 HB3 ALA 12 0.717 0.349 3.128 87 H LEU 13 H LEU 13 1.685 0.222 0.841 88 HA LEU 13 HA LEU 13 4.117 -1.344 1.046 89 HB2 LEU 13 HB2 LEU 13 1.620 -1.633 -0.052 90 HB3 LEU 13 HB3 LEU 13 2.591 -1.335 -1.493 91 HG LEU 13 HG LEU 13 3.459 -3.341 0.588 92 HD11 LEU 13 HD11 LEU 13 1.783 -3.936 -1.867 93 HD12 LEU 13 HD12 LEU 13 1.135 -3.868 -0.228 94 HD13 LEU 13 HD13 LEU 13 2.335 -5.089 -0.652 95 HD21 LEU 13 HD21 LEU 13 5.177 -2.761 -0.983 96 HD22 LEU 13 HD22 LEU 13 4.053 -2.835 -2.340 97 HD23 LEU 13 HD23 LEU 13 4.535 -4.315 -1.513 98 H ALA 14 H ALA 14 3.094 1.401 -0.991 99 HA ALA 14 HA ALA 14 5.184 1.333 -2.924 100 HB1 ALA 14 HB1 ALA 14 3.851 3.736 -1.626 101 HB2 ALA 14 HB2 ALA 14 3.134 2.779 -2.921 102 HB3 ALA 14 HB3 ALA 14 4.609 3.699 -3.218 103 H ALA 15 H ALA 15 5.077 2.801 0.330 104 HA ALA 15 HA ALA 15 7.808 3.846 0.179 105 HB1 ALA 15 HB1 ALA 15 5.953 4.818 1.546 106 HB2 ALA 15 HB2 ALA 15 7.358 4.410 2.533 107 HB3 ALA 15 HB3 ALA 15 5.944 3.355 2.531 108 H TYR 16 H TYR 16 6.197 1.018 1.663 109 HA TYR 16 HA TYR 16 8.473 -0.064 3.024 110 HB2 TYR 16 HB2 TYR 16 5.989 -0.661 3.202 111 HB3 TYR 16 HB3 TYR 16 6.199 -1.592 1.719 112 HD1 TYR 16 HD2 TYR 16 7.097 -1.337 5.287 113 HD2 TYR 16 HD1 TYR 16 7.516 -3.644 1.688 114 HE1 TYR 16 HE2 TYR 16 8.000 -3.232 6.607 115 HE2 TYR 16 HE1 TYR 16 8.419 -5.539 3.008 116 HH TYR 16 HH TYR 16 8.033 -6.127 5.878 117 H CYS 17 H CYS 17 7.092 -0.899 -0.187 118 HA CYS 17 HA CYS 17 9.076 -2.738 -1.038 119 HB2 CYS 17 HB2 CYS 17 6.845 -2.148 -2.091 120 HB3 CYS 17 HB3 CYS 17 7.605 -0.692 -2.730 121 HG CYS 17 HG CYS 17 9.216 -2.209 -4.136 122 H LEU 18 H LEU 18 9.072 0.817 -1.106 123 HA LEU 18 HA LEU 18 11.360 1.230 -2.774 124 HB2 LEU 18 HB2 LEU 18 9.495 2.770 -1.568 125 HB3 LEU 18 HB3 LEU 18 10.826 3.022 -0.445 126 HG LEU 18 HG LEU 18 10.826 4.733 -2.227 127 HD11 LEU 18 HD11 LEU 18 13.152 2.906 -2.792 128 HD12 LEU 18 HD12 LEU 18 12.968 3.655 -1.206 129 HD13 LEU 18 HD13 LEU 18 13.135 4.663 -2.643 130 HD21 LEU 18 HD21 LEU 18 11.520 2.565 -4.203 131 HD22 LEU 18 HD22 LEU 18 10.973 4.212 -4.516 132 HD23 LEU 18 HD23 LEU 18 9.837 3.004 -3.916 133 H SER 19 H SER 19 11.113 1.103 0.802 134 HA SER 19 HA SER 19 13.945 1.275 1.294 135 HB2 SER 19 HB2 SER 19 11.495 0.422 2.818 136 HB3 SER 19 HB3 SER 19 13.090 0.221 3.539 137 HG SER 19 HG SER 19 13.430 2.422 3.323 138 H THR 20 H THR 20 11.784 -1.466 0.648 139 HA THR 20 HA THR 20 13.526 -3.577 1.521 140 HB THR 20 HB THR 20 11.503 -3.571 -0.747 141 HG1 THR 20 HG1 THR 20 11.224 -3.660 2.058 142 HG21 THR 20 HG21 THR 20 12.755 -5.623 -0.698 143 HG22 THR 20 HG22 THR 20 11.189 -5.952 0.043 144 HG23 THR 20 HG23 THR 20 12.615 -5.732 1.057 145 H GLY 21 H GLY 21 13.244 -1.824 -1.569 146 HA2 GLY 21 HA2 GLY 21 15.262 -3.497 -2.880 147 HA3 GLY 21 HA3 GLY 21 14.505 -2.056 -3.561 148 H SER 22 H SER 22 15.126 -0.265 -1.388 149 HA SER 22 HA SER 22 18.122 -0.151 -1.590 150 HB2 SER 22 HB2 SER 22 16.063 2.076 -1.729 151 HB3 SER 22 HB3 SER 22 17.808 2.302 -1.807 152 HG SER 22 HG SER 22 16.071 1.042 -3.645 Start of MODEL 8 1 HA SER 1 HA SER 1 -15.832 1.985 3.622 2 HB2 SER 1 HB2 SER 1 -13.201 3.346 4.291 3 HB3 SER 1 HB3 SER 1 -14.055 3.497 2.757 4 HG SER 1 HG SER 1 -15.045 5.076 3.736 5 H THR 2 H THR 2 -14.821 1.075 1.677 6 HA THR 2 HA THR 2 -12.949 -1.163 2.315 7 HB THR 2 HB THR 2 -14.627 -0.747 -0.169 8 HG1 THR 2 HG1 THR 2 -16.276 -1.746 0.866 9 HG21 THR 2 HG21 THR 2 -12.975 -2.488 -0.398 10 HG22 THR 2 HG22 THR 2 -14.535 -3.271 -0.147 11 HG23 THR 2 HG23 THR 2 -13.382 -3.154 1.184 12 H TRP 3 H TRP 3 -13.494 1.437 -0.061 13 HA TRP 3 HA TRP 3 -11.188 1.009 -1.685 14 HB2 TRP 3 HB2 TRP 3 -13.256 2.527 -1.992 15 HB3 TRP 3 HB3 TRP 3 -12.393 3.700 -0.997 16 HD1 TRP 3 HD1 TRP 3 -12.513 2.229 -4.455 17 HE1 TRP 3 HE1 TRP 3 -10.753 3.378 -5.947 18 HE3 TRP 3 HE3 TRP 3 -9.929 4.855 -0.915 19 HZ2 TRP 3 HZ2 TRP 3 -8.542 5.172 -5.676 20 HZ3 TRP 3 HZ3 TRP 3 -8.004 6.273 -1.560 21 HH2 TRP 3 HH2 TRP 3 -7.307 6.436 -3.934 22 H VAL 4 H VAL 4 -11.622 3.041 1.230 23 HA VAL 4 HA VAL 4 -9.022 4.214 1.302 24 HB VAL 4 HB VAL 4 -10.986 3.442 3.489 25 HG11 VAL 4 HG11 VAL 4 -8.999 3.825 4.682 26 HG12 VAL 4 HG12 VAL 4 -9.743 5.424 4.656 27 HG13 VAL 4 HG13 VAL 4 -8.434 5.041 3.537 28 HG21 VAL 4 HG21 VAL 4 -11.918 4.999 1.855 29 HG22 VAL 4 HG22 VAL 4 -10.482 6.018 1.961 30 HG23 VAL 4 HG23 VAL 4 -11.567 5.876 3.344 31 H LEU 5 H LEU 5 -10.214 1.090 2.532 32 HA LEU 5 HA LEU 5 -7.829 0.346 3.976 33 HB2 LEU 5 HB2 LEU 5 -10.368 -0.840 3.043 34 HB3 LEU 5 HB3 LEU 5 -9.046 -1.999 3.164 35 HG LEU 5 HG LEU 5 -10.323 -1.838 5.283 36 HD11 LEU 5 HD11 LEU 5 -7.798 -2.266 5.171 37 HD12 LEU 5 HD12 LEU 5 -8.431 -1.724 6.725 38 HD13 LEU 5 HD13 LEU 5 -7.598 -0.586 5.667 39 HD21 LEU 5 HD21 LEU 5 -10.249 0.223 6.602 40 HD22 LEU 5 HD22 LEU 5 -10.975 0.555 5.029 41 HD23 LEU 5 HD23 LEU 5 -9.304 1.022 5.345 42 H VAL 6 H VAL 6 -8.958 -0.311 0.644 43 HA VAL 6 HA VAL 6 -6.695 -1.929 -0.131 44 HB VAL 6 HB VAL 6 -8.693 -0.264 -1.702 45 HG11 VAL 6 HG11 VAL 6 -6.659 -2.328 -2.569 46 HG12 VAL 6 HG12 VAL 6 -6.874 -0.689 -3.184 47 HG13 VAL 6 HG13 VAL 6 -8.072 -1.931 -3.546 48 HG21 VAL 6 HG21 VAL 6 -9.653 -2.073 -0.273 49 HG22 VAL 6 HG22 VAL 6 -8.612 -3.238 -1.090 50 HG23 VAL 6 HG23 VAL 6 -9.870 -2.395 -1.993 51 H GLY 7 H GLY 7 -7.460 1.526 -0.514 52 HA2 GLY 7 HA2 GLY 7 -5.069 2.218 -1.954 53 HA3 GLY 7 HA3 GLY 7 -6.099 3.356 -1.080 54 H GLY 8 H GLY 8 -5.886 2.155 1.515 55 HA2 GLY 8 HA2 GLY 8 -3.513 3.375 2.508 56 HA3 GLY 8 HA3 GLY 8 -4.503 2.226 3.407 57 H VAL 9 H VAL 9 -4.247 -0.075 1.871 58 HA VAL 9 HA VAL 9 -1.684 -1.101 2.677 59 HB VAL 9 HB VAL 9 -3.803 -2.073 0.725 60 HG11 VAL 9 HG11 VAL 9 -1.270 -3.343 1.739 61 HG12 VAL 9 HG12 VAL 9 -1.939 -3.352 0.107 62 HG13 VAL 9 HG13 VAL 9 -2.668 -4.349 1.365 63 HG21 VAL 9 HG21 VAL 9 -3.853 -1.802 3.501 64 HG22 VAL 9 HG22 VAL 9 -3.443 -3.500 3.253 65 HG23 VAL 9 HG23 VAL 9 -4.914 -2.836 2.544 66 H LEU 10 H LEU 10 -2.933 0.037 -0.473 67 HA LEU 10 HA LEU 10 -0.715 -0.655 -2.115 68 HB2 LEU 10 HB2 LEU 10 -3.111 0.937 -2.205 69 HB3 LEU 10 HB3 LEU 10 -1.792 1.870 -2.909 70 HG LEU 10 HG LEU 10 -1.464 -0.742 -3.906 71 HD11 LEU 10 HD11 LEU 10 -3.703 -1.373 -3.290 72 HD12 LEU 10 HD12 LEU 10 -3.722 -1.044 -5.022 73 HD13 LEU 10 HD13 LEU 10 -4.360 0.149 -3.891 74 HD21 LEU 10 HD21 LEU 10 -2.769 1.659 -5.230 75 HD22 LEU 10 HD22 LEU 10 -1.960 0.324 -6.050 76 HD23 LEU 10 HD23 LEU 10 -1.028 1.437 -5.049 77 H ALA 11 H ALA 11 -1.303 2.237 -0.105 78 HA ALA 11 HA ALA 11 1.124 3.629 -0.848 79 HB1 ALA 11 HB1 ALA 11 -1.048 4.498 0.226 80 HB2 ALA 11 HB2 ALA 11 0.457 5.127 0.897 81 HB3 ALA 11 HB3 ALA 11 -0.424 3.857 1.745 82 H ALA 12 H ALA 12 0.279 1.346 1.761 83 HA ALA 12 HA ALA 12 2.663 1.568 3.321 84 HB1 ALA 12 HB1 ALA 12 1.907 -0.505 4.272 85 HB2 ALA 12 HB2 ALA 12 1.056 -0.949 2.792 86 HB3 ALA 12 HB3 ALA 12 0.449 0.366 3.799 87 H LEU 13 H LEU 13 1.892 -0.411 0.457 88 HA LEU 13 HA LEU 13 4.421 -1.845 0.412 89 HB2 LEU 13 HB2 LEU 13 1.969 -2.137 -0.725 90 HB3 LEU 13 HB3 LEU 13 2.844 -1.417 -2.077 91 HG LEU 13 HG LEU 13 4.105 -3.682 -0.559 92 HD11 LEU 13 HD11 LEU 13 2.121 -4.029 -2.827 93 HD12 LEU 13 HD12 LEU 13 1.760 -4.367 -1.134 94 HD13 LEU 13 HD13 LEU 13 2.990 -5.308 -1.979 95 HD21 LEU 13 HD21 LEU 13 4.810 -4.113 -3.046 96 HD22 LEU 13 HD22 LEU 13 5.561 -2.783 -2.167 97 HD23 LEU 13 HD23 LEU 13 4.256 -2.459 -3.309 98 H ALA 14 H ALA 14 3.191 1.134 -1.122 99 HA ALA 14 HA ALA 14 5.315 1.590 -2.969 100 HB1 ALA 14 HB1 ALA 14 3.702 3.582 -1.333 101 HB2 ALA 14 HB2 ALA 14 3.139 2.811 -2.817 102 HB3 ALA 14 HB3 ALA 14 4.514 3.914 -2.863 103 H ALA 15 H ALA 15 5.030 2.344 0.499 104 HA ALA 15 HA ALA 15 7.619 3.726 0.617 105 HB1 ALA 15 HB1 ALA 15 5.511 2.792 2.574 106 HB2 ALA 15 HB2 ALA 15 5.951 4.445 2.148 107 HB3 ALA 15 HB3 ALA 15 7.037 3.471 3.139 108 H TYR 16 H TYR 16 6.341 0.487 1.381 109 HA TYR 16 HA TYR 16 8.757 -0.499 2.646 110 HB2 TYR 16 HB2 TYR 16 6.355 -1.362 2.819 111 HB3 TYR 16 HB3 TYR 16 6.592 -2.072 1.221 112 HD1 TYR 16 HD1 TYR 16 8.004 -1.991 4.677 113 HD2 TYR 16 HD2 TYR 16 7.724 -4.132 0.963 114 HE1 TYR 16 HE1 TYR 16 9.164 -3.926 5.704 115 HE2 TYR 16 HE2 TYR 16 8.884 -6.067 1.992 116 HH TYR 16 HH TYR 16 10.691 -6.063 4.381 117 H CYS 17 H CYS 17 7.376 -0.876 -0.647 118 HA CYS 17 HA CYS 17 9.438 -2.482 -1.772 119 HB2 CYS 17 HB2 CYS 17 7.177 -1.875 -2.727 120 HB3 CYS 17 HB3 CYS 17 7.831 -0.285 -3.117 121 HG CYS 17 HG CYS 17 9.580 -1.495 -4.701 122 H LEU 18 H LEU 18 9.263 1.031 -1.262 123 HA LEU 18 HA LEU 18 11.676 1.626 -2.803 124 HB2 LEU 18 HB2 LEU 18 9.531 3.039 -2.036 125 HB3 LEU 18 HB3 LEU 18 10.583 3.431 -0.679 126 HG LEU 18 HG LEU 18 12.372 3.992 -2.446 127 HD11 LEU 18 HD11 LEU 18 11.535 3.077 -4.444 128 HD12 LEU 18 HD12 LEU 18 11.168 4.793 -4.616 129 HD13 LEU 18 HD13 LEU 18 9.900 3.664 -4.139 130 HD21 LEU 18 HD21 LEU 18 11.362 6.251 -2.845 131 HD22 LEU 18 HD22 LEU 18 11.242 5.733 -1.164 132 HD23 LEU 18 HD23 LEU 18 9.831 5.640 -2.218 133 H SER 19 H SER 19 10.874 1.549 0.692 134 HA SER 19 HA SER 19 13.548 2.063 1.632 135 HB2 SER 19 HB2 SER 19 11.228 2.187 2.801 136 HB3 SER 19 HB3 SER 19 11.434 0.460 3.082 137 HG SER 19 HG SER 19 12.249 2.050 4.725 138 H THR 20 H THR 20 11.704 -1.010 1.371 139 HA THR 20 HA THR 20 13.930 -2.699 2.132 140 HB THR 20 HB THR 20 11.454 -3.380 0.508 141 HG1 THR 20 HG1 THR 20 10.474 -2.663 2.222 142 HG21 THR 20 HG21 THR 20 13.131 -5.176 0.686 143 HG22 THR 20 HG22 THR 20 11.690 -5.569 1.624 144 HG23 THR 20 HG23 THR 20 13.144 -4.995 2.441 145 H GLY 21 H GLY 21 12.793 -1.380 -0.948 146 HA2 GLY 21 HA2 GLY 21 14.206 -3.153 -2.697 147 HA3 GLY 21 HA3 GLY 21 13.677 -1.524 -3.114 148 H SER 22 H SER 22 15.164 -0.126 -1.085 149 HA SER 22 HA SER 22 17.793 -0.064 -2.386 150 HB2 SER 22 HB2 SER 22 16.268 1.498 -0.330 151 HB3 SER 22 HB3 SER 22 18.011 1.721 -0.425 152 HG SER 22 HG SER 22 17.795 2.342 -2.550 Start of MODEL 9 1 HA SER 1 HA SER 1 -15.753 0.948 2.828 2 HB2 SER 1 HB2 SER 1 -17.743 -0.265 4.076 3 HB3 SER 1 HB3 SER 1 -17.261 -1.643 3.090 4 HG SER 1 HG SER 1 -16.187 -0.906 5.324 5 H THR 2 H THR 2 -14.716 -1.641 2.509 6 HA THR 2 HA THR 2 -13.558 -2.961 0.931 7 HB THR 2 HB THR 2 -15.951 -2.447 -0.845 8 HG1 THR 2 HG1 THR 2 -17.113 -3.838 0.395 9 HG21 THR 2 HG21 THR 2 -15.575 -4.998 -1.143 10 HG22 THR 2 HG22 THR 2 -14.005 -4.703 -0.397 11 HG23 THR 2 HG23 THR 2 -14.429 -3.897 -1.906 12 H TRP 3 H TRP 3 -12.928 -0.157 0.911 13 HA TRP 3 HA TRP 3 -11.964 0.117 -1.888 14 HB2 TRP 3 HB2 TRP 3 -14.248 1.423 -0.883 15 HB3 TRP 3 HB3 TRP 3 -12.978 2.647 -0.871 16 HD1 TRP 3 HD1 TRP 3 -15.330 0.898 -3.135 17 HE1 TRP 3 HE1 TRP 3 -14.835 1.509 -5.588 18 HE3 TRP 3 HE3 TRP 3 -10.805 3.199 -2.573 19 HZ2 TRP 3 HZ2 TRP 3 -12.789 2.805 -7.113 20 HZ3 TRP 3 HZ3 TRP 3 -9.606 4.111 -4.541 21 HH2 TRP 3 HH2 TRP 3 -10.592 3.917 -6.808 22 H VAL 4 H VAL 4 -12.123 2.004 1.173 23 HA VAL 4 HA VAL 4 -9.578 3.266 0.888 24 HB VAL 4 HB VAL 4 -11.490 3.894 2.400 25 HG11 VAL 4 HG11 VAL 4 -11.774 2.761 4.519 26 HG12 VAL 4 HG12 VAL 4 -10.402 1.704 4.191 27 HG13 VAL 4 HG13 VAL 4 -11.878 1.551 3.240 28 HG21 VAL 4 HG21 VAL 4 -8.772 3.518 3.694 29 HG22 VAL 4 HG22 VAL 4 -10.035 4.588 4.304 30 HG23 VAL 4 HG23 VAL 4 -9.292 4.905 2.736 31 H LEU 5 H LEU 5 -10.449 0.077 2.156 32 HA LEU 5 HA LEU 5 -8.066 -0.538 3.602 33 HB2 LEU 5 HB2 LEU 5 -10.348 -1.756 3.383 34 HB3 LEU 5 HB3 LEU 5 -9.657 -2.502 1.942 35 HG LEU 5 HG LEU 5 -7.932 -2.550 4.354 36 HD11 LEU 5 HD11 LEU 5 -10.245 -2.998 5.248 37 HD12 LEU 5 HD12 LEU 5 -9.134 -4.356 5.426 38 HD13 LEU 5 HD13 LEU 5 -10.347 -4.371 4.146 39 HD21 LEU 5 HD21 LEU 5 -7.354 -4.722 3.485 40 HD22 LEU 5 HD22 LEU 5 -7.453 -3.627 2.106 41 HD23 LEU 5 HD23 LEU 5 -8.775 -4.746 2.441 42 H VAL 6 H VAL 6 -8.833 -0.803 0.129 43 HA VAL 6 HA VAL 6 -6.175 -1.968 -0.470 44 HB VAL 6 HB VAL 6 -8.463 -1.105 -2.280 45 HG11 VAL 6 HG11 VAL 6 -6.543 -1.411 -3.635 46 HG12 VAL 6 HG12 VAL 6 -7.384 -2.959 -3.724 47 HG13 VAL 6 HG13 VAL 6 -5.979 -2.777 -2.673 48 HG21 VAL 6 HG21 VAL 6 -8.832 -3.687 -2.257 49 HG22 VAL 6 HG22 VAL 6 -9.421 -2.748 -0.886 50 HG23 VAL 6 HG23 VAL 6 -7.910 -3.648 -0.754 51 H GLY 7 H GLY 7 -6.912 1.030 0.403 52 HA2 GLY 7 HA2 GLY 7 -5.366 2.361 -1.781 53 HA3 GLY 7 HA3 GLY 7 -6.509 3.198 -0.729 54 H GLY 8 H GLY 8 -5.820 2.335 1.777 55 HA2 GLY 8 HA2 GLY 8 -3.497 3.876 2.404 56 HA3 GLY 8 HA3 GLY 8 -4.290 2.751 3.508 57 H VAL 9 H VAL 9 -3.966 0.326 2.235 58 HA VAL 9 HA VAL 9 -1.273 -0.417 2.863 59 HB VAL 9 HB VAL 9 -3.469 -1.709 1.204 60 HG11 VAL 9 HG11 VAL 9 -1.590 -2.885 0.461 61 HG12 VAL 9 HG12 VAL 9 -2.063 -3.830 1.874 62 HG13 VAL 9 HG13 VAL 9 -0.731 -2.680 1.989 63 HG21 VAL 9 HG21 VAL 9 -4.139 -2.755 3.173 64 HG22 VAL 9 HG22 VAL 9 -3.586 -1.205 3.807 65 HG23 VAL 9 HG23 VAL 9 -2.541 -2.623 3.909 66 H LEU 10 H LEU 10 -2.831 0.522 -0.187 67 HA LEU 10 HA LEU 10 -0.808 -0.218 -2.038 68 HB2 LEU 10 HB2 LEU 10 -3.226 1.288 -1.935 69 HB3 LEU 10 HB3 LEU 10 -2.022 2.319 -2.703 70 HG LEU 10 HG LEU 10 -3.208 0.943 -4.372 71 HD11 LEU 10 HD11 LEU 10 -1.279 0.155 -5.547 72 HD12 LEU 10 HD12 LEU 10 -0.387 -0.101 -4.047 73 HD13 LEU 10 HD13 LEU 10 -0.743 1.538 -4.594 74 HD21 LEU 10 HD21 LEU 10 -2.510 -1.189 -2.437 75 HD22 LEU 10 HD22 LEU 10 -2.301 -1.616 -4.134 76 HD23 LEU 10 HD23 LEU 10 -3.874 -1.079 -3.548 77 H ALA 11 H ALA 11 -1.177 2.770 -0.104 78 HA ALA 11 HA ALA 11 1.311 3.942 -1.131 79 HB1 ALA 11 HB1 ALA 11 -0.489 4.661 1.211 80 HB2 ALA 11 HB2 ALA 11 -0.677 5.263 -0.437 81 HB3 ALA 11 HB3 ALA 11 0.746 5.706 0.507 82 H ALA 12 H ALA 12 0.249 2.182 1.773 83 HA ALA 12 HA ALA 12 2.563 2.556 3.402 84 HB1 ALA 12 HB1 ALA 12 1.712 0.546 4.543 85 HB2 ALA 12 HB2 ALA 12 0.719 0.155 3.139 86 HB3 ALA 12 HB3 ALA 12 0.367 1.595 4.095 87 H LEU 13 H LEU 13 1.817 0.090 0.914 88 HA LEU 13 HA LEU 13 4.333 -1.338 1.248 89 HB2 LEU 13 HB2 LEU 13 1.876 -1.764 0.034 90 HB3 LEU 13 HB3 LEU 13 2.952 -1.539 -1.344 91 HG LEU 13 HG LEU 13 2.849 -3.915 -0.693 92 HD11 LEU 13 HD11 LEU 13 4.982 -2.886 -1.570 93 HD12 LEU 13 HD12 LEU 13 5.223 -4.333 -0.592 94 HD13 LEU 13 HD13 LEU 13 5.527 -2.740 0.101 95 HD21 LEU 13 HD21 LEU 13 3.213 -4.687 1.453 96 HD22 LEU 13 HD22 LEU 13 2.542 -3.103 1.839 97 HD23 LEU 13 HD23 LEU 13 4.288 -3.351 1.866 98 H ALA 14 H ALA 14 3.244 1.389 -0.747 99 HA ALA 14 HA ALA 14 5.310 1.411 -2.708 100 HB1 ALA 14 HB1 ALA 14 3.251 2.839 -2.637 101 HB2 ALA 14 HB2 ALA 14 4.713 3.787 -2.900 102 HB3 ALA 14 HB3 ALA 14 3.963 3.750 -1.306 103 H ALA 15 H ALA 15 5.220 2.809 0.584 104 HA ALA 15 HA ALA 15 7.964 3.830 0.441 105 HB1 ALA 15 HB1 ALA 15 6.104 4.794 1.825 106 HB2 ALA 15 HB2 ALA 15 7.526 4.390 2.788 107 HB3 ALA 15 HB3 ALA 15 6.119 3.327 2.805 108 H TYR 16 H TYR 16 6.318 0.993 1.872 109 HA TYR 16 HA TYR 16 8.563 -0.145 3.230 110 HB2 TYR 16 HB2 TYR 16 6.072 -0.743 3.323 111 HB3 TYR 16 HB3 TYR 16 6.323 -1.627 1.818 112 HD1 TYR 16 HD2 TYR 16 7.218 -1.445 5.404 113 HD2 TYR 16 HD1 TYR 16 7.544 -3.713 1.769 114 HE1 TYR 16 HE2 TYR 16 8.085 -3.381 6.689 115 HE2 TYR 16 HE1 TYR 16 8.411 -5.648 3.055 116 HH TYR 16 HH TYR 16 9.744 -5.693 5.631 117 H CYS 17 H CYS 17 7.286 -0.736 -0.064 118 HA CYS 17 HA CYS 17 9.359 -2.547 -0.906 119 HB2 CYS 17 HB2 CYS 17 7.041 -2.084 -1.898 120 HB3 CYS 17 HB3 CYS 17 7.745 -0.639 -2.622 121 HG CYS 17 HG CYS 17 8.176 -3.489 -3.598 122 H LEU 18 H LEU 18 9.071 0.991 -0.927 123 HA LEU 18 HA LEU 18 11.206 1.666 -2.681 124 HB2 LEU 18 HB2 LEU 18 9.445 2.901 -0.787 125 HB3 LEU 18 HB3 LEU 18 11.075 3.484 -0.466 126 HG LEU 18 HG LEU 18 9.891 3.417 -3.249 127 HD11 LEU 18 HD11 LEU 18 9.567 5.901 -2.885 128 HD12 LEU 18 HD12 LEU 18 9.845 5.618 -1.166 129 HD13 LEU 18 HD13 LEU 18 8.461 4.875 -1.970 130 HD21 LEU 18 HD21 LEU 18 12.414 3.558 -2.848 131 HD22 LEU 18 HD22 LEU 18 12.115 5.129 -2.107 132 HD23 LEU 18 HD23 LEU 18 11.719 4.865 -3.805 133 H SER 19 H SER 19 11.239 0.999 0.834 134 HA SER 19 HA SER 19 14.157 1.347 1.013 135 HB2 SER 19 HB2 SER 19 11.838 0.793 2.807 136 HB3 SER 19 HB3 SER 19 13.418 0.249 3.364 137 HG SER 19 HG SER 19 13.765 2.254 3.867 138 H THR 20 H THR 20 11.834 -1.324 0.761 139 HA THR 20 HA THR 20 13.656 -3.466 1.415 140 HB THR 20 HB THR 20 11.123 -3.320 -0.259 141 HG1 THR 20 HG1 THR 20 10.507 -2.901 1.740 142 HG21 THR 20 HG21 THR 20 12.919 -5.572 0.463 143 HG22 THR 20 HG22 THR 20 11.825 -5.397 -0.909 144 HG23 THR 20 HG23 THR 20 11.191 -5.858 0.670 145 H GLY 21 H GLY 21 12.822 -1.809 -1.628 146 HA2 GLY 21 HA2 GLY 21 14.306 -3.618 -3.334 147 HA3 GLY 21 HA3 GLY 21 13.726 -2.015 -3.789 148 H SER 22 H SER 22 15.063 -0.506 -1.765 149 HA SER 22 HA SER 22 17.703 -0.264 -2.963 150 HB2 SER 22 HB2 SER 22 16.120 1.037 -0.764 151 HB3 SER 22 HB3 SER 22 17.843 1.383 -0.898 152 HG SER 22 HG SER 22 15.931 2.501 -2.248 Start of MODEL 10 1 HA SER 1 HA SER 1 -14.264 1.914 4.176 2 HB2 SER 1 HB2 SER 1 -12.985 -0.274 5.612 3 HB3 SER 1 HB3 SER 1 -12.081 0.143 4.159 4 HG SER 1 HG SER 1 -11.607 1.383 6.137 5 H THR 2 H THR 2 -14.243 2.168 1.980 6 HA THR 2 HA THR 2 -13.938 -0.271 0.251 7 HB THR 2 HB THR 2 -15.674 2.143 -0.341 8 HG1 THR 2 HG1 THR 2 -16.461 -0.338 0.794 9 HG21 THR 2 HG21 THR 2 -15.289 -0.596 -1.520 10 HG22 THR 2 HG22 THR 2 -15.353 0.966 -2.336 11 HG23 THR 2 HG23 THR 2 -16.833 0.237 -1.713 12 H TRP 3 H TRP 3 -11.881 1.666 1.119 13 HA TRP 3 HA TRP 3 -10.796 2.362 -1.517 14 HB2 TRP 3 HB2 TRP 3 -12.507 4.169 -0.685 15 HB3 TRP 3 HB3 TRP 3 -11.211 4.641 0.415 16 HD1 TRP 3 HD1 TRP 3 -12.293 4.834 -3.175 17 HE1 TRP 3 HE1 TRP 3 -10.553 6.162 -4.537 18 HE3 TRP 3 HE3 TRP 3 -8.536 5.160 0.270 19 HZ2 TRP 3 HZ2 TRP 3 -7.916 7.222 -4.208 20 HZ3 TRP 3 HZ3 TRP 3 -6.424 6.333 -0.280 21 HH2 TRP 3 HH2 TRP 3 -6.109 7.363 -2.513 22 H VAL 4 H VAL 4 -10.489 3.132 1.982 23 HA VAL 4 HA VAL 4 -7.643 3.493 1.983 24 HB VAL 4 HB VAL 4 -9.603 2.638 4.143 25 HG11 VAL 4 HG11 VAL 4 -7.870 3.592 5.695 26 HG12 VAL 4 HG12 VAL 4 -6.765 3.692 4.324 27 HG13 VAL 4 HG13 VAL 4 -7.347 2.121 4.875 28 HG21 VAL 4 HG21 VAL 4 -8.650 5.286 3.061 29 HG22 VAL 4 HG22 VAL 4 -9.213 5.154 4.727 30 HG23 VAL 4 HG23 VAL 4 -10.299 4.758 3.397 31 H LEU 5 H LEU 5 -9.654 0.589 2.246 32 HA LEU 5 HA LEU 5 -7.676 -1.226 3.252 33 HB2 LEU 5 HB2 LEU 5 -10.293 -1.351 2.862 34 HB3 LEU 5 HB3 LEU 5 -9.820 -2.038 1.309 35 HG LEU 5 HG LEU 5 -8.705 -3.068 3.925 36 HD11 LEU 5 HD11 LEU 5 -11.043 -3.429 4.171 37 HD12 LEU 5 HD12 LEU 5 -10.413 -4.950 3.537 38 HD13 LEU 5 HD13 LEU 5 -11.241 -3.822 2.463 39 HD21 LEU 5 HD21 LEU 5 -7.380 -3.943 2.234 40 HD22 LEU 5 HD22 LEU 5 -8.681 -3.892 1.044 41 HD23 LEU 5 HD23 LEU 5 -8.658 -5.156 2.273 42 H VAL 6 H VAL 6 -8.493 -0.219 -0.080 43 HA VAL 6 HA VAL 6 -6.238 -1.911 -1.092 44 HB VAL 6 HB VAL 6 -8.572 -0.610 -2.541 45 HG11 VAL 6 HG11 VAL 6 -7.928 -2.338 -4.297 46 HG12 VAL 6 HG12 VAL 6 -6.440 -2.589 -3.386 47 HG13 VAL 6 HG13 VAL 6 -6.786 -1.010 -4.093 48 HG21 VAL 6 HG21 VAL 6 -8.156 -3.418 -1.471 49 HG22 VAL 6 HG22 VAL 6 -9.400 -3.007 -2.652 50 HG23 VAL 6 HG23 VAL 6 -9.442 -2.290 -1.042 51 H GLY 7 H GLY 7 -6.901 1.292 -0.277 52 HA2 GLY 7 HA2 GLY 7 -4.993 2.341 -2.327 53 HA3 GLY 7 HA3 GLY 7 -6.207 3.329 -1.508 54 H GLY 8 H GLY 8 -5.956 2.893 1.087 55 HA2 GLY 8 HA2 GLY 8 -3.531 4.192 1.862 56 HA3 GLY 8 HA3 GLY 8 -4.649 3.394 2.972 57 H VAL 9 H VAL 9 -4.552 0.769 2.144 58 HA VAL 9 HA VAL 9 -2.131 -0.230 3.308 59 HB VAL 9 HB VAL 9 -4.208 -1.502 1.480 60 HG11 VAL 9 HG11 VAL 9 -3.368 -3.596 2.830 61 HG12 VAL 9 HG12 VAL 9 -1.903 -2.637 3.044 62 HG13 VAL 9 HG13 VAL 9 -2.456 -3.051 1.421 63 HG21 VAL 9 HG21 VAL 9 -5.113 -2.366 3.648 64 HG22 VAL 9 HG22 VAL 9 -5.171 -0.607 3.542 65 HG23 VAL 9 HG23 VAL 9 -3.917 -1.391 4.502 66 H LEU 10 H LEU 10 -3.123 0.259 -0.080 67 HA LEU 10 HA LEU 10 -0.873 -0.978 -1.351 68 HB2 LEU 10 HB2 LEU 10 -3.172 0.641 -2.000 69 HB3 LEU 10 HB3 LEU 10 -1.769 1.279 -2.850 70 HG LEU 10 HG LEU 10 -2.947 -0.459 -4.175 71 HD11 LEU 10 HD11 LEU 10 -0.209 -1.304 -3.172 72 HD12 LEU 10 HD12 LEU 10 -0.519 -0.145 -4.466 73 HD13 LEU 10 HD13 LEU 10 -0.960 -1.839 -4.676 74 HD21 LEU 10 HD21 LEU 10 -3.191 -2.683 -3.427 75 HD22 LEU 10 HD22 LEU 10 -3.594 -1.728 -2.000 76 HD23 LEU 10 HD23 LEU 10 -2.003 -2.477 -2.140 77 H ALA 11 H ALA 11 -1.420 2.352 -0.183 78 HA ALA 11 HA ALA 11 1.086 3.449 -1.102 79 HB1 ALA 11 HB1 ALA 11 -0.570 4.295 1.294 80 HB2 ALA 11 HB2 ALA 11 -1.058 4.633 -0.366 81 HB3 ALA 11 HB3 ALA 11 0.437 5.319 0.269 82 H ALA 12 H ALA 12 0.084 1.792 1.888 83 HA ALA 12 HA ALA 12 2.374 2.319 3.502 84 HB1 ALA 12 HB1 ALA 12 1.556 0.467 4.794 85 HB2 ALA 12 HB2 ALA 12 0.798 -0.268 3.382 86 HB3 ALA 12 HB3 ALA 12 0.130 1.213 4.070 87 H LEU 13 H LEU 13 1.764 -0.224 1.067 88 HA LEU 13 HA LEU 13 4.347 -1.530 1.454 89 HB2 LEU 13 HB2 LEU 13 1.903 -2.118 0.274 90 HB3 LEU 13 HB3 LEU 13 2.963 -1.897 -1.117 91 HG LEU 13 HG LEU 13 2.992 -4.243 -0.400 92 HD11 LEU 13 HD11 LEU 13 5.577 -2.864 0.382 93 HD12 LEU 13 HD12 LEU 13 5.082 -3.185 -1.279 94 HD13 LEU 13 HD13 LEU 13 5.398 -4.527 -0.179 95 HD21 LEU 13 HD21 LEU 13 3.704 -4.907 1.804 96 HD22 LEU 13 HD22 LEU 13 2.437 -3.699 2.015 97 HD23 LEU 13 HD23 LEU 13 4.129 -3.249 2.229 98 H ALA 14 H ALA 14 3.092 1.051 -0.627 99 HA ALA 14 HA ALA 14 5.123 1.128 -2.615 100 HB1 ALA 14 HB1 ALA 14 4.327 3.368 -2.974 101 HB2 ALA 14 HB2 ALA 14 3.811 3.524 -1.295 102 HB3 ALA 14 HB3 ALA 14 2.935 2.454 -2.391 103 H ALA 15 H ALA 15 5.006 2.665 0.619 104 HA ALA 15 HA ALA 15 7.688 3.810 0.406 105 HB1 ALA 15 HB1 ALA 15 7.267 4.382 2.760 106 HB2 ALA 15 HB2 ALA 15 5.910 3.256 2.811 107 HB3 ALA 15 HB3 ALA 15 5.817 4.705 1.810 108 H TYR 16 H TYR 16 6.243 0.908 1.912 109 HA TYR 16 HA TYR 16 8.577 -0.061 3.256 110 HB2 TYR 16 HB2 TYR 16 6.112 -0.798 3.388 111 HB3 TYR 16 HB3 TYR 16 6.425 -1.732 1.925 112 HD1 TYR 16 HD1 TYR 16 7.307 -1.319 5.496 113 HD2 TYR 16 HD2 TYR 16 7.781 -3.732 1.973 114 HE1 TYR 16 HE1 TYR 16 8.301 -3.129 6.869 115 HE2 TYR 16 HE2 TYR 16 8.775 -5.541 3.346 116 HH TYR 16 HH TYR 16 8.444 -6.046 6.237 117 H CYS 17 H CYS 17 7.260 -0.851 0.017 118 HA CYS 17 HA CYS 17 9.438 -2.527 -0.831 119 HB2 CYS 17 HB2 CYS 17 7.070 -2.238 -1.779 120 HB3 CYS 17 HB3 CYS 17 7.671 -0.779 -2.566 121 HG CYS 17 HG CYS 17 9.547 -2.459 -3.665 122 H LEU 18 H LEU 18 8.907 0.982 -0.944 123 HA LEU 18 HA LEU 18 10.948 1.762 -2.758 124 HB2 LEU 18 HB2 LEU 18 9.183 2.911 -0.795 125 HB3 LEU 18 HB3 LEU 18 10.782 3.622 -0.594 126 HG LEU 18 HG LEU 18 9.577 3.352 -3.340 127 HD11 LEU 18 HD11 LEU 18 8.664 5.637 -3.084 128 HD12 LEU 18 HD12 LEU 18 9.126 5.627 -1.383 129 HD13 LEU 18 HD13 LEU 18 7.892 4.511 -1.968 130 HD21 LEU 18 HD21 LEU 18 11.890 3.979 -3.319 131 HD22 LEU 18 HD22 LEU 18 11.637 5.127 -2.004 132 HD23 LEU 18 HD23 LEU 18 10.990 5.467 -3.609 133 H SER 19 H SER 19 11.120 1.134 0.760 134 HA SER 19 HA SER 19 14.024 1.650 0.835 135 HB2 SER 19 HB2 SER 19 11.793 1.057 2.724 136 HB3 SER 19 HB3 SER 19 13.412 0.600 3.245 137 HG SER 19 HG SER 19 14.066 2.743 2.860 138 H THR 20 H THR 20 11.819 -1.136 0.806 139 HA THR 20 HA THR 20 13.754 -3.168 1.451 140 HB THR 20 HB THR 20 11.185 -3.216 -0.174 141 HG1 THR 20 HG1 THR 20 10.617 -2.669 1.825 142 HG21 THR 20 HG21 THR 20 12.549 -5.209 -0.619 143 HG22 THR 20 HG22 THR 20 11.149 -5.632 0.365 144 HG23 THR 20 HG23 THR 20 12.739 -5.479 1.114 145 H GLY 21 H GLY 21 12.709 -1.706 -1.629 146 HA2 GLY 21 HA2 GLY 21 14.471 -3.447 -3.206 147 HA3 GLY 21 HA3 GLY 21 13.480 -2.131 -3.833 148 H SER 22 H SER 22 14.471 -0.089 -2.021 149 HA SER 22 HA SER 22 17.281 0.178 -3.050 150 HB2 SER 22 HB2 SER 22 15.150 2.284 -2.555 151 HB3 SER 22 HB3 SER 22 16.760 2.591 -3.198 152 HG SER 22 HG SER 22 14.780 2.186 -4.658 Start of MODEL 11 1 HA SER 1 HA SER 1 -15.885 0.925 0.633 2 HB2 SER 1 HB2 SER 1 -16.701 -1.428 0.671 3 HB3 SER 1 HB3 SER 1 -18.031 -0.280 0.781 4 HG SER 1 HG SER 1 -17.332 -2.037 -1.244 5 H THR 2 H THR 2 -14.530 -1.306 0.238 6 HA THR 2 HA THR 2 -12.718 -2.276 -0.916 7 HB THR 2 HB THR 2 -14.225 -1.520 -3.423 8 HG1 THR 2 HG1 THR 2 -15.678 -3.094 -2.993 9 HG21 THR 2 HG21 THR 2 -13.535 -3.976 -3.901 10 HG22 THR 2 HG22 THR 2 -12.440 -3.778 -2.532 11 HG23 THR 2 HG23 THR 2 -12.279 -2.737 -3.947 12 H TRP 3 H TRP 3 -12.644 0.664 -0.371 13 HA TRP 3 HA TRP 3 -10.708 1.449 -2.526 14 HB2 TRP 3 HB2 TRP 3 -13.181 2.675 -1.595 15 HB3 TRP 3 HB3 TRP 3 -11.821 3.783 -1.418 16 HD1 TRP 3 HD1 TRP 3 -13.632 1.683 -4.081 17 HE1 TRP 3 HE1 TRP 3 -13.137 2.704 -6.399 18 HE3 TRP 3 HE3 TRP 3 -10.244 5.271 -2.763 19 HZ2 TRP 3 HZ2 TRP 3 -11.519 4.768 -7.539 20 HZ3 TRP 3 HZ3 TRP 3 -9.244 6.748 -4.482 21 HH2 TRP 3 HH2 TRP 3 -9.876 6.502 -6.866 22 H VAL 4 H VAL 4 -11.780 2.433 0.762 23 HA VAL 4 HA VAL 4 -9.296 3.585 1.573 24 HB VAL 4 HB VAL 4 -11.583 3.858 2.604 25 HG11 VAL 4 HG11 VAL 4 -10.986 1.233 3.989 26 HG12 VAL 4 HG12 VAL 4 -12.050 1.353 2.589 27 HG13 VAL 4 HG13 VAL 4 -12.462 2.193 4.083 28 HG21 VAL 4 HG21 VAL 4 -9.493 4.538 3.781 29 HG22 VAL 4 HG22 VAL 4 -9.423 2.942 4.529 30 HG23 VAL 4 HG23 VAL 4 -10.759 4.032 4.900 31 H LEU 5 H LEU 5 -10.437 0.233 1.616 32 HA LEU 5 HA LEU 5 -8.322 -0.788 3.335 33 HB2 LEU 5 HB2 LEU 5 -10.662 -1.723 1.860 34 HB3 LEU 5 HB3 LEU 5 -9.322 -2.859 1.724 35 HG LEU 5 HG LEU 5 -10.768 -3.329 3.697 36 HD11 LEU 5 HD11 LEU 5 -7.932 -2.407 4.241 37 HD12 LEU 5 HD12 LEU 5 -8.465 -4.037 3.829 38 HD13 LEU 5 HD13 LEU 5 -8.894 -3.338 5.390 39 HD21 LEU 5 HD21 LEU 5 -9.727 -0.676 4.742 40 HD22 LEU 5 HD22 LEU 5 -10.833 -1.777 5.564 41 HD23 LEU 5 HD23 LEU 5 -11.358 -0.919 4.115 42 H VAL 6 H VAL 6 -8.759 -0.435 -0.179 43 HA VAL 6 HA VAL 6 -6.118 -1.719 -0.684 44 HB VAL 6 HB VAL 6 -8.230 -0.633 -2.587 45 HG11 VAL 6 HG11 VAL 6 -6.196 -0.890 -3.788 46 HG12 VAL 6 HG12 VAL 6 -7.092 -2.374 -4.107 47 HG13 VAL 6 HG13 VAL 6 -5.782 -2.372 -2.928 48 HG21 VAL 6 HG21 VAL 6 -9.148 -2.417 -1.140 49 HG22 VAL 6 HG22 VAL 6 -7.791 -3.460 -1.561 50 HG23 VAL 6 HG23 VAL 6 -8.958 -2.989 -2.797 51 H GLY 7 H GLY 7 -6.791 1.172 0.446 52 HA2 GLY 7 HA2 GLY 7 -5.160 2.701 -1.537 53 HA3 GLY 7 HA3 GLY 7 -6.283 3.438 -0.393 54 H GLY 8 H GLY 8 -5.697 2.532 2.011 55 HA2 GLY 8 HA2 GLY 8 -3.242 3.776 2.745 56 HA3 GLY 8 HA3 GLY 8 -4.173 2.699 3.788 57 H VAL 9 H VAL 9 -4.054 0.299 2.428 58 HA VAL 9 HA VAL 9 -1.464 -0.724 3.103 59 HB VAL 9 HB VAL 9 -3.667 -1.776 1.287 60 HG11 VAL 9 HG11 VAL 9 -2.569 -4.019 2.083 61 HG12 VAL 9 HG12 VAL 9 -1.146 -3.017 2.365 62 HG13 VAL 9 HG13 VAL 9 -1.834 -3.134 0.746 63 HG21 VAL 9 HG21 VAL 9 -3.804 -3.227 3.574 64 HG22 VAL 9 HG22 VAL 9 -4.725 -1.745 3.323 65 HG23 VAL 9 HG23 VAL 9 -3.211 -1.698 4.224 66 H LEU 10 H LEU 10 -2.863 0.322 -0.007 67 HA LEU 10 HA LEU 10 -0.765 -0.503 -1.748 68 HB2 LEU 10 HB2 LEU 10 -3.173 0.876 -1.888 69 HB3 LEU 10 HB3 LEU 10 -1.994 2.106 -2.339 70 HG LEU 10 HG LEU 10 -1.899 -0.650 -3.561 71 HD11 LEU 10 HD11 LEU 10 -3.982 -0.174 -4.378 72 HD12 LEU 10 HD12 LEU 10 -3.073 0.838 -5.500 73 HD13 LEU 10 HD13 LEU 10 -3.822 1.555 -4.074 74 HD21 LEU 10 HD21 LEU 10 -0.061 0.301 -4.469 75 HD22 LEU 10 HD22 LEU 10 -0.493 1.889 -3.837 76 HD23 LEU 10 HD23 LEU 10 -1.153 1.346 -5.379 77 H ALA 11 H ALA 11 -1.224 2.573 0.027 78 HA ALA 11 HA ALA 11 1.218 3.824 -0.849 79 HB1 ALA 11 HB1 ALA 11 -0.434 4.174 1.679 80 HB2 ALA 11 HB2 ALA 11 -0.736 4.984 0.142 81 HB3 ALA 11 HB3 ALA 11 0.732 5.339 1.052 82 H ALA 12 H ALA 12 0.433 1.722 1.930 83 HA ALA 12 HA ALA 12 2.875 1.983 3.383 84 HB1 ALA 12 HB1 ALA 12 0.698 0.860 4.053 85 HB2 ALA 12 HB2 ALA 12 2.144 -0.076 4.434 86 HB3 ALA 12 HB3 ALA 12 1.163 -0.501 3.032 87 H LEU 13 H LEU 13 1.966 -0.169 0.688 88 HA LEU 13 HA LEU 13 4.470 -1.635 0.619 89 HB2 LEU 13 HB2 LEU 13 1.943 -1.396 -0.882 90 HB3 LEU 13 HB3 LEU 13 3.327 -1.803 -1.894 91 HG LEU 13 HG LEU 13 3.865 -3.556 -0.034 92 HD11 LEU 13 HD11 LEU 13 2.089 -2.591 1.497 93 HD12 LEU 13 HD12 LEU 13 1.977 -4.332 1.241 94 HD13 LEU 13 HD13 LEU 13 0.881 -3.244 0.390 95 HD21 LEU 13 HD21 LEU 13 1.469 -3.885 -1.873 96 HD22 LEU 13 HD22 LEU 13 2.401 -5.202 -1.163 97 HD23 LEU 13 HD23 LEU 13 3.157 -4.120 -2.332 98 H ALA 14 H ALA 14 3.226 1.259 -1.063 99 HA ALA 14 HA ALA 14 5.291 1.579 -2.993 100 HB1 ALA 14 HB1 ALA 14 4.557 3.949 -2.938 101 HB2 ALA 14 HB2 ALA 14 3.732 3.654 -1.407 102 HB3 ALA 14 HB3 ALA 14 3.170 2.861 -2.878 103 H ALA 15 H ALA 15 5.138 2.566 0.429 104 HA ALA 15 HA ALA 15 7.763 3.873 0.389 105 HB1 ALA 15 HB1 ALA 15 5.773 3.033 2.518 106 HB2 ALA 15 HB2 ALA 15 6.081 4.662 1.917 107 HB3 ALA 15 HB3 ALA 15 7.289 3.845 2.908 108 H TYR 16 H TYR 16 6.428 0.740 1.475 109 HA TYR 16 HA TYR 16 8.832 -0.284 2.677 110 HB2 TYR 16 HB2 TYR 16 6.382 -1.074 2.828 111 HB3 TYR 16 HB3 TYR 16 6.663 -1.873 1.280 112 HD1 TYR 16 HD1 TYR 16 7.908 -1.642 4.790 113 HD2 TYR 16 HD2 TYR 16 7.808 -3.945 1.165 114 HE1 TYR 16 HE1 TYR 16 8.986 -3.540 5.966 115 HE2 TYR 16 HE2 TYR 16 8.887 -5.843 2.341 116 HH TYR 16 HH TYR 16 8.913 -6.420 5.257 117 H CYS 17 H CYS 17 7.411 -0.789 -0.584 118 HA CYS 17 HA CYS 17 9.499 -2.397 -1.671 119 HB2 CYS 17 HB2 CYS 17 7.189 -1.881 -2.593 120 HB3 CYS 17 HB3 CYS 17 7.816 -0.314 -3.103 121 HG CYS 17 HG CYS 17 9.090 -2.974 -4.156 122 H LEU 18 H LEU 18 9.295 1.096 -1.172 123 HA LEU 18 HA LEU 18 11.543 1.791 -2.893 124 HB2 LEU 18 HB2 LEU 18 9.464 3.096 -1.677 125 HB3 LEU 18 HB3 LEU 18 10.801 3.541 -0.620 126 HG LEU 18 HG LEU 18 12.076 4.081 -2.822 127 HD11 LEU 18 HD11 LEU 18 10.622 3.135 -4.457 128 HD12 LEU 18 HD12 LEU 18 10.403 4.880 -4.595 129 HD13 LEU 18 HD13 LEU 18 9.202 3.905 -3.747 130 HD21 LEU 18 HD21 LEU 18 11.150 5.721 -1.116 131 HD22 LEU 18 HD22 LEU 18 9.705 5.836 -2.120 132 HD23 LEU 18 HD23 LEU 18 11.267 6.349 -2.759 133 H SER 19 H SER 19 11.120 1.408 0.647 134 HA SER 19 HA SER 19 13.978 1.839 1.176 135 HB2 SER 19 HB2 SER 19 12.054 2.506 2.664 136 HB3 SER 19 HB3 SER 19 11.761 0.797 2.967 137 HG SER 19 HG SER 19 13.943 2.415 3.708 138 H THR 20 H THR 20 11.743 -0.957 1.523 139 HA THR 20 HA THR 20 13.811 -2.856 2.196 140 HB THR 20 HB THR 20 11.112 -3.370 0.909 141 HG1 THR 20 HG1 THR 20 11.721 -2.950 3.651 142 HG21 THR 20 HG21 THR 20 12.432 -5.372 1.148 143 HG22 THR 20 HG22 THR 20 11.223 -5.382 2.431 144 HG23 THR 20 HG23 THR 20 12.890 -4.938 2.794 145 H GLY 21 H GLY 21 12.106 -2.130 -0.875 146 HA2 GLY 21 HA2 GLY 21 13.622 -4.067 -2.409 147 HA3 GLY 21 HA3 GLY 21 12.592 -2.802 -3.077 148 H SER 22 H SER 22 13.733 -0.486 -2.199 149 HA SER 22 HA SER 22 15.473 1.027 -2.697 150 HB2 SER 22 HB2 SER 22 16.451 -0.476 -0.913 151 HB3 SER 22 HB3 SER 22 17.187 -1.430 -2.198 152 HG SER 22 HG SER 22 18.347 0.385 -2.826 Start of MODEL 12 1 HA SER 1 HA SER 1 -16.020 3.451 0.222 2 HB2 SER 1 HB2 SER 1 -17.756 3.504 2.128 3 HB3 SER 1 HB3 SER 1 -16.814 2.208 2.859 4 HG SER 1 HG SER 1 -15.197 3.566 3.216 5 H THR 2 H THR 2 -15.372 1.005 -0.947 6 HA THR 2 HA THR 2 -13.464 -0.312 0.949 7 HB THR 2 HB THR 2 -14.246 -1.276 -1.804 8 HG1 THR 2 HG1 THR 2 -15.679 -1.674 0.617 9 HG21 THR 2 HG21 THR 2 -13.925 -3.491 -0.671 10 HG22 THR 2 HG22 THR 2 -13.417 -2.625 0.779 11 HG23 THR 2 HG23 THR 2 -12.467 -2.500 -0.701 12 H TRP 3 H TRP 3 -13.014 2.316 -0.531 13 HA TRP 3 HA TRP 3 -10.780 1.545 -2.362 14 HB2 TRP 3 HB2 TRP 3 -12.816 3.214 -2.778 15 HB3 TRP 3 HB3 TRP 3 -11.758 4.348 -1.939 16 HD1 TRP 3 HD1 TRP 3 -10.144 5.590 -3.443 17 HE1 TRP 3 HE1 TRP 3 -9.075 5.181 -5.752 18 HE3 TRP 3 HE3 TRP 3 -12.015 0.950 -4.473 19 HZ2 TRP 3 HZ2 TRP 3 -9.020 3.154 -7.770 20 HZ3 TRP 3 HZ3 TRP 3 -11.439 -0.195 -6.593 21 HH2 TRP 3 HH2 TRP 3 -9.945 0.900 -8.242 22 H VAL 4 H VAL 4 -11.525 3.571 0.479 23 HA VAL 4 HA VAL 4 -8.913 4.675 0.871 24 HB VAL 4 HB VAL 4 -11.137 4.020 2.840 25 HG11 VAL 4 HG11 VAL 4 -8.941 6.106 3.031 26 HG12 VAL 4 HG12 VAL 4 -8.909 4.557 3.874 27 HG13 VAL 4 HG13 VAL 4 -10.160 5.740 4.251 28 HG21 VAL 4 HG21 VAL 4 -10.646 6.263 0.901 29 HG22 VAL 4 HG22 VAL 4 -11.465 6.612 2.424 30 HG23 VAL 4 HG23 VAL 4 -12.157 5.444 1.299 31 H LEU 5 H LEU 5 -10.430 1.689 2.129 32 HA LEU 5 HA LEU 5 -8.264 0.910 3.854 33 HB2 LEU 5 HB2 LEU 5 -10.736 -0.224 2.691 34 HB3 LEU 5 HB3 LEU 5 -9.505 -1.422 3.085 35 HG LEU 5 HG LEU 5 -11.021 -1.029 4.998 36 HD11 LEU 5 HD11 LEU 5 -8.384 0.233 5.722 37 HD12 LEU 5 HD12 LEU 5 -8.452 -1.448 5.193 38 HD13 LEU 5 HD13 LEU 5 -9.337 -0.941 6.630 39 HD21 LEU 5 HD21 LEU 5 -9.896 1.789 5.012 40 HD22 LEU 5 HD22 LEU 5 -11.123 1.128 6.093 41 HD23 LEU 5 HD23 LEU 5 -11.493 1.376 4.387 42 H VAL 6 H VAL 6 -9.071 -0.013 0.485 43 HA VAL 6 HA VAL 6 -6.794 -1.746 0.113 44 HB VAL 6 HB VAL 6 -8.540 -0.202 -1.837 45 HG11 VAL 6 HG11 VAL 6 -6.717 -0.854 -3.150 46 HG12 VAL 6 HG12 VAL 6 -7.793 -2.243 -3.314 47 HG13 VAL 6 HG13 VAL 6 -6.427 -2.312 -2.200 48 HG21 VAL 6 HG21 VAL 6 -9.858 -2.217 -1.975 49 HG22 VAL 6 HG22 VAL 6 -9.670 -1.844 -0.263 50 HG23 VAL 6 HG23 VAL 6 -8.693 -3.114 -1.001 51 H GLY 7 H GLY 7 -7.381 1.690 -0.566 52 HA2 GLY 7 HA2 GLY 7 -4.911 2.223 -1.913 53 HA3 GLY 7 HA3 GLY 7 -5.904 3.434 -1.101 54 H GLY 8 H GLY 8 -5.829 2.319 1.531 55 HA2 GLY 8 HA2 GLY 8 -3.386 3.413 2.531 56 HA3 GLY 8 HA3 GLY 8 -4.498 2.407 3.461 57 H VAL 9 H VAL 9 -4.423 0.009 2.103 58 HA VAL 9 HA VAL 9 -1.959 -1.180 2.998 59 HB VAL 9 HB VAL 9 -4.172 -2.091 1.122 60 HG11 VAL 9 HG11 VAL 9 -2.423 -3.559 0.577 61 HG12 VAL 9 HG12 VAL 9 -3.244 -4.413 1.883 62 HG13 VAL 9 HG13 VAL 9 -1.757 -3.524 2.210 63 HG21 VAL 9 HG21 VAL 9 -3.634 -2.946 3.974 64 HG22 VAL 9 HG22 VAL 9 -5.112 -3.154 3.035 65 HG23 VAL 9 HG23 VAL 9 -4.643 -1.550 3.595 66 H LEU 10 H LEU 10 -3.145 -0.256 -0.249 67 HA LEU 10 HA LEU 10 -0.931 -1.202 -1.784 68 HB2 LEU 10 HB2 LEU 10 -3.258 0.533 -2.054 69 HB3 LEU 10 HB3 LEU 10 -1.889 1.173 -2.960 70 HG LEU 10 HG LEU 10 -1.588 -1.047 -4.037 71 HD11 LEU 10 HD11 LEU 10 -2.455 -2.650 -2.576 72 HD12 LEU 10 HD12 LEU 10 -3.743 -2.538 -3.775 73 HD13 LEU 10 HD13 LEU 10 -3.900 -1.700 -2.231 74 HD21 LEU 10 HD21 LEU 10 -4.376 0.135 -4.257 75 HD22 LEU 10 HD22 LEU 10 -3.634 -0.937 -5.445 76 HD23 LEU 10 HD23 LEU 10 -2.952 0.664 -5.154 77 H ALA 11 H ALA 11 -1.467 1.892 -0.090 78 HA ALA 11 HA ALA 11 0.993 3.146 -0.974 79 HB1 ALA 11 HB1 ALA 11 0.395 4.780 0.771 80 HB2 ALA 11 HB2 ALA 11 -0.759 3.638 1.460 81 HB3 ALA 11 HB3 ALA 11 -1.043 4.320 -0.142 82 H ALA 12 H ALA 12 0.095 1.133 1.826 83 HA ALA 12 HA ALA 12 2.422 1.526 3.431 84 HB1 ALA 12 HB1 ALA 12 1.698 -0.546 4.483 85 HB2 ALA 12 HB2 ALA 12 0.790 -1.006 3.043 86 HB3 ALA 12 HB3 ALA 12 0.259 0.363 4.020 87 H LEU 13 H LEU 13 1.775 -0.777 0.776 88 HA LEU 13 HA LEU 13 4.377 -2.081 0.955 89 HB2 LEU 13 HB2 LEU 13 1.872 -2.321 -0.464 90 HB3 LEU 13 HB3 LEU 13 3.199 -2.390 -1.621 91 HG LEU 13 HG LEU 13 2.691 -4.642 -0.816 92 HD11 LEU 13 HD11 LEU 13 5.191 -4.064 0.693 93 HD12 LEU 13 HD12 LEU 13 5.163 -3.594 -1.006 94 HD13 LEU 13 HD13 LEU 13 4.882 -5.274 -0.551 95 HD21 LEU 13 HD21 LEU 13 3.230 -3.461 1.928 96 HD22 LEU 13 HD22 LEU 13 3.033 -5.183 1.600 97 HD23 LEU 13 HD23 LEU 13 1.686 -4.074 1.337 98 H ALA 14 H ALA 14 3.026 0.623 -0.925 99 HA ALA 14 HA ALA 14 5.115 0.905 -2.849 100 HB1 ALA 14 HB1 ALA 14 3.387 2.983 -1.453 101 HB2 ALA 14 HB2 ALA 14 2.936 2.075 -2.897 102 HB3 ALA 14 HB3 ALA 14 4.260 3.240 -2.964 103 H ALA 15 H ALA 15 4.776 2.248 0.448 104 HA ALA 15 HA ALA 15 7.324 3.662 0.392 105 HB1 ALA 15 HB1 ALA 15 5.355 2.817 2.538 106 HB2 ALA 15 HB2 ALA 15 5.563 4.423 1.840 107 HB3 ALA 15 HB3 ALA 15 6.803 3.756 2.899 108 H TYR 16 H TYR 16 6.195 0.516 1.676 109 HA TYR 16 HA TYR 16 8.642 -0.238 2.974 110 HB2 TYR 16 HB2 TYR 16 6.542 -1.361 3.429 111 HB3 TYR 16 HB3 TYR 16 6.356 -1.803 1.731 112 HD1 TYR 16 HD2 TYR 16 8.776 -2.188 4.574 113 HD2 TYR 16 HD1 TYR 16 7.087 -3.906 1.018 114 HE1 TYR 16 HE2 TYR 16 10.068 -4.268 4.964 115 HE2 TYR 16 HE1 TYR 16 8.379 -5.985 1.408 116 HH TYR 16 HH TYR 16 9.519 -6.977 4.018 117 H CYS 17 H CYS 17 7.340 -1.174 -0.243 118 HA CYS 17 HA CYS 17 9.559 -2.632 -1.208 119 HB2 CYS 17 HB2 CYS 17 7.251 -2.331 -2.210 120 HB3 CYS 17 HB3 CYS 17 7.775 -0.747 -2.782 121 HG CYS 17 HG CYS 17 9.206 -3.380 -3.693 122 H LEU 18 H LEU 18 9.019 0.889 -1.156 123 HA LEU 18 HA LEU 18 11.230 1.683 -2.794 124 HB2 LEU 18 HB2 LEU 18 9.154 2.907 -1.590 125 HB3 LEU 18 HB3 LEU 18 10.409 3.305 -0.420 126 HG LEU 18 HG LEU 18 11.820 4.112 -2.377 127 HD11 LEU 18 HD11 LEU 18 9.158 3.726 -3.772 128 HD12 LEU 18 HD12 LEU 18 10.712 3.019 -4.215 129 HD13 LEU 18 HD13 LEU 18 10.444 4.751 -4.408 130 HD21 LEU 18 HD21 LEU 18 10.483 5.598 -0.832 131 HD22 LEU 18 HD22 LEU 18 9.178 5.557 -2.017 132 HD23 LEU 18 HD23 LEU 18 10.733 6.273 -2.440 133 H SER 19 H SER 19 10.979 1.344 0.767 134 HA SER 19 HA SER 19 13.763 1.937 1.287 135 HB2 SER 19 HB2 SER 19 11.593 1.923 2.785 136 HB3 SER 19 HB3 SER 19 12.024 0.238 3.060 137 HG SER 19 HG SER 19 13.706 2.499 3.475 138 H THR 20 H THR 20 12.060 -1.009 0.364 139 HA THR 20 HA THR 20 13.943 -2.957 1.301 140 HB THR 20 HB THR 20 12.205 -2.992 -1.194 141 HG1 THR 20 HG1 THR 20 11.644 -3.503 1.532 142 HG21 THR 20 HG21 THR 20 13.793 -4.844 -1.101 143 HG22 THR 20 HG22 THR 20 12.168 -5.441 -0.764 144 HG23 THR 20 HG23 THR 20 13.311 -5.205 0.557 145 H GLY 21 H GLY 21 13.757 -1.113 -1.756 146 HA2 GLY 21 HA2 GLY 21 16.294 -2.320 -2.689 147 HA3 GLY 21 HA3 GLY 21 15.258 -1.242 -3.623 148 H SER 22 H SER 22 15.003 0.847 -1.678 149 HA SER 22 HA SER 22 17.531 2.247 -2.129 150 HB2 SER 22 HB2 SER 22 15.155 3.179 -2.200 151 HB3 SER 22 HB3 SER 22 15.148 3.067 -0.443 152 HG SER 22 HG SER 22 16.807 4.526 -0.355 Start of MODEL 13 1 HA SER 1 HA SER 1 -15.715 -1.624 0.567 2 HB2 SER 1 HB2 SER 1 -13.977 0.243 1.047 3 HB3 SER 1 HB3 SER 1 -15.488 0.284 1.950 4 HG SER 1 HG SER 1 -14.242 0.230 3.642 5 H THR 2 H THR 2 -14.238 -1.796 -1.177 6 HA THR 2 HA THR 2 -11.783 -3.439 -0.630 7 HB THR 2 HB THR 2 -13.309 -3.279 -3.237 8 HG1 THR 2 HG1 THR 2 -13.794 -4.985 -1.019 9 HG21 THR 2 HG21 THR 2 -11.262 -5.072 -1.991 10 HG22 THR 2 HG22 THR 2 -11.351 -4.449 -3.638 11 HG23 THR 2 HG23 THR 2 -12.407 -5.769 -3.136 12 H TRP 3 H TRP 3 -12.249 -0.363 -0.856 13 HA TRP 3 HA TRP 3 -10.105 0.115 -2.897 14 HB2 TRP 3 HB2 TRP 3 -12.765 0.830 -3.103 15 HB3 TRP 3 HB3 TRP 3 -12.040 2.290 -2.426 16 HD1 TRP 3 HD1 TRP 3 -9.567 2.923 -3.766 17 HE1 TRP 3 HE1 TRP 3 -9.237 3.082 -6.317 18 HE3 TRP 3 HE3 TRP 3 -13.554 0.152 -5.348 19 HZ2 TRP 3 HZ2 TRP 3 -10.497 2.159 -8.712 20 HZ3 TRP 3 HZ3 TRP 3 -13.965 -0.191 -7.768 21 HH2 TRP 3 HH2 TRP 3 -12.443 0.807 -9.450 22 H VAL 4 H VAL 4 -11.828 1.578 -0.108 23 HA VAL 4 HA VAL 4 -9.849 3.517 0.575 24 HB VAL 4 HB VAL 4 -11.845 1.989 2.290 25 HG11 VAL 4 HG11 VAL 4 -10.102 3.177 3.614 26 HG12 VAL 4 HG12 VAL 4 -11.696 3.901 3.819 27 HG13 VAL 4 HG13 VAL 4 -10.507 4.672 2.770 28 HG21 VAL 4 HG21 VAL 4 -12.016 4.408 0.509 29 HG22 VAL 4 HG22 VAL 4 -13.065 4.290 1.921 30 HG23 VAL 4 HG23 VAL 4 -13.142 3.060 0.662 31 H LEU 5 H LEU 5 -10.381 0.229 1.922 32 HA LEU 5 HA LEU 5 -8.084 0.223 3.648 33 HB2 LEU 5 HB2 LEU 5 -10.194 -1.549 2.743 34 HB3 LEU 5 HB3 LEU 5 -8.661 -2.418 2.810 35 HG LEU 5 HG LEU 5 -9.466 -0.642 5.099 36 HD11 LEU 5 HD11 LEU 5 -11.408 -2.090 4.720 37 HD12 LEU 5 HD12 LEU 5 -10.538 -2.618 6.161 38 HD13 LEU 5 HD13 LEU 5 -10.360 -3.507 4.648 39 HD21 LEU 5 HD21 LEU 5 -7.251 -1.462 5.286 40 HD22 LEU 5 HD22 LEU 5 -7.696 -3.050 4.662 41 HD23 LEU 5 HD23 LEU 5 -8.197 -2.566 6.283 42 H VAL 6 H VAL 6 -8.558 -0.951 0.301 43 HA VAL 6 HA VAL 6 -5.930 -2.055 -0.050 44 HB VAL 6 HB VAL 6 -7.969 -0.910 -1.987 45 HG11 VAL 6 HG11 VAL 6 -6.063 -0.991 -3.320 46 HG12 VAL 6 HG12 VAL 6 -6.677 -2.632 -3.524 47 HG13 VAL 6 HG13 VAL 6 -5.352 -2.319 -2.403 48 HG21 VAL 6 HG21 VAL 6 -8.944 -2.760 -0.861 49 HG22 VAL 6 HG22 VAL 6 -7.427 -3.660 -0.853 50 HG23 VAL 6 HG23 VAL 6 -8.315 -3.444 -2.360 51 H GLY 7 H GLY 7 -7.266 1.183 -0.593 52 HA2 GLY 7 HA2 GLY 7 -4.999 2.330 -1.902 53 HA3 GLY 7 HA3 GLY 7 -6.219 3.241 -1.010 54 H GLY 8 H GLY 8 -5.872 2.107 1.558 55 HA2 GLY 8 HA2 GLY 8 -3.673 3.619 2.574 56 HA3 GLY 8 HA3 GLY 8 -4.556 2.389 3.481 57 H VAL 9 H VAL 9 -4.029 0.102 1.998 58 HA VAL 9 HA VAL 9 -1.375 -0.617 2.864 59 HB VAL 9 HB VAL 9 -3.355 -1.894 0.941 60 HG11 VAL 9 HG11 VAL 9 -1.988 -3.998 1.756 61 HG12 VAL 9 HG12 VAL 9 -0.711 -2.815 2.033 62 HG13 VAL 9 HG13 VAL 9 -1.383 -3.025 0.416 63 HG21 VAL 9 HG21 VAL 9 -3.874 -3.321 2.910 64 HG22 VAL 9 HG22 VAL 9 -4.200 -1.619 3.236 65 HG23 VAL 9 HG23 VAL 9 -2.742 -2.376 3.877 66 H LEU 10 H LEU 10 -2.731 0.343 -0.290 67 HA LEU 10 HA LEU 10 -0.518 -0.222 -1.973 68 HB2 LEU 10 HB2 LEU 10 -2.990 1.249 -2.010 69 HB3 LEU 10 HB3 LEU 10 -1.735 2.251 -2.735 70 HG LEU 10 HG LEU 10 -1.082 0.211 -4.120 71 HD11 LEU 10 HD11 LEU 10 -2.551 -1.636 -4.257 72 HD12 LEU 10 HD12 LEU 10 -3.850 -0.775 -3.433 73 HD13 LEU 10 HD13 LEU 10 -2.439 -1.319 -2.526 74 HD21 LEU 10 HD21 LEU 10 -2.958 0.554 -5.719 75 HD22 LEU 10 HD22 LEU 10 -2.354 2.080 -5.076 76 HD23 LEU 10 HD23 LEU 10 -3.857 1.396 -4.457 77 H ALA 11 H ALA 11 -1.184 2.636 0.064 78 HA ALA 11 HA ALA 11 1.260 4.034 -0.735 79 HB1 ALA 11 HB1 ALA 11 0.529 5.468 1.266 80 HB2 ALA 11 HB2 ALA 11 -0.834 4.362 1.432 81 HB3 ALA 11 HB3 ALA 11 -0.646 5.317 -0.039 82 H ALA 12 H ALA 12 0.226 2.029 2.034 83 HA ALA 12 HA ALA 12 2.545 2.378 3.676 84 HB1 ALA 12 HB1 ALA 12 0.760 -0.058 3.339 85 HB2 ALA 12 HB2 ALA 12 0.337 1.356 4.304 86 HB3 ALA 12 HB3 ALA 12 1.711 0.353 4.767 87 H LEU 13 H LEU 13 1.785 -0.038 1.144 88 HA LEU 13 HA LEU 13 4.356 -1.396 1.367 89 HB2 LEU 13 HB2 LEU 13 1.855 -1.881 0.250 90 HB3 LEU 13 HB3 LEU 13 2.883 -1.644 -1.163 91 HG LEU 13 HG LEU 13 2.858 -4.014 -0.503 92 HD11 LEU 13 HD11 LEU 13 5.521 -2.764 0.225 93 HD12 LEU 13 HD12 LEU 13 4.946 -2.952 -1.432 94 HD13 LEU 13 HD13 LEU 13 5.248 -4.377 -0.435 95 HD21 LEU 13 HD21 LEU 13 4.313 -3.364 2.035 96 HD22 LEU 13 HD22 LEU 13 3.333 -4.774 1.638 97 HD23 LEU 13 HD23 LEU 13 2.553 -3.240 2.020 98 H ALA 14 H ALA 14 3.093 1.313 -0.547 99 HA ALA 14 HA ALA 14 5.055 1.405 -2.610 100 HB1 ALA 14 HB1 ALA 14 4.493 3.915 -2.483 101 HB2 ALA 14 HB2 ALA 14 3.464 3.505 -1.111 102 HB3 ALA 14 HB3 ALA 14 3.125 2.824 -2.702 103 H ALA 15 H ALA 15 5.105 2.755 0.702 104 HA ALA 15 HA ALA 15 7.811 3.853 0.411 105 HB1 ALA 15 HB1 ALA 15 5.933 4.722 1.892 106 HB2 ALA 15 HB2 ALA 15 7.471 4.489 2.723 107 HB3 ALA 15 HB3 ALA 15 6.179 3.304 2.913 108 H TYR 16 H TYR 16 6.312 0.970 1.903 109 HA TYR 16 HA TYR 16 8.666 -0.093 3.152 110 HB2 TYR 16 HB2 TYR 16 6.194 -0.738 3.407 111 HB3 TYR 16 HB3 TYR 16 6.380 -1.655 1.913 112 HD1 TYR 16 HD1 TYR 16 7.405 -1.385 5.448 113 HD2 TYR 16 HD2 TYR 16 7.725 -3.680 1.831 114 HE1 TYR 16 HE1 TYR 16 8.401 -3.261 6.727 115 HE2 TYR 16 HE2 TYR 16 8.720 -5.556 3.110 116 HH TYR 16 HH TYR 16 10.132 -5.486 5.675 117 H CYS 17 H CYS 17 7.219 -0.688 -0.070 118 HA CYS 17 HA CYS 17 9.202 -2.534 -1.023 119 HB2 CYS 17 HB2 CYS 17 6.895 -2.026 -1.951 120 HB3 CYS 17 HB3 CYS 17 7.559 -0.527 -2.602 121 HG CYS 17 HG CYS 17 8.635 -3.340 -3.467 122 H LEU 18 H LEU 18 9.024 1.017 -1.016 123 HA LEU 18 HA LEU 18 11.195 1.587 -2.783 124 HB2 LEU 18 HB2 LEU 18 9.373 2.943 -1.121 125 HB3 LEU 18 HB3 LEU 18 10.959 3.414 -0.522 126 HG LEU 18 HG LEU 18 11.215 3.499 -3.310 127 HD11 LEU 18 HD11 LEU 18 9.324 5.070 -3.904 128 HD12 LEU 18 HD12 LEU 18 8.547 4.603 -2.391 129 HD13 LEU 18 HD13 LEU 18 8.828 3.396 -3.646 130 HD21 LEU 18 HD21 LEU 18 12.308 5.113 -1.958 131 HD22 LEU 18 HD22 LEU 18 10.805 5.584 -1.161 132 HD23 LEU 18 HD23 LEU 18 11.095 6.040 -2.839 133 H SER 19 H SER 19 11.122 1.023 0.745 134 HA SER 19 HA SER 19 14.002 1.377 1.082 135 HB2 SER 19 HB2 SER 19 11.610 0.661 2.698 136 HB3 SER 19 HB3 SER 19 13.152 0.062 3.302 137 HG SER 19 HG SER 19 13.866 2.098 3.532 138 H THR 20 H THR 20 11.791 -1.416 0.761 139 HA THR 20 HA THR 20 13.773 -3.459 1.239 140 HB THR 20 HB THR 20 11.148 -3.422 -0.292 141 HG1 THR 20 HG1 THR 20 10.577 -3.153 1.732 142 HG21 THR 20 HG21 THR 20 12.009 -5.411 -1.068 143 HG22 THR 20 HG22 THR 20 11.382 -5.975 0.480 144 HG23 THR 20 HG23 THR 20 13.096 -5.599 0.307 145 H GLY 21 H GLY 21 12.789 -1.655 -1.651 146 HA2 GLY 21 HA2 GLY 21 14.129 -3.343 -3.568 147 HA3 GLY 21 HA3 GLY 21 13.614 -1.680 -3.847 148 H SER 22 H SER 22 15.141 -0.488 -1.696 149 HA SER 22 HA SER 22 17.782 -0.418 -3.015 150 HB2 SER 22 HB2 SER 22 16.366 1.131 -0.839 151 HB3 SER 22 HB3 SER 22 18.068 1.408 -1.200 152 HG SER 22 HG SER 22 15.803 1.764 -2.854 Start of MODEL 14 1 HA SER 1 HA SER 1 -16.899 2.116 1.160 2 HB2 SER 1 HB2 SER 1 -14.857 3.614 -0.508 3 HB3 SER 1 HB3 SER 1 -15.702 2.174 -1.065 4 HG SER 1 HG SER 1 -17.405 3.354 -1.411 5 H THR 2 H THR 2 -15.515 0.207 0.154 6 HA THR 2 HA THR 2 -13.658 -0.693 2.203 7 HB THR 2 HB THR 2 -14.171 -1.904 -0.524 8 HG1 THR 2 HG1 THR 2 -16.151 -2.185 0.065 9 HG21 THR 2 HG21 THR 2 -13.884 -4.020 0.758 10 HG22 THR 2 HG22 THR 2 -13.531 -3.069 2.200 11 HG23 THR 2 HG23 THR 2 -12.446 -3.001 0.812 12 H TRP 3 H TRP 3 -13.287 1.018 -0.794 13 HA TRP 3 HA TRP 3 -10.635 0.196 -1.521 14 HB2 TRP 3 HB2 TRP 3 -12.563 1.663 -2.660 15 HB3 TRP 3 HB3 TRP 3 -11.602 2.985 -1.998 16 HD1 TRP 3 HD1 TRP 3 -9.942 3.853 -3.700 17 HE1 TRP 3 HE1 TRP 3 -8.483 2.828 -5.563 18 HE3 TRP 3 HE3 TRP 3 -11.324 -1.051 -3.308 19 HZ2 TRP 3 HZ2 TRP 3 -7.970 0.268 -6.730 20 HZ3 TRP 3 HZ3 TRP 3 -10.335 -2.758 -4.808 21 HH2 TRP 3 HH2 TRP 3 -8.661 -2.106 -6.516 22 H VAL 4 H VAL 4 -11.782 2.286 1.041 23 HA VAL 4 HA VAL 4 -9.533 3.999 1.387 24 HB VAL 4 HB VAL 4 -11.814 4.101 2.489 25 HG11 VAL 4 HG11 VAL 4 -10.657 2.112 4.454 26 HG12 VAL 4 HG12 VAL 4 -11.752 1.636 3.157 27 HG13 VAL 4 HG13 VAL 4 -12.298 2.757 4.403 28 HG21 VAL 4 HG21 VAL 4 -9.366 4.190 4.280 29 HG22 VAL 4 HG22 VAL 4 -10.921 4.927 4.669 30 HG23 VAL 4 HG23 VAL 4 -9.988 5.512 3.291 31 H LEU 5 H LEU 5 -10.108 0.664 2.526 32 HA LEU 5 HA LEU 5 -7.573 0.547 4.008 33 HB2 LEU 5 HB2 LEU 5 -9.992 -0.785 4.054 34 HB3 LEU 5 HB3 LEU 5 -8.949 -1.954 3.246 35 HG LEU 5 HG LEU 5 -8.114 -0.568 5.799 36 HD11 LEU 5 HD11 LEU 5 -10.220 -1.753 6.248 37 HD12 LEU 5 HD12 LEU 5 -8.869 -2.614 6.986 38 HD13 LEU 5 HD13 LEU 5 -9.579 -3.208 5.484 39 HD21 LEU 5 HD21 LEU 5 -6.307 -1.618 4.571 40 HD22 LEU 5 HD22 LEU 5 -7.255 -3.087 4.342 41 HD23 LEU 5 HD23 LEU 5 -6.688 -2.645 5.953 42 H VAL 6 H VAL 6 -8.863 -0.621 0.897 43 HA VAL 6 HA VAL 6 -6.579 -2.142 0.067 44 HB VAL 6 HB VAL 6 -8.725 -0.630 -1.464 45 HG11 VAL 6 HG11 VAL 6 -6.498 -2.423 -2.347 46 HG12 VAL 6 HG12 VAL 6 -7.207 -1.029 -3.162 47 HG13 VAL 6 HG13 VAL 6 -8.056 -2.575 -3.160 48 HG21 VAL 6 HG21 VAL 6 -9.717 -2.318 -0.071 49 HG22 VAL 6 HG22 VAL 6 -8.459 -3.485 -0.482 50 HG23 VAL 6 HG23 VAL 6 -9.642 -2.998 -1.697 51 H GLY 7 H GLY 7 -7.540 1.224 -0.632 52 HA2 GLY 7 HA2 GLY 7 -5.175 1.899 -2.120 53 HA3 GLY 7 HA3 GLY 7 -6.283 3.059 -1.386 54 H GLY 8 H GLY 8 -6.012 2.075 1.329 55 HA2 GLY 8 HA2 GLY 8 -3.767 3.586 2.223 56 HA3 GLY 8 HA3 GLY 8 -4.657 2.426 3.212 57 H VAL 9 H VAL 9 -4.195 0.048 1.856 58 HA VAL 9 HA VAL 9 -1.542 -0.675 2.715 59 HB VAL 9 HB VAL 9 -3.558 -2.014 0.873 60 HG11 VAL 9 HG11 VAL 9 -2.212 -4.086 1.855 61 HG12 VAL 9 HG12 VAL 9 -0.916 -2.897 1.978 62 HG13 VAL 9 HG13 VAL 9 -1.647 -3.245 0.411 63 HG21 VAL 9 HG21 VAL 9 -4.666 -2.589 2.755 64 HG22 VAL 9 HG22 VAL 9 -3.622 -1.479 3.641 65 HG23 VAL 9 HG23 VAL 9 -3.185 -3.182 3.505 66 H LEU 10 H LEU 10 -2.917 0.214 -0.445 67 HA LEU 10 HA LEU 10 -0.744 -0.493 -2.140 68 HB2 LEU 10 HB2 LEU 10 -3.136 1.193 -2.157 69 HB3 LEU 10 HB3 LEU 10 -1.838 1.901 -3.115 70 HG LEU 10 HG LEU 10 -3.247 0.414 -4.490 71 HD11 LEU 10 HD11 LEU 10 -0.595 -0.958 -4.036 72 HD12 LEU 10 HD12 LEU 10 -0.705 0.631 -4.792 73 HD13 LEU 10 HD13 LEU 10 -1.477 -0.762 -5.549 74 HD21 LEU 10 HD21 LEU 10 -2.359 -1.695 -2.496 75 HD22 LEU 10 HD22 LEU 10 -3.160 -2.049 -4.027 76 HD23 LEU 10 HD23 LEU 10 -4.009 -1.140 -2.777 77 H ALA 11 H ALA 11 -1.346 2.506 -0.284 78 HA ALA 11 HA ALA 11 1.089 3.840 -1.141 79 HB1 ALA 11 HB1 ALA 11 -0.648 4.250 1.320 80 HB2 ALA 11 HB2 ALA 11 -0.998 4.930 -0.270 81 HB3 ALA 11 HB3 ALA 11 0.447 5.436 0.606 82 H ALA 12 H ALA 12 0.179 1.821 1.654 83 HA ALA 12 HA ALA 12 2.567 2.159 3.201 84 HB1 ALA 12 HB1 ALA 12 1.759 0.188 4.351 85 HB2 ALA 12 HB2 ALA 12 0.835 -0.321 2.937 86 HB3 ALA 12 HB3 ALA 12 0.340 1.108 3.847 87 H LEU 13 H LEU 13 1.712 -0.104 0.581 88 HA LEU 13 HA LEU 13 4.159 -1.650 0.681 89 HB2 LEU 13 HB2 LEU 13 1.697 -1.450 -0.855 90 HB3 LEU 13 HB3 LEU 13 3.072 -1.709 -1.925 91 HG LEU 13 HG LEU 13 2.795 -3.369 0.566 92 HD11 LEU 13 HD11 LEU 13 1.464 -5.003 -0.644 93 HD12 LEU 13 HD12 LEU 13 1.500 -4.010 -2.101 94 HD13 LEU 13 HD13 LEU 13 0.616 -3.456 -0.678 95 HD21 LEU 13 HD21 LEU 13 3.871 -4.004 -2.198 96 HD22 LEU 13 HD22 LEU 13 4.091 -4.955 -0.728 97 HD23 LEU 13 HD23 LEU 13 4.865 -3.377 -0.882 98 H ALA 14 H ALA 14 3.161 1.288 -1.079 99 HA ALA 14 HA ALA 14 5.327 1.460 -2.923 100 HB1 ALA 14 HB1 ALA 14 3.828 3.649 -1.433 101 HB2 ALA 14 HB2 ALA 14 3.276 2.865 -2.915 102 HB3 ALA 14 HB3 ALA 14 4.730 3.865 -2.933 103 H ALA 15 H ALA 15 5.028 2.770 0.403 104 HA ALA 15 HA ALA 15 7.761 3.779 0.490 105 HB1 ALA 15 HB1 ALA 15 7.189 4.194 2.834 106 HB2 ALA 15 HB2 ALA 15 5.813 3.096 2.722 107 HB3 ALA 15 HB3 ALA 15 5.805 4.616 1.826 108 H TYR 16 H TYR 16 6.118 0.808 1.621 109 HA TYR 16 HA TYR 16 8.329 -0.337 3.045 110 HB2 TYR 16 HB2 TYR 16 6.139 -1.239 3.341 111 HB3 TYR 16 HB3 TYR 16 5.892 -1.415 1.605 112 HD1 TYR 16 HD1 TYR 16 8.235 -2.569 4.307 113 HD2 TYR 16 HD2 TYR 16 6.200 -3.515 0.644 114 HE1 TYR 16 HE1 TYR 16 9.133 -4.878 4.403 115 HE2 TYR 16 HE2 TYR 16 7.097 -5.824 0.741 116 HH TYR 16 HH TYR 16 8.056 -7.324 3.133 117 H CYS 17 H CYS 17 7.223 -0.795 -0.338 118 HA CYS 17 HA CYS 17 9.333 -2.536 -1.183 119 HB2 CYS 17 HB2 CYS 17 7.135 -1.994 -2.327 120 HB3 CYS 17 HB3 CYS 17 7.837 -0.447 -2.802 121 HG CYS 17 HG CYS 17 9.010 -3.195 -3.746 122 H LEU 18 H LEU 18 9.107 1.005 -0.995 123 HA LEU 18 HA LEU 18 11.453 1.700 -2.471 124 HB2 LEU 18 HB2 LEU 18 9.428 2.929 -0.940 125 HB3 LEU 18 HB3 LEU 18 10.939 3.404 -0.170 126 HG LEU 18 HG LEU 18 11.366 3.586 -2.971 127 HD11 LEU 18 HD11 LEU 18 9.031 3.687 -3.440 128 HD12 LEU 18 HD12 LEU 18 9.577 5.364 -3.435 129 HD13 LEU 18 HD13 LEU 18 8.717 4.711 -2.040 130 HD21 LEU 18 HD21 LEU 18 11.459 6.071 -2.374 131 HD22 LEU 18 HD22 LEU 18 12.500 5.016 -1.419 132 HD23 LEU 18 HD23 LEU 18 10.980 5.601 -0.743 133 H SER 19 H SER 19 10.993 0.830 0.956 134 HA SER 19 HA SER 19 13.782 1.304 1.688 135 HB2 SER 19 HB2 SER 19 11.259 0.332 2.915 136 HB3 SER 19 HB3 SER 19 12.743 -0.257 3.657 137 HG SER 19 HG SER 19 13.351 1.805 4.086 138 H THR 20 H THR 20 11.860 -1.514 0.678 139 HA THR 20 HA THR 20 13.779 -3.544 1.366 140 HB THR 20 HB THR 20 11.580 -3.377 -0.722 141 HG1 THR 20 HG1 THR 20 10.578 -3.365 1.159 142 HG21 THR 20 HG21 THR 20 13.261 -5.702 0.233 143 HG22 THR 20 HG22 THR 20 12.983 -5.169 -1.426 144 HG23 THR 20 HG23 THR 20 11.679 -5.926 -0.513 145 H GLY 21 H GLY 21 13.390 -1.471 -1.493 146 HA2 GLY 21 HA2 GLY 21 15.586 -2.882 -2.895 147 HA3 GLY 21 HA3 GLY 21 14.593 -1.589 -3.570 148 H SER 22 H SER 22 14.846 0.385 -1.640 149 HA SER 22 HA SER 22 16.270 2.140 -0.978 150 HB2 SER 22 HB2 SER 22 17.097 -0.018 0.270 151 HB3 SER 22 HB3 SER 22 18.472 0.088 -0.827 152 HG SER 22 HG SER 22 18.894 2.144 -0.040 Start of MODEL 15 1 HA SER 1 HA SER 1 -16.054 1.471 -0.812 2 HB2 SER 1 HB2 SER 1 -17.522 0.170 -3.131 3 HB3 SER 1 HB3 SER 1 -17.310 -0.545 -1.535 4 HG SER 1 HG SER 1 -19.274 0.470 -1.523 5 H THR 2 H THR 2 -14.769 -0.557 -0.695 6 HA THR 2 HA THR 2 -12.840 -1.821 -1.191 7 HB THR 2 HB THR 2 -13.596 -1.363 -4.082 8 HG1 THR 2 HG1 THR 2 -15.175 -2.944 -3.800 9 HG21 THR 2 HG21 THR 2 -12.950 -3.778 -4.222 10 HG22 THR 2 HG22 THR 2 -12.494 -3.715 -2.520 11 HG23 THR 2 HG23 THR 2 -11.626 -2.735 -3.702 12 H TRP 3 H TRP 3 -12.596 1.161 -1.048 13 HA TRP 3 HA TRP 3 -10.184 1.514 -2.803 14 HB2 TRP 3 HB2 TRP 3 -12.154 2.891 -3.419 15 HB3 TRP 3 HB3 TRP 3 -12.189 3.558 -1.789 16 HD1 TRP 3 HD1 TRP 3 -10.299 3.745 -5.071 17 HE1 TRP 3 HE1 TRP 3 -8.643 5.719 -4.982 18 HE3 TRP 3 HE3 TRP 3 -10.697 5.010 -0.140 19 HZ2 TRP 3 HZ2 TRP 3 -7.621 7.587 -3.070 20 HZ3 TRP 3 HZ3 TRP 3 -9.374 6.888 0.788 21 HH2 TRP 3 HH2 TRP 3 -7.836 8.177 -0.670 22 H VAL 4 H VAL 4 -11.668 2.464 0.325 23 HA VAL 4 HA VAL 4 -9.331 3.695 1.445 24 HB VAL 4 HB VAL 4 -11.764 2.344 2.665 25 HG11 VAL 4 HG11 VAL 4 -9.603 4.061 3.916 26 HG12 VAL 4 HG12 VAL 4 -10.096 2.437 4.394 27 HG13 VAL 4 HG13 VAL 4 -11.178 3.802 4.665 28 HG21 VAL 4 HG21 VAL 4 -11.075 5.243 2.077 29 HG22 VAL 4 HG22 VAL 4 -12.519 4.707 2.937 30 HG23 VAL 4 HG23 VAL 4 -12.289 4.270 1.245 31 H LEU 5 H LEU 5 -10.665 0.392 1.938 32 HA LEU 5 HA LEU 5 -8.516 -0.557 3.590 33 HB2 LEU 5 HB2 LEU 5 -10.809 -1.651 2.041 34 HB3 LEU 5 HB3 LEU 5 -9.528 -2.797 2.433 35 HG LEU 5 HG LEU 5 -9.724 -1.696 4.838 36 HD11 LEU 5 HD11 LEU 5 -12.553 -1.385 3.808 37 HD12 LEU 5 HD12 LEU 5 -11.433 -0.031 3.942 38 HD13 LEU 5 HD13 LEU 5 -11.923 -0.915 5.386 39 HD21 LEU 5 HD21 LEU 5 -11.312 -3.472 5.448 40 HD22 LEU 5 HD22 LEU 5 -10.152 -4.076 4.264 41 HD23 LEU 5 HD23 LEU 5 -11.787 -3.646 3.758 42 H VAL 6 H VAL 6 -8.991 -0.551 0.063 43 HA VAL 6 HA VAL 6 -6.356 -1.914 -0.308 44 HB VAL 6 HB VAL 6 -8.552 -1.199 -2.290 45 HG11 VAL 6 HG11 VAL 6 -7.386 -3.206 -3.488 46 HG12 VAL 6 HG12 VAL 6 -6.024 -2.834 -2.432 47 HG13 VAL 6 HG13 VAL 6 -6.622 -1.620 -3.562 48 HG21 VAL 6 HG21 VAL 6 -8.047 -3.674 -0.620 49 HG22 VAL 6 HG22 VAL 6 -9.010 -3.722 -2.096 50 HG23 VAL 6 HG23 VAL 6 -9.531 -2.726 -0.738 51 H GLY 7 H GLY 7 -6.820 1.017 0.497 52 HA2 GLY 7 HA2 GLY 7 -5.344 2.271 -1.789 53 HA3 GLY 7 HA3 GLY 7 -6.491 3.165 -0.788 54 H GLY 8 H GLY 8 -5.911 2.763 1.727 55 HA2 GLY 8 HA2 GLY 8 -3.468 4.131 2.239 56 HA3 GLY 8 HA3 GLY 8 -4.393 3.245 3.454 57 H VAL 9 H VAL 9 -4.260 0.653 2.389 58 HA VAL 9 HA VAL 9 -1.705 -0.274 3.306 59 HB VAL 9 HB VAL 9 -3.839 -1.550 1.549 60 HG11 VAL 9 HG11 VAL 9 -2.785 -3.663 2.720 61 HG12 VAL 9 HG12 VAL 9 -1.364 -2.630 2.870 62 HG13 VAL 9 HG13 VAL 9 -2.025 -2.994 1.275 63 HG21 VAL 9 HG21 VAL 9 -4.982 -1.227 3.517 64 HG22 VAL 9 HG22 VAL 9 -3.507 -1.101 4.474 65 HG23 VAL 9 HG23 VAL 9 -4.111 -2.685 3.989 66 H LEU 10 H LEU 10 -2.985 0.368 0.040 67 HA LEU 10 HA LEU 10 -0.832 -0.669 -1.510 68 HB2 LEU 10 HB2 LEU 10 -3.230 0.670 -1.909 69 HB3 LEU 10 HB3 LEU 10 -2.037 1.845 -2.460 70 HG LEU 10 HG LEU 10 -1.289 -0.755 -3.429 71 HD11 LEU 10 HD11 LEU 10 -3.643 -1.371 -3.211 72 HD12 LEU 10 HD12 LEU 10 -3.253 -1.144 -4.915 73 HD13 LEU 10 HD13 LEU 10 -4.133 0.107 -4.038 74 HD21 LEU 10 HD21 LEU 10 -2.220 1.839 -4.683 75 HD22 LEU 10 HD22 LEU 10 -1.684 0.460 -5.642 76 HD23 LEU 10 HD23 LEU 10 -0.566 1.247 -4.528 77 H ALA 11 H ALA 11 -1.332 2.585 -0.111 78 HA ALA 11 HA ALA 11 1.122 3.747 -1.068 79 HB1 ALA 11 HB1 ALA 11 -0.529 4.380 1.402 80 HB2 ALA 11 HB2 ALA 11 -0.902 4.954 -0.223 81 HB3 ALA 11 HB3 ALA 11 0.577 5.481 0.581 82 H ALA 12 H ALA 12 0.282 1.954 1.902 83 HA ALA 12 HA ALA 12 2.705 2.377 3.358 84 HB1 ALA 12 HB1 ALA 12 1.026 -0.148 3.293 85 HB2 ALA 12 HB2 ALA 12 0.477 1.333 4.079 86 HB3 ALA 12 HB3 ALA 12 1.926 0.510 4.659 87 H LEU 13 H LEU 13 1.812 -0.039 0.895 88 HA LEU 13 HA LEU 13 4.294 -1.540 1.028 89 HB2 LEU 13 HB2 LEU 13 1.841 -1.993 0.042 90 HB3 LEU 13 HB3 LEU 13 2.600 -1.406 -1.438 91 HG LEU 13 HG LEU 13 4.186 -3.380 0.106 92 HD11 LEU 13 HD11 LEU 13 1.814 -4.215 0.298 93 HD12 LEU 13 HD12 LEU 13 2.884 -5.292 -0.600 94 HD13 LEU 13 HD13 LEU 13 1.746 -4.259 -1.464 95 HD21 LEU 13 HD21 LEU 13 4.956 -2.556 -2.053 96 HD22 LEU 13 HD22 LEU 13 3.427 -3.003 -2.809 97 HD23 LEU 13 HD23 LEU 13 4.520 -4.256 -2.224 98 H ALA 14 H ALA 14 3.146 1.233 -0.896 99 HA ALA 14 HA ALA 14 5.206 1.317 -2.860 100 HB1 ALA 14 HB1 ALA 14 3.859 3.660 -1.474 101 HB2 ALA 14 HB2 ALA 14 3.063 2.671 -2.699 102 HB3 ALA 14 HB3 ALA 14 4.488 3.619 -3.122 103 H ALA 15 H ALA 15 5.089 2.668 0.444 104 HA ALA 15 HA ALA 15 7.783 3.818 0.279 105 HB1 ALA 15 HB1 ALA 15 5.931 4.729 1.677 106 HB2 ALA 15 HB2 ALA 15 7.339 4.317 2.656 107 HB3 ALA 15 HB3 ALA 15 5.940 3.243 2.629 108 H TYR 16 H TYR 16 6.284 0.888 1.675 109 HA TYR 16 HA TYR 16 8.621 -0.115 3.017 110 HB2 TYR 16 HB2 TYR 16 6.449 -0.988 3.547 111 HB3 TYR 16 HB3 TYR 16 6.113 -1.363 1.858 112 HD1 TYR 16 HD1 TYR 16 8.647 -2.142 4.518 113 HD2 TYR 16 HD2 TYR 16 6.426 -3.554 1.123 114 HE1 TYR 16 HE1 TYR 16 9.636 -4.396 4.809 115 HE2 TYR 16 HE2 TYR 16 7.413 -5.810 1.417 116 HH TYR 16 HH TYR 16 8.570 -7.005 3.878 117 H CYS 17 H CYS 17 7.246 -0.853 -0.218 118 HA CYS 17 HA CYS 17 9.235 -2.673 -1.117 119 HB2 CYS 17 HB2 CYS 17 7.024 -2.098 -2.179 120 HB3 CYS 17 HB3 CYS 17 7.728 -0.573 -2.716 121 HG CYS 17 HG CYS 17 7.945 -2.929 -4.342 122 H LEU 18 H LEU 18 9.163 0.885 -1.153 123 HA LEU 18 HA LEU 18 11.510 1.363 -2.716 124 HB2 LEU 18 HB2 LEU 18 9.550 2.828 -1.498 125 HB3 LEU 18 HB3 LEU 18 10.908 3.156 -0.427 126 HG LEU 18 HG LEU 18 12.108 3.427 -2.867 127 HD11 LEU 18 HD11 LEU 18 10.316 5.045 -3.982 128 HD12 LEU 18 HD12 LEU 18 9.178 3.974 -3.164 129 HD13 LEU 18 HD13 LEU 18 10.320 3.317 -4.337 130 HD21 LEU 18 HD21 LEU 18 11.936 4.977 -0.785 131 HD22 LEU 18 HD22 LEU 18 10.585 5.725 -1.638 132 HD23 LEU 18 HD23 LEU 18 12.196 5.730 -2.357 133 H SER 19 H SER 19 11.067 0.942 0.809 134 HA SER 19 HA SER 19 13.806 1.351 1.573 135 HB2 SER 19 HB2 SER 19 11.599 1.247 2.944 136 HB3 SER 19 HB3 SER 19 11.854 -0.497 2.953 137 HG SER 19 HG SER 19 13.066 -0.015 4.622 138 H THR 20 H THR 20 12.009 -1.599 0.640 139 HA THR 20 HA THR 20 14.125 -3.469 1.224 140 HB THR 20 HB THR 20 11.888 -3.650 -0.823 141 HG1 THR 20 HG1 THR 20 10.577 -3.787 0.802 142 HG21 THR 20 HG21 THR 20 13.725 -5.430 -0.761 143 HG22 THR 20 HG22 THR 20 12.072 -6.012 -0.565 144 HG23 THR 20 HG23 THR 20 13.122 -5.850 0.843 145 H GLY 21 H GLY 21 13.342 -1.519 -1.644 146 HA2 GLY 21 HA2 GLY 21 15.125 -2.838 -3.468 147 HA3 GLY 21 HA3 GLY 21 14.512 -1.195 -3.653 148 H SER 22 H SER 22 15.572 -0.175 -1.161 149 HA SER 22 HA SER 22 18.354 0.289 -2.013 150 HB2 SER 22 HB2 SER 22 16.367 1.430 -0.097 151 HB3 SER 22 HB3 SER 22 18.070 1.716 0.244 152 HG SER 22 HG SER 22 18.285 2.681 -1.747 Start of MODEL 16 1 HA SER 1 HA SER 1 -16.369 1.073 0.523 2 HB2 SER 1 HB2 SER 1 -18.177 -1.054 -0.675 3 HB3 SER 1 HB3 SER 1 -17.504 -1.088 0.951 4 HG SER 1 HG SER 1 -19.526 -0.203 1.108 5 H THR 2 H THR 2 -15.104 -1.078 0.965 6 HA THR 2 HA THR 2 -13.270 -2.456 0.425 7 HB THR 2 HB THR 2 -14.444 -2.534 -2.359 8 HG1 THR 2 HG1 THR 2 -16.075 -3.751 -1.633 9 HG21 THR 2 HG21 THR 2 -12.322 -3.823 -1.498 10 HG22 THR 2 HG22 THR 2 -13.523 -4.673 -2.471 11 HG23 THR 2 HG23 THR 2 -13.511 -4.869 -0.719 12 H TRP 3 H TRP 3 -13.086 0.513 -0.068 13 HA TRP 3 HA TRP 3 -10.939 0.486 -2.168 14 HB2 TRP 3 HB2 TRP 3 -13.328 1.977 -1.952 15 HB3 TRP 3 HB3 TRP 3 -12.031 3.102 -1.550 16 HD1 TRP 3 HD1 TRP 3 -10.822 4.152 -3.523 17 HE1 TRP 3 HE1 TRP 3 -10.605 3.638 -6.041 18 HE3 TRP 3 HE3 TRP 3 -13.348 -0.282 -3.740 19 HZ2 TRP 3 HZ2 TRP 3 -11.396 1.614 -7.899 20 HZ3 TRP 3 HZ3 TRP 3 -13.600 -1.481 -5.895 21 HH2 TRP 3 HH2 TRP 3 -12.629 -0.539 -7.972 22 H VAL 4 H VAL 4 -11.975 1.971 0.927 23 HA VAL 4 HA VAL 4 -9.597 3.422 1.499 24 HB VAL 4 HB VAL 4 -11.843 3.556 2.633 25 HG11 VAL 4 HG11 VAL 4 -10.898 1.129 4.182 26 HG12 VAL 4 HG12 VAL 4 -12.071 1.040 2.869 27 HG13 VAL 4 HG13 VAL 4 -12.448 1.957 4.326 28 HG21 VAL 4 HG21 VAL 4 -9.802 4.564 3.631 29 HG22 VAL 4 HG22 VAL 4 -9.492 3.054 4.488 30 HG23 VAL 4 HG23 VAL 4 -10.928 4.004 4.868 31 H LEU 5 H LEU 5 -10.372 -0.011 1.989 32 HA LEU 5 HA LEU 5 -8.017 -0.587 3.609 33 HB2 LEU 5 HB2 LEU 5 -10.250 -1.831 3.500 34 HB3 LEU 5 HB3 LEU 5 -9.706 -2.486 1.957 35 HG LEU 5 HG LEU 5 -7.623 -3.304 3.155 36 HD11 LEU 5 HD11 LEU 5 -8.032 -3.584 5.685 37 HD12 LEU 5 HD12 LEU 5 -9.257 -2.328 5.503 38 HD13 LEU 5 HD13 LEU 5 -7.571 -1.977 5.125 39 HD21 LEU 5 HD21 LEU 5 -8.847 -5.209 4.265 40 HD22 LEU 5 HD22 LEU 5 -9.397 -4.870 2.624 41 HD23 LEU 5 HD23 LEU 5 -10.352 -4.325 4.003 42 H VAL 6 H VAL 6 -8.808 -0.696 0.149 43 HA VAL 6 HA VAL 6 -6.167 -1.888 -0.506 44 HB VAL 6 HB VAL 6 -8.452 -0.995 -2.303 45 HG11 VAL 6 HG11 VAL 6 -6.024 -2.755 -2.665 46 HG12 VAL 6 HG12 VAL 6 -6.528 -1.373 -3.637 47 HG13 VAL 6 HG13 VAL 6 -7.426 -2.888 -3.727 48 HG21 VAL 6 HG21 VAL 6 -8.773 -3.642 -2.231 49 HG22 VAL 6 HG22 VAL 6 -9.540 -2.602 -1.031 50 HG23 VAL 6 HG23 VAL 6 -8.045 -3.452 -0.635 51 H GLY 7 H GLY 7 -6.845 1.065 0.465 52 HA2 GLY 7 HA2 GLY 7 -5.370 2.457 -1.734 53 HA3 GLY 7 HA3 GLY 7 -6.506 3.265 -0.651 54 H GLY 8 H GLY 8 -5.801 2.461 1.831 55 HA2 GLY 8 HA2 GLY 8 -3.442 3.960 2.419 56 HA3 GLY 8 HA3 GLY 8 -4.253 2.871 3.546 57 H VAL 9 H VAL 9 -3.992 0.424 2.278 58 HA VAL 9 HA VAL 9 -1.315 -0.375 2.919 59 HB VAL 9 HB VAL 9 -3.502 -1.652 1.231 60 HG11 VAL 9 HG11 VAL 9 -0.822 -2.639 2.158 61 HG12 VAL 9 HG12 VAL 9 -1.647 -2.922 0.626 62 HG13 VAL 9 HG13 VAL 9 -2.170 -3.773 2.079 63 HG21 VAL 9 HG21 VAL 9 -3.286 -3.016 3.629 64 HG22 VAL 9 HG22 VAL 9 -4.488 -1.776 3.275 65 HG23 VAL 9 HG23 VAL 9 -3.000 -1.344 4.115 66 H LEU 10 H LEU 10 -2.852 0.572 -0.138 67 HA LEU 10 HA LEU 10 -0.826 -0.232 -1.970 68 HB2 LEU 10 HB2 LEU 10 -3.249 1.221 -1.939 69 HB3 LEU 10 HB3 LEU 10 -2.057 2.320 -2.630 70 HG LEU 10 HG LEU 10 -1.358 0.456 -4.183 71 HD11 LEU 10 HD11 LEU 10 -2.490 -1.565 -4.261 72 HD12 LEU 10 HD12 LEU 10 -3.967 -0.886 -3.579 73 HD13 LEU 10 HD13 LEU 10 -2.589 -1.231 -2.534 74 HD21 LEU 10 HD21 LEU 10 -3.314 0.720 -5.667 75 HD22 LEU 10 HD22 LEU 10 -2.904 2.253 -4.897 76 HD23 LEU 10 HD23 LEU 10 -4.270 1.307 -4.307 77 H ALA 11 H ALA 11 -1.232 2.841 -0.169 78 HA ALA 11 HA ALA 11 1.252 4.001 -1.170 79 HB1 ALA 11 HB1 ALA 11 -0.506 4.672 1.217 80 HB2 ALA 11 HB2 ALA 11 -0.722 5.306 -0.415 81 HB3 ALA 11 HB3 ALA 11 0.715 5.733 0.516 82 H ALA 12 H ALA 12 0.259 2.244 1.773 83 HA ALA 12 HA ALA 12 2.663 2.590 3.290 84 HB1 ALA 12 HB1 ALA 12 1.797 0.650 4.528 85 HB2 ALA 12 HB2 ALA 12 0.733 0.244 3.181 86 HB3 ALA 12 HB3 ALA 12 0.463 1.722 4.104 87 H LEU 13 H LEU 13 1.704 0.151 0.868 88 HA LEU 13 HA LEU 13 4.130 -1.432 1.099 89 HB2 LEU 13 HB2 LEU 13 1.779 -2.043 0.205 90 HB3 LEU 13 HB3 LEU 13 2.277 -1.244 -1.286 91 HG LEU 13 HG LEU 13 4.390 -2.762 -1.120 92 HD11 LEU 13 HD11 LEU 13 2.456 -4.074 0.798 93 HD12 LEU 13 HD12 LEU 13 4.156 -3.684 1.060 94 HD13 LEU 13 HD13 LEU 13 3.709 -4.994 -0.034 95 HD21 LEU 13 HD21 LEU 13 2.332 -2.906 -2.703 96 HD22 LEU 13 HD22 LEU 13 1.813 -4.234 -1.665 97 HD23 LEU 13 HD23 LEU 13 3.344 -4.339 -2.532 98 H ALA 14 H ALA 14 3.118 1.318 -0.932 99 HA ALA 14 HA ALA 14 5.203 1.224 -2.876 100 HB1 ALA 14 HB1 ALA 14 3.882 3.642 -1.589 101 HB2 ALA 14 HB2 ALA 14 3.158 2.680 -2.878 102 HB3 ALA 14 HB3 ALA 14 4.637 3.592 -3.181 103 H ALA 15 H ALA 15 5.087 2.787 0.339 104 HA ALA 15 HA ALA 15 7.836 3.775 0.198 105 HB1 ALA 15 HB1 ALA 15 5.807 3.425 2.434 106 HB2 ALA 15 HB2 ALA 15 6.126 4.902 1.523 107 HB3 ALA 15 HB3 ALA 15 7.347 4.264 2.626 108 H TYR 16 H TYR 16 6.181 0.980 1.696 109 HA TYR 16 HA TYR 16 8.437 -0.074 3.129 110 HB2 TYR 16 HB2 TYR 16 6.069 -0.715 3.472 111 HB3 TYR 16 HB3 TYR 16 6.032 -1.441 1.866 112 HD1 TYR 16 HD2 TYR 16 7.892 -1.598 5.115 113 HD2 TYR 16 HD1 TYR 16 6.634 -3.690 1.580 114 HE1 TYR 16 HE2 TYR 16 8.791 -3.712 6.045 115 HE2 TYR 16 HE1 TYR 16 7.533 -5.804 2.512 116 HH TYR 16 HH TYR 16 9.656 -6.114 4.651 117 H CYS 17 H CYS 17 7.138 -0.823 -0.128 118 HA CYS 17 HA CYS 17 9.127 -2.747 -0.879 119 HB2 CYS 17 HB2 CYS 17 6.892 -2.236 -1.964 120 HB3 CYS 17 HB3 CYS 17 7.624 -0.782 -2.640 121 HG CYS 17 HG CYS 17 8.531 -3.685 -3.374 122 H LEU 18 H LEU 18 9.043 0.802 -1.059 123 HA LEU 18 HA LEU 18 11.331 1.232 -2.719 124 HB2 LEU 18 HB2 LEU 18 9.428 2.715 -1.310 125 HB3 LEU 18 HB3 LEU 18 10.949 3.159 -0.542 126 HG LEU 18 HG LEU 18 11.735 3.290 -3.111 127 HD11 LEU 18 HD11 LEU 18 8.767 3.918 -3.119 128 HD12 LEU 18 HD12 LEU 18 9.578 2.659 -4.050 129 HD13 LEU 18 HD13 LEU 18 9.880 4.357 -4.414 130 HD21 LEU 18 HD21 LEU 18 10.351 5.326 -1.367 131 HD22 LEU 18 HD22 LEU 18 10.967 5.774 -2.958 132 HD23 LEU 18 HD23 LEU 18 12.071 5.168 -1.723 133 H SER 19 H SER 19 11.033 0.972 0.839 134 HA SER 19 HA SER 19 13.828 1.337 1.431 135 HB2 SER 19 HB2 SER 19 11.364 0.329 2.788 136 HB3 SER 19 HB3 SER 19 12.912 -0.060 3.533 137 HG SER 19 HG SER 19 11.766 2.052 4.032 138 H THR 20 H THR 20 11.876 -1.535 0.653 139 HA THR 20 HA THR 20 13.844 -3.523 1.343 140 HB THR 20 HB THR 20 11.559 -3.485 -0.662 141 HG1 THR 20 HG1 THR 20 10.557 -3.393 1.194 142 HG21 THR 20 HG21 THR 20 11.746 -6.062 -0.019 143 HG22 THR 20 HG22 THR 20 13.437 -5.632 0.233 144 HG23 THR 20 HG23 THR 20 12.689 -5.380 -1.344 145 H GLY 21 H GLY 21 13.259 -1.603 -1.590 146 HA2 GLY 21 HA2 GLY 21 15.103 -3.062 -3.274 147 HA3 GLY 21 HA3 GLY 21 14.468 -1.450 -3.601 148 H SER 22 H SER 22 15.400 -0.245 -1.133 149 HA SER 22 HA SER 22 18.146 0.363 -1.919 150 HB2 SER 22 HB2 SER 22 16.175 1.218 0.179 151 HB3 SER 22 HB3 SER 22 17.866 1.672 0.366 152 HG SER 22 HG SER 22 16.250 3.033 -0.951 Start of MODEL 17 1 HA SER 1 HA SER 1 -14.747 1.745 4.320 2 HB2 SER 1 HB2 SER 1 -13.522 4.087 4.565 3 HB3 SER 1 HB3 SER 1 -12.725 3.588 3.075 4 HG SER 1 HG SER 1 -15.133 4.620 3.360 5 H THR 2 H THR 2 -14.917 0.884 2.160 6 HA THR 2 HA THR 2 -13.149 -1.218 1.452 7 HB THR 2 HB THR 2 -14.925 0.361 -0.426 8 HG1 THR 2 HG1 THR 2 -15.662 -1.687 1.398 9 HG21 THR 2 HG21 THR 2 -13.631 -1.401 -1.496 10 HG22 THR 2 HG22 THR 2 -15.317 -1.912 -1.388 11 HG23 THR 2 HG23 THR 2 -14.125 -2.557 -0.259 12 H TRP 3 H TRP 3 -13.222 2.155 0.372 13 HA TRP 3 HA TRP 3 -11.219 1.896 -1.698 14 HB2 TRP 3 HB2 TRP 3 -12.515 4.105 -0.116 15 HB3 TRP 3 HB3 TRP 3 -11.126 4.482 -1.135 16 HD1 TRP 3 HD1 TRP 3 -11.462 4.511 -3.709 17 HE1 TRP 3 HE1 TRP 3 -13.515 4.250 -5.247 18 HE3 TRP 3 HE3 TRP 3 -14.898 2.821 -0.325 19 HZ2 TRP 3 HZ2 TRP 3 -16.249 3.432 -5.067 20 HZ3 TRP 3 HZ3 TRP 3 -17.214 2.310 -1.036 21 HH2 TRP 3 HH2 TRP 3 -17.894 2.614 -3.401 22 H VAL 4 H VAL 4 -11.083 2.844 1.746 23 HA VAL 4 HA VAL 4 -8.265 3.449 1.811 24 HB VAL 4 HB VAL 4 -10.244 2.564 3.941 25 HG11 VAL 4 HG11 VAL 4 -8.488 3.967 5.349 26 HG12 VAL 4 HG12 VAL 4 -7.386 3.461 4.068 27 HG13 VAL 4 HG13 VAL 4 -8.223 2.251 5.041 28 HG21 VAL 4 HG21 VAL 4 -10.809 4.669 2.722 29 HG22 VAL 4 HG22 VAL 4 -9.234 5.322 3.170 30 HG23 VAL 4 HG23 VAL 4 -10.426 4.962 4.418 31 H LEU 5 H LEU 5 -10.115 0.449 2.129 32 HA LEU 5 HA LEU 5 -8.163 -1.250 3.305 33 HB2 LEU 5 HB2 LEU 5 -10.668 -1.422 1.813 34 HB3 LEU 5 HB3 LEU 5 -9.596 -2.768 1.435 35 HG LEU 5 HG LEU 5 -11.054 -3.301 3.355 36 HD11 LEU 5 HD11 LEU 5 -9.327 -4.109 4.836 37 HD12 LEU 5 HD12 LEU 5 -8.195 -2.881 4.268 38 HD13 LEU 5 HD13 LEU 5 -8.697 -4.183 3.190 39 HD21 LEU 5 HD21 LEU 5 -11.453 -1.826 5.017 40 HD22 LEU 5 HD22 LEU 5 -10.573 -0.631 4.065 41 HD23 LEU 5 HD23 LEU 5 -9.729 -1.576 5.290 42 H VAL 6 H VAL 6 -8.615 -0.271 -0.097 43 HA VAL 6 HA VAL 6 -6.117 -1.774 -0.811 44 HB VAL 6 HB VAL 6 -8.441 -0.781 -2.505 45 HG11 VAL 6 HG11 VAL 6 -7.353 -2.467 -4.149 46 HG12 VAL 6 HG12 VAL 6 -5.912 -2.299 -3.145 47 HG13 VAL 6 HG13 VAL 6 -6.587 -0.890 -3.964 48 HG21 VAL 6 HG21 VAL 6 -9.169 -2.600 -1.088 49 HG22 VAL 6 HG22 VAL 6 -7.704 -3.520 -1.428 50 HG23 VAL 6 HG23 VAL 6 -8.899 -3.263 -2.700 51 H GLY 7 H GLY 7 -6.878 1.233 0.146 52 HA2 GLY 7 HA2 GLY 7 -5.201 2.594 -1.922 53 HA3 GLY 7 HA3 GLY 7 -6.388 3.419 -0.908 54 H GLY 8 H GLY 8 -5.904 2.759 1.596 55 HA2 GLY 8 HA2 GLY 8 -3.478 4.097 2.301 56 HA3 GLY 8 HA3 GLY 8 -4.475 3.158 3.414 57 H VAL 9 H VAL 9 -4.334 0.618 2.340 58 HA VAL 9 HA VAL 9 -1.800 -0.358 3.254 59 HB VAL 9 HB VAL 9 -3.910 -1.583 1.433 60 HG11 VAL 9 HG11 VAL 9 -1.483 -2.703 2.807 61 HG12 VAL 9 HG12 VAL 9 -2.103 -3.041 1.191 62 HG13 VAL 9 HG13 VAL 9 -2.910 -3.720 2.605 63 HG21 VAL 9 HG21 VAL 9 -5.146 -1.403 3.335 64 HG22 VAL 9 HG22 VAL 9 -3.729 -1.059 4.328 65 HG23 VAL 9 HG23 VAL 9 -4.144 -2.727 3.931 66 H LEU 10 H LEU 10 -3.021 0.380 -0.017 67 HA LEU 10 HA LEU 10 -0.846 -0.654 -1.544 68 HB2 LEU 10 HB2 LEU 10 -3.223 0.720 -1.968 69 HB3 LEU 10 HB3 LEU 10 -2.002 1.881 -2.485 70 HG LEU 10 HG LEU 10 -1.963 -1.002 -3.394 71 HD11 LEU 10 HD11 LEU 10 -3.562 1.325 -4.380 72 HD12 LEU 10 HD12 LEU 10 -3.968 -0.392 -4.369 73 HD13 LEU 10 HD13 LEU 10 -2.852 0.243 -5.578 74 HD21 LEU 10 HD21 LEU 10 0.116 0.372 -3.593 75 HD22 LEU 10 HD22 LEU 10 -0.781 1.539 -4.563 76 HD23 LEU 10 HD23 LEU 10 -0.532 -0.100 -5.163 77 H ALA 11 H ALA 11 -1.355 2.580 -0.101 78 HA ALA 11 HA ALA 11 1.112 3.756 -0.986 79 HB1 ALA 11 HB1 ALA 11 0.581 5.411 0.770 80 HB2 ALA 11 HB2 ALA 11 -0.578 4.290 1.484 81 HB3 ALA 11 HB3 ALA 11 -0.878 4.969 -0.116 82 H ALA 12 H ALA 12 0.258 1.858 1.916 83 HA ALA 12 HA ALA 12 2.681 2.213 3.389 84 HB1 ALA 12 HB1 ALA 12 0.441 1.140 4.050 85 HB2 ALA 12 HB2 ALA 12 1.889 0.311 4.622 86 HB3 ALA 12 HB3 ALA 12 1.011 -0.312 3.226 87 H LEU 13 H LEU 13 1.776 -0.143 0.868 88 HA LEU 13 HA LEU 13 4.267 -1.628 0.926 89 HB2 LEU 13 HB2 LEU 13 1.759 -1.465 -0.628 90 HB3 LEU 13 HB3 LEU 13 3.154 -1.987 -1.571 91 HG LEU 13 HG LEU 13 3.602 -3.565 0.486 92 HD11 LEU 13 HD11 LEU 13 1.602 -4.238 1.672 93 HD12 LEU 13 HD12 LEU 13 0.603 -3.169 0.689 94 HD13 LEU 13 HD13 LEU 13 1.762 -2.489 1.831 95 HD21 LEU 13 HD21 LEU 13 3.056 -4.352 -1.777 96 HD22 LEU 13 HD22 LEU 13 1.346 -4.031 -1.493 97 HD23 LEU 13 HD23 LEU 13 2.169 -5.295 -0.581 98 H ALA 14 H ALA 14 3.062 1.147 -0.971 99 HA ALA 14 HA ALA 14 5.115 1.322 -2.921 100 HB1 ALA 14 HB1 ALA 14 4.416 3.672 -3.043 101 HB2 ALA 14 HB2 ALA 14 3.689 3.560 -1.440 102 HB3 ALA 14 HB3 ALA 14 2.999 2.655 -2.787 103 H ALA 15 H ALA 15 5.038 2.484 0.448 104 HA ALA 15 HA ALA 15 7.691 3.726 0.294 105 HB1 ALA 15 HB1 ALA 15 6.046 2.957 2.723 106 HB2 ALA 15 HB2 ALA 15 5.719 4.401 1.765 107 HB3 ALA 15 HB3 ALA 15 7.257 4.233 2.612 108 H TYR 16 H TYR 16 6.300 0.713 1.637 109 HA TYR 16 HA TYR 16 8.716 -0.282 2.842 110 HB2 TYR 16 HB2 TYR 16 6.144 -0.968 2.941 111 HB3 TYR 16 HB3 TYR 16 6.623 -2.082 1.660 112 HD1 TYR 16 HD1 TYR 16 7.086 -1.156 5.199 113 HD2 TYR 16 HD2 TYR 16 8.185 -3.905 2.085 114 HE1 TYR 16 HE1 TYR 16 8.073 -2.677 6.889 115 HE2 TYR 16 HE2 TYR 16 9.172 -5.425 3.777 116 HH TYR 16 HH TYR 16 8.531 -5.547 6.734 117 H CYS 17 H CYS 17 7.233 -0.851 -0.374 118 HA CYS 17 HA CYS 17 9.180 -2.681 -1.386 119 HB2 CYS 17 HB2 CYS 17 6.931 -2.093 -2.352 120 HB3 CYS 17 HB3 CYS 17 7.603 -0.546 -2.866 121 HG CYS 17 HG CYS 17 8.429 -3.316 -4.038 122 H LEU 18 H LEU 18 9.135 0.870 -1.244 123 HA LEU 18 HA LEU 18 11.489 1.285 -2.894 124 HB2 LEU 18 HB2 LEU 18 9.478 2.824 -2.065 125 HB3 LEU 18 HB3 LEU 18 10.594 3.183 -0.750 126 HG LEU 18 HG LEU 18 11.740 3.261 -3.492 127 HD11 LEU 18 HD11 LEU 18 9.951 5.484 -2.464 128 HD12 LEU 18 HD12 LEU 18 9.487 4.350 -3.732 129 HD13 LEU 18 HD13 LEU 18 10.835 5.458 -3.990 130 HD21 LEU 18 HD21 LEU 18 12.797 5.320 -2.461 131 HD22 LEU 18 HD22 LEU 18 13.141 3.817 -1.605 132 HD23 LEU 18 HD23 LEU 18 11.934 4.937 -0.973 133 H SER 19 H SER 19 10.953 1.474 0.652 134 HA SER 19 HA SER 19 13.684 1.879 1.392 135 HB2 SER 19 HB2 SER 19 12.856 1.161 3.622 136 HB3 SER 19 HB3 SER 19 11.734 2.272 2.846 137 HG SER 19 HG SER 19 11.501 -0.453 3.384 138 H THR 20 H THR 20 11.795 -1.135 1.027 139 HA THR 20 HA THR 20 13.997 -2.869 1.840 140 HB THR 20 HB THR 20 11.471 -3.496 0.274 141 HG1 THR 20 HG1 THR 20 10.594 -2.728 2.035 142 HG21 THR 20 HG21 THR 20 11.701 -5.707 1.332 143 HG22 THR 20 HG22 THR 20 13.176 -5.173 2.139 144 HG23 THR 20 HG23 THR 20 13.134 -5.318 0.381 145 H GLY 21 H GLY 21 12.936 -1.437 -1.192 146 HA2 GLY 21 HA2 GLY 21 14.194 -3.263 -3.003 147 HA3 GLY 21 HA3 GLY 21 13.797 -1.583 -3.365 148 H SER 22 H SER 22 15.387 -0.373 -1.298 149 HA SER 22 HA SER 22 18.070 -0.683 -2.534 150 HB2 SER 22 HB2 SER 22 16.618 1.344 -0.850 151 HB3 SER 22 HB3 SER 22 18.377 1.396 -0.937 152 HG SER 22 HG SER 22 18.237 1.638 -3.147 Start of MODEL 18 1 HA SER 1 HA SER 1 -16.082 0.652 2.539 2 HB2 SER 1 HB2 SER 1 -14.132 1.359 4.749 3 HB3 SER 1 HB3 SER 1 -14.025 2.033 3.125 4 HG SER 1 HG SER 1 -15.322 3.450 4.068 5 H THR 2 H THR 2 -15.116 -0.486 0.904 6 HA THR 2 HA THR 2 -12.788 -2.252 1.585 7 HB THR 2 HB THR 2 -14.702 -2.539 -0.743 8 HG1 THR 2 HG1 THR 2 -15.950 -3.817 0.556 9 HG21 THR 2 HG21 THR 2 -12.716 -3.872 -0.971 10 HG22 THR 2 HG22 THR 2 -14.004 -4.957 -0.448 11 HG23 THR 2 HG23 THR 2 -12.802 -4.392 0.712 12 H TRP 3 H TRP 3 -13.339 0.685 0.210 13 HA TRP 3 HA TRP 3 -11.435 0.263 -2.060 14 HB2 TRP 3 HB2 TRP 3 -13.631 1.273 -2.566 15 HB3 TRP 3 HB3 TRP 3 -13.332 2.537 -1.373 16 HD1 TRP 3 HD1 TRP 3 -12.797 4.677 -2.636 17 HE1 TRP 3 HE1 TRP 3 -11.270 5.322 -4.610 18 HE3 TRP 3 HE3 TRP 3 -11.088 0.055 -3.982 19 HZ2 TRP 3 HZ2 TRP 3 -9.551 4.048 -6.508 20 HZ3 TRP 3 HZ3 TRP 3 -9.509 -0.200 -5.873 21 HH2 TRP 3 HH2 TRP 3 -8.739 1.790 -7.136 22 H VAL 4 H VAL 4 -12.123 2.575 0.599 23 HA VAL 4 HA VAL 4 -9.656 4.028 0.414 24 HB VAL 4 HB VAL 4 -11.430 3.500 2.828 25 HG11 VAL 4 HG11 VAL 4 -9.652 5.864 2.151 26 HG12 VAL 4 HG12 VAL 4 -9.233 4.592 3.299 27 HG13 VAL 4 HG13 VAL 4 -10.601 5.657 3.623 28 HG21 VAL 4 HG21 VAL 4 -12.967 4.375 1.326 29 HG22 VAL 4 HG22 VAL 4 -11.735 5.241 0.409 30 HG23 VAL 4 HG23 VAL 4 -12.286 5.873 1.960 31 H LEU 5 H LEU 5 -10.593 1.152 2.300 32 HA LEU 5 HA LEU 5 -8.229 0.892 3.885 33 HB2 LEU 5 HB2 LEU 5 -10.518 -0.772 2.973 34 HB3 LEU 5 HB3 LEU 5 -9.097 -1.666 3.511 35 HG LEU 5 HG LEU 5 -9.113 -0.218 5.600 36 HD11 LEU 5 HD11 LEU 5 -11.380 0.794 6.108 37 HD12 LEU 5 HD12 LEU 5 -11.790 0.558 4.410 38 HD13 LEU 5 HD13 LEU 5 -10.466 1.634 4.856 39 HD21 LEU 5 HD21 LEU 5 -10.018 -2.557 5.484 40 HD22 LEU 5 HD22 LEU 5 -11.607 -1.881 5.124 41 HD23 LEU 5 HD23 LEU 5 -10.841 -1.554 6.679 42 H VAL 6 H VAL 6 -9.033 -0.396 0.644 43 HA VAL 6 HA VAL 6 -6.613 -1.906 0.276 44 HB VAL 6 HB VAL 6 -8.616 -0.648 -1.627 45 HG11 VAL 6 HG11 VAL 6 -7.662 -2.441 -3.219 46 HG12 VAL 6 HG12 VAL 6 -6.272 -2.487 -2.136 47 HG13 VAL 6 HG13 VAL 6 -6.689 -0.990 -2.971 48 HG21 VAL 6 HG21 VAL 6 -8.251 -3.557 -0.871 49 HG22 VAL 6 HG22 VAL 6 -9.632 -2.812 -1.677 50 HG23 VAL 6 HG23 VAL 6 -9.320 -2.479 0.027 51 H GLY 7 H GLY 7 -7.517 1.427 -0.593 52 HA2 GLY 7 HA2 GLY 7 -5.126 2.086 -2.019 53 HA3 GLY 7 HA3 GLY 7 -6.195 3.257 -1.247 54 H GLY 8 H GLY 8 -5.964 2.313 1.442 55 HA2 GLY 8 HA2 GLY 8 -3.593 3.655 2.305 56 HA3 GLY 8 HA3 GLY 8 -4.595 2.621 3.325 57 H VAL 9 H VAL 9 -4.356 0.162 2.077 58 HA VAL 9 HA VAL 9 -1.806 -0.794 2.995 59 HB VAL 9 HB VAL 9 -3.932 -1.943 1.149 60 HG11 VAL 9 HG11 VAL 9 -2.076 -3.288 0.654 61 HG12 VAL 9 HG12 VAL 9 -2.816 -4.154 2.001 62 HG13 VAL 9 HG13 VAL 9 -1.407 -3.131 2.279 63 HG21 VAL 9 HG21 VAL 9 -3.325 -2.583 4.049 64 HG22 VAL 9 HG22 VAL 9 -4.740 -3.068 3.116 65 HG23 VAL 9 HG23 VAL 9 -4.515 -1.377 3.562 66 H LEU 10 H LEU 10 -3.027 0.057 -0.245 67 HA LEU 10 HA LEU 10 -0.830 -0.834 -1.820 68 HB2 LEU 10 HB2 LEU 10 -3.167 0.891 -2.020 69 HB3 LEU 10 HB3 LEU 10 -1.816 1.572 -2.923 70 HG LEU 10 HG LEU 10 -3.208 0.034 -4.304 71 HD11 LEU 10 HD11 LEU 10 -1.369 -1.151 -5.292 72 HD12 LEU 10 HD12 LEU 10 -0.472 -1.147 -3.773 73 HD13 LEU 10 HD13 LEU 10 -0.718 0.360 -4.657 74 HD21 LEU 10 HD21 LEU 10 -2.114 -2.219 -2.617 75 HD22 LEU 10 HD22 LEU 10 -3.417 -2.269 -3.806 76 HD23 LEU 10 HD23 LEU 10 -3.673 -1.478 -2.251 77 H ALA 11 H ALA 11 -1.351 2.245 -0.086 78 HA ALA 11 HA ALA 11 1.118 3.491 -0.965 79 HB1 ALA 11 HB1 ALA 11 0.527 4.993 1.039 80 HB2 ALA 11 HB2 ALA 11 -0.869 3.942 1.277 81 HB3 ALA 11 HB3 ALA 11 -0.700 4.859 -0.220 82 H ALA 12 H ALA 12 0.179 1.532 1.865 83 HA ALA 12 HA ALA 12 2.518 1.887 3.457 84 HB1 ALA 12 HB1 ALA 12 0.889 -0.650 3.123 85 HB2 ALA 12 HB2 ALA 12 0.294 0.759 4.005 86 HB3 ALA 12 HB3 ALA 12 1.727 -0.098 4.573 87 H LEU 13 H LEU 13 1.816 -0.410 0.815 88 HA LEU 13 HA LEU 13 4.367 -1.802 1.000 89 HB2 LEU 13 HB2 LEU 13 1.927 -2.266 -0.133 90 HB3 LEU 13 HB3 LEU 13 2.847 -1.759 -1.551 91 HG LEU 13 HG LEU 13 4.030 -3.772 0.344 92 HD11 LEU 13 HD11 LEU 13 2.896 -5.578 -0.645 93 HD12 LEU 13 HD12 LEU 13 2.353 -4.610 -2.016 94 HD13 LEU 13 HD13 LEU 13 1.618 -4.384 -0.428 95 HD21 LEU 13 HD21 LEU 13 4.949 -4.559 -1.930 96 HD22 LEU 13 HD22 LEU 13 5.536 -3.005 -1.336 97 HD23 LEU 13 HD23 LEU 13 4.292 -3.059 -2.585 98 H ALA 14 H ALA 14 3.130 0.958 -0.885 99 HA ALA 14 HA ALA 14 5.234 1.191 -2.790 100 HB1 ALA 14 HB1 ALA 14 3.067 2.440 -2.749 101 HB2 ALA 14 HB2 ALA 14 4.450 3.517 -2.939 102 HB3 ALA 14 HB3 ALA 14 3.658 3.369 -1.370 103 H ALA 15 H ALA 15 4.978 2.396 0.556 104 HA ALA 15 HA ALA 15 7.586 3.731 0.500 105 HB1 ALA 15 HB1 ALA 15 5.879 4.596 1.943 106 HB2 ALA 15 HB2 ALA 15 7.049 3.826 3.014 107 HB3 ALA 15 HB3 ALA 15 5.542 3.001 2.615 108 H TYR 16 H TYR 16 6.277 0.643 1.738 109 HA TYR 16 HA TYR 16 8.686 -0.248 3.046 110 HB2 TYR 16 HB2 TYR 16 6.572 -1.259 3.576 111 HB3 TYR 16 HB3 TYR 16 6.246 -1.621 1.881 112 HD1 TYR 16 HD2 TYR 16 8.843 -2.293 4.510 113 HD2 TYR 16 HD1 TYR 16 6.695 -3.773 1.098 114 HE1 TYR 16 HE2 TYR 16 9.975 -4.485 4.749 115 HE2 TYR 16 HE1 TYR 16 7.827 -5.965 1.335 116 HH TYR 16 HH TYR 16 9.039 -7.161 3.706 117 H CYS 17 H CYS 17 7.306 -1.032 -0.180 118 HA CYS 17 HA CYS 17 9.381 -2.696 -1.153 119 HB2 CYS 17 HB2 CYS 17 7.131 -2.191 -2.179 120 HB3 CYS 17 HB3 CYS 17 7.768 -0.629 -2.688 121 HG CYS 17 HG CYS 17 8.866 -3.366 -3.741 122 H LEU 18 H LEU 18 9.120 0.857 -1.126 123 HA LEU 18 HA LEU 18 11.435 1.480 -2.681 124 HB2 LEU 18 HB2 LEU 18 9.421 2.846 -1.523 125 HB3 LEU 18 HB3 LEU 18 10.673 3.152 -0.323 126 HG LEU 18 HG LEU 18 11.438 3.485 -3.185 127 HD11 LEU 18 HD11 LEU 18 9.116 4.552 -2.800 128 HD12 LEU 18 HD12 LEU 18 10.384 5.588 -3.453 129 HD13 LEU 18 HD13 LEU 18 9.958 5.687 -1.745 130 HD21 LEU 18 HD21 LEU 18 12.888 5.150 -2.278 131 HD22 LEU 18 HD22 LEU 18 12.914 3.828 -1.111 132 HD23 LEU 18 HD23 LEU 18 11.946 5.267 -0.793 133 H SER 19 H SER 19 11.032 1.047 0.846 134 HA SER 19 HA SER 19 13.732 1.551 1.631 135 HB2 SER 19 HB2 SER 19 11.575 1.298 3.012 136 HB3 SER 19 HB3 SER 19 11.833 -0.440 2.898 137 HG SER 19 HG SER 19 13.783 -0.190 3.957 138 H THR 20 H THR 20 12.133 -1.458 0.550 139 HA THR 20 HA THR 20 14.320 -3.245 1.097 140 HB THR 20 HB THR 20 12.234 -3.447 -1.098 141 HG1 THR 20 HG1 THR 20 12.026 -4.064 1.666 142 HG21 THR 20 HG21 THR 20 14.143 -5.153 -0.867 143 HG22 THR 20 HG22 THR 20 12.500 -5.794 -0.887 144 HG23 THR 20 HG23 THR 20 13.368 -5.639 0.641 145 H GLY 21 H GLY 21 13.485 -1.265 -1.750 146 HA2 GLY 21 HA2 GLY 21 15.541 -2.347 -3.463 147 HA3 GLY 21 HA3 GLY 21 14.681 -0.830 -3.724 148 H SER 22 H SER 22 15.404 0.422 -1.233 149 HA SER 22 HA SER 22 18.002 1.498 -1.944 150 HB2 SER 22 HB2 SER 22 16.058 1.779 0.349 151 HB3 SER 22 HB3 SER 22 17.612 2.607 0.377 152 HG SER 22 HG SER 22 17.026 3.786 -1.353 Start of MODEL 19 1 HA SER 1 HA SER 1 -15.474 0.552 3.291 2 HB2 SER 1 HB2 SER 1 -12.594 1.487 3.494 3 HB3 SER 1 HB3 SER 1 -13.749 2.115 2.321 4 HG SER 1 HG SER 1 -14.926 2.989 3.941 5 H THR 2 H THR 2 -14.960 0.497 0.871 6 HA THR 2 HA THR 2 -13.711 -2.122 0.199 7 HB THR 2 HB THR 2 -15.363 -0.302 -1.565 8 HG1 THR 2 HG1 THR 2 -17.163 -1.308 -0.746 9 HG21 THR 2 HG21 THR 2 -14.437 -2.056 -2.839 10 HG22 THR 2 HG22 THR 2 -16.044 -2.648 -2.420 11 HG23 THR 2 HG23 THR 2 -14.633 -3.227 -1.535 12 H TRP 3 H TRP 3 -13.402 1.332 -0.427 13 HA TRP 3 HA TRP 3 -11.230 0.849 -2.409 14 HB2 TRP 3 HB2 TRP 3 -12.929 2.418 -3.077 15 HB3 TRP 3 HB3 TRP 3 -12.849 3.258 -1.529 16 HD1 TRP 3 HD1 TRP 3 -10.533 2.498 -4.538 17 HE1 TRP 3 HE1 TRP 3 -8.938 4.499 -4.842 18 HE3 TRP 3 HE3 TRP 3 -11.947 5.366 -0.557 19 HZ2 TRP 3 HZ2 TRP 3 -8.339 6.989 -3.565 20 HZ3 TRP 3 HZ3 TRP 3 -10.849 7.544 -0.124 21 HH2 TRP 3 HH2 TRP 3 -9.048 8.358 -1.621 22 H VAL 4 H VAL 4 -11.825 2.624 0.654 23 HA VAL 4 HA VAL 4 -9.202 3.658 1.034 24 HB VAL 4 HB VAL 4 -11.277 2.725 3.049 25 HG11 VAL 4 HG11 VAL 4 -10.040 4.789 4.253 26 HG12 VAL 4 HG12 VAL 4 -8.691 4.188 3.289 27 HG13 VAL 4 HG13 VAL 4 -9.491 3.124 4.444 28 HG21 VAL 4 HG21 VAL 4 -11.678 5.308 3.033 29 HG22 VAL 4 HG22 VAL 4 -12.349 4.345 1.717 30 HG23 VAL 4 HG23 VAL 4 -10.862 5.260 1.471 31 H LEU 5 H LEU 5 -10.538 0.446 1.770 32 HA LEU 5 HA LEU 5 -8.411 -0.559 3.393 33 HB2 LEU 5 HB2 LEU 5 -10.814 -1.446 2.638 34 HB3 LEU 5 HB3 LEU 5 -9.865 -2.287 1.416 35 HG LEU 5 HG LEU 5 -10.248 -3.635 3.501 36 HD11 LEU 5 HD11 LEU 5 -8.186 -4.639 3.338 37 HD12 LEU 5 HD12 LEU 5 -7.313 -3.110 3.432 38 HD13 LEU 5 HD13 LEU 5 -8.086 -3.592 1.922 39 HD21 LEU 5 HD21 LEU 5 -9.999 -1.506 4.969 40 HD22 LEU 5 HD22 LEU 5 -8.263 -1.793 4.835 41 HD23 LEU 5 HD23 LEU 5 -9.304 -3.011 5.573 42 H VAL 6 H VAL 6 -8.817 -0.426 -0.147 43 HA VAL 6 HA VAL 6 -6.196 -1.762 -0.568 44 HB VAL 6 HB VAL 6 -8.184 -0.653 -2.579 45 HG11 VAL 6 HG11 VAL 6 -5.938 -2.678 -2.703 46 HG12 VAL 6 HG12 VAL 6 -6.101 -1.186 -3.630 47 HG13 VAL 6 HG13 VAL 6 -7.170 -2.549 -3.956 48 HG21 VAL 6 HG21 VAL 6 -8.165 -3.215 -1.000 49 HG22 VAL 6 HG22 VAL 6 -8.812 -3.210 -2.641 50 HG23 VAL 6 HG23 VAL 6 -9.527 -2.171 -1.408 51 H GLY 7 H GLY 7 -6.836 1.219 0.409 52 HA2 GLY 7 HA2 GLY 7 -5.082 2.590 -1.582 53 HA3 GLY 7 HA3 GLY 7 -6.219 3.420 -0.518 54 H GLY 8 H GLY 8 -5.728 2.463 1.949 55 HA2 GLY 8 HA2 GLY 8 -3.310 3.746 2.753 56 HA3 GLY 8 HA3 GLY 8 -4.261 2.661 3.770 57 H VAL 9 H VAL 9 -4.081 0.255 2.455 58 HA VAL 9 HA VAL 9 -1.493 -0.732 3.184 59 HB VAL 9 HB VAL 9 -3.658 -1.821 1.342 60 HG11 VAL 9 HG11 VAL 9 -2.513 -4.042 2.224 61 HG12 VAL 9 HG12 VAL 9 -1.104 -2.994 2.395 62 HG13 VAL 9 HG13 VAL 9 -1.863 -3.202 0.816 63 HG21 VAL 9 HG21 VAL 9 -3.363 -1.562 4.241 64 HG22 VAL 9 HG22 VAL 9 -3.621 -3.235 3.748 65 HG23 VAL 9 HG23 VAL 9 -4.789 -1.993 3.297 66 H LEU 10 H LEU 10 -2.842 0.298 0.050 67 HA LEU 10 HA LEU 10 -0.718 -0.525 -1.660 68 HB2 LEU 10 HB2 LEU 10 -3.127 0.852 -1.834 69 HB3 LEU 10 HB3 LEU 10 -1.941 2.079 -2.274 70 HG LEU 10 HG LEU 10 -1.876 -0.686 -3.488 71 HD11 LEU 10 HD11 LEU 10 -3.008 0.511 -5.471 72 HD12 LEU 10 HD12 LEU 10 -3.493 1.734 -4.297 73 HD13 LEU 10 HD13 LEU 10 -4.038 0.068 -4.111 74 HD21 LEU 10 HD21 LEU 10 -0.904 2.000 -4.514 75 HD22 LEU 10 HD22 LEU 10 -0.557 0.413 -5.199 76 HD23 LEU 10 HD23 LEU 10 0.115 0.862 -3.633 77 H ALA 11 H ALA 11 -1.202 2.529 0.140 78 HA ALA 11 HA ALA 11 1.230 3.812 -0.716 79 HB1 ALA 11 HB1 ALA 11 -0.765 4.911 0.306 80 HB2 ALA 11 HB2 ALA 11 0.721 5.318 1.164 81 HB3 ALA 11 HB3 ALA 11 -0.387 4.124 1.839 82 H ALA 12 H ALA 12 0.456 1.686 2.050 83 HA ALA 12 HA ALA 12 2.923 1.939 3.476 84 HB1 ALA 12 HB1 ALA 12 1.189 -0.536 3.180 85 HB2 ALA 12 HB2 ALA 12 0.726 0.849 4.171 86 HB3 ALA 12 HB3 ALA 12 2.172 -0.080 4.571 87 H LEU 13 H LEU 13 1.951 -0.182 0.783 88 HA LEU 13 HA LEU 13 4.438 -1.692 0.700 89 HB2 LEU 13 HB2 LEU 13 1.949 -2.073 -0.224 90 HB3 LEU 13 HB3 LEU 13 2.644 -1.347 -1.673 91 HG LEU 13 HG LEU 13 4.594 -3.061 -1.264 92 HD11 LEU 13 HD11 LEU 13 2.282 -4.488 0.083 93 HD12 LEU 13 HD12 LEU 13 3.625 -3.758 0.964 94 HD13 LEU 13 HD13 LEU 13 3.921 -5.096 -0.147 95 HD21 LEU 13 HD21 LEU 13 1.841 -3.838 -2.277 96 HD22 LEU 13 HD22 LEU 13 3.310 -4.763 -2.587 97 HD23 LEU 13 HD23 LEU 13 3.149 -3.126 -3.223 98 H ALA 14 H ALA 14 3.201 1.226 -0.932 99 HA ALA 14 HA ALA 14 5.203 1.491 -2.946 100 HB1 ALA 14 HB1 ALA 14 3.787 3.647 -1.336 101 HB2 ALA 14 HB2 ALA 14 3.072 2.793 -2.704 102 HB3 ALA 14 HB3 ALA 14 4.475 3.833 -2.949 103 H ALA 15 H ALA 15 5.156 2.526 0.467 104 HA ALA 15 HA ALA 15 7.804 3.781 0.344 105 HB1 ALA 15 HB1 ALA 15 6.189 4.626 1.906 106 HB2 ALA 15 HB2 ALA 15 7.392 3.780 2.879 107 HB3 ALA 15 HB3 ALA 15 5.845 3.012 2.527 108 H TYR 16 H TYR 16 6.446 0.679 1.500 109 HA TYR 16 HA TYR 16 8.861 -0.360 2.658 110 HB2 TYR 16 HB2 TYR 16 6.438 -1.157 2.890 111 HB3 TYR 16 HB3 TYR 16 6.635 -1.916 1.309 112 HD1 TYR 16 HD2 TYR 16 8.120 -1.765 4.735 113 HD2 TYR 16 HD1 TYR 16 7.690 -4.020 1.104 114 HE1 TYR 16 HE2 TYR 16 9.242 -3.700 5.803 115 HE2 TYR 16 HE1 TYR 16 8.813 -5.954 2.172 116 HH TYR 16 HH TYR 16 10.671 -5.930 4.522 117 H CYS 17 H CYS 17 7.399 -0.809 -0.592 118 HA CYS 17 HA CYS 17 9.452 -2.450 -1.706 119 HB2 CYS 17 HB2 CYS 17 7.162 -1.917 -2.629 120 HB3 CYS 17 HB3 CYS 17 7.771 -0.324 -3.079 121 HG CYS 17 HG CYS 17 8.575 -3.000 -4.426 122 H LEU 18 H LEU 18 9.231 1.073 -1.309 123 HA LEU 18 HA LEU 18 11.586 1.673 -2.930 124 HB2 LEU 18 HB2 LEU 18 9.418 3.024 -1.755 125 HB3 LEU 18 HB3 LEU 18 10.839 3.660 -0.932 126 HG LEU 18 HG LEU 18 10.628 3.439 -3.947 127 HD11 LEU 18 HD11 LEU 18 10.148 5.851 -3.937 128 HD12 LEU 18 HD12 LEU 18 10.145 5.853 -2.173 129 HD13 LEU 18 HD13 LEU 18 8.897 4.973 -3.057 130 HD21 LEU 18 HD21 LEU 18 12.448 5.118 -2.192 131 HD22 LEU 18 HD22 LEU 18 12.555 4.909 -3.939 132 HD23 LEU 18 HD23 LEU 18 12.909 3.556 -2.867 133 H SER 19 H SER 19 10.914 1.334 0.562 134 HA SER 19 HA SER 19 13.648 1.995 1.368 135 HB2 SER 19 HB2 SER 19 11.151 0.924 2.683 136 HB3 SER 19 HB3 SER 19 12.667 1.021 3.576 137 HG SER 19 HG SER 19 12.303 3.071 3.783 138 H THR 20 H THR 20 11.722 -1.038 1.320 139 HA THR 20 HA THR 20 13.955 -2.725 2.082 140 HB THR 20 HB THR 20 11.383 -3.480 0.661 141 HG1 THR 20 HG1 THR 20 11.812 -3.135 3.445 142 HG21 THR 20 HG21 THR 20 13.164 -4.928 2.643 143 HG22 THR 20 HG22 THR 20 12.992 -5.301 0.928 144 HG23 THR 20 HG23 THR 20 11.632 -5.544 2.024 145 H GLY 21 H GLY 21 12.210 -2.333 -1.039 146 HA2 GLY 21 HA2 GLY 21 14.119 -3.917 -2.520 147 HA3 GLY 21 HA3 GLY 21 12.884 -2.874 -3.225 148 H SER 22 H SER 22 13.506 -0.383 -2.448 149 HA SER 22 HA SER 22 14.928 1.434 -2.937 150 HB2 SER 22 HB2 SER 22 16.076 0.166 -1.033 151 HB3 SER 22 HB3 SER 22 17.125 -0.539 -2.259 152 HG SER 22 HG SER 22 17.775 1.551 -2.823 Start of MODEL 20 1 HA SER 1 HA SER 1 -15.912 -0.595 -0.000 2 HB2 SER 1 HB2 SER 1 -15.516 1.444 1.843 3 HB3 SER 1 HB3 SER 1 -13.957 1.342 1.028 4 HG SER 1 HG SER 1 -16.336 2.282 0.122 5 H THR 2 H THR 2 -14.528 -1.735 -1.295 6 HA THR 2 HA THR 2 -12.028 -2.843 -0.204 7 HB THR 2 HB THR 2 -13.135 -3.024 -3.019 8 HG1 THR 2 HG1 THR 2 -13.754 -4.706 -0.822 9 HG21 THR 2 HG21 THR 2 -12.101 -5.355 -2.760 10 HG22 THR 2 HG22 THR 2 -11.318 -4.729 -1.310 11 HG23 THR 2 HG23 THR 2 -10.973 -4.005 -2.880 12 H TRP 3 H TRP 3 -12.615 0.180 -1.265 13 HA TRP 3 HA TRP 3 -10.200 0.401 -3.010 14 HB2 TRP 3 HB2 TRP 3 -12.541 2.227 -2.368 15 HB3 TRP 3 HB3 TRP 3 -11.185 2.715 -3.383 16 HD1 TRP 3 HD1 TRP 3 -10.949 1.588 -5.769 17 HE1 TRP 3 HE1 TRP 3 -12.616 0.280 -7.239 18 HE3 TRP 3 HE3 TRP 3 -14.560 0.555 -2.307 19 HZ2 TRP 3 HZ2 TRP 3 -15.146 -1.032 -6.979 20 HZ3 TRP 3 HZ3 TRP 3 -16.583 -0.723 -2.945 21 HH2 TRP 3 HH2 TRP 3 -16.881 -1.517 -5.274 22 H VAL 4 H VAL 4 -11.702 1.882 -0.117 23 HA VAL 4 HA VAL 4 -9.437 3.543 0.566 24 HB VAL 4 HB VAL 4 -11.767 2.446 2.183 25 HG11 VAL 4 HG11 VAL 4 -9.958 3.253 3.647 26 HG12 VAL 4 HG12 VAL 4 -11.327 4.363 3.693 27 HG13 VAL 4 HG13 VAL 4 -9.894 4.769 2.748 28 HG21 VAL 4 HG21 VAL 4 -12.409 5.002 1.754 29 HG22 VAL 4 HG22 VAL 4 -12.799 3.753 0.572 30 HG23 VAL 4 HG23 VAL 4 -11.379 4.774 0.340 31 H LEU 5 H LEU 5 -10.517 0.308 1.656 32 HA LEU 5 HA LEU 5 -8.551 -0.100 3.692 33 HB2 LEU 5 HB2 LEU 5 -10.385 -1.731 1.996 34 HB3 LEU 5 HB3 LEU 5 -9.080 -2.597 2.808 35 HG LEU 5 HG LEU 5 -10.821 -0.649 4.318 36 HD11 LEU 5 HD11 LEU 5 -11.348 -3.578 3.740 37 HD12 LEU 5 HD12 LEU 5 -12.392 -2.211 3.349 38 HD13 LEU 5 HD13 LEU 5 -12.143 -2.677 5.033 39 HD21 LEU 5 HD21 LEU 5 -8.800 -1.349 5.451 40 HD22 LEU 5 HD22 LEU 5 -9.101 -3.039 5.046 41 HD23 LEU 5 HD23 LEU 5 -10.151 -2.206 6.193 42 H VAL 6 H VAL 6 -8.527 -1.036 0.230 43 HA VAL 6 HA VAL 6 -5.813 -2.093 0.343 44 HB VAL 6 HB VAL 6 -7.692 -1.333 -1.920 45 HG11 VAL 6 HG11 VAL 6 -5.570 -1.325 -2.944 46 HG12 VAL 6 HG12 VAL 6 -6.123 -2.982 -3.185 47 HG13 VAL 6 HG13 VAL 6 -4.962 -2.616 -1.908 48 HG21 VAL 6 HG21 VAL 6 -8.166 -3.274 -0.204 49 HG22 VAL 6 HG22 VAL 6 -6.912 -4.124 -1.107 50 HG23 VAL 6 HG23 VAL 6 -8.372 -3.573 -1.931 51 H GLY 7 H GLY 7 -7.290 1.002 -0.487 52 HA2 GLY 7 HA2 GLY 7 -5.103 2.229 -1.822 53 HA3 GLY 7 HA3 GLY 7 -6.335 3.104 -0.912 54 H GLY 8 H GLY 8 -5.890 2.112 1.669 55 HA2 GLY 8 HA2 GLY 8 -3.676 3.690 2.557 56 HA3 GLY 8 HA3 GLY 8 -4.531 2.504 3.545 57 H VAL 9 H VAL 9 -4.037 0.155 2.145 58 HA VAL 9 HA VAL 9 -1.363 -0.531 2.980 59 HB VAL 9 HB VAL 9 -3.399 -1.879 1.168 60 HG11 VAL 9 HG11 VAL 9 -0.716 -2.760 2.195 61 HG12 VAL 9 HG12 VAL 9 -1.445 -3.027 0.612 62 HG13 VAL 9 HG13 VAL 9 -2.002 -3.953 2.005 63 HG21 VAL 9 HG21 VAL 9 -2.678 -2.262 4.094 64 HG22 VAL 9 HG22 VAL 9 -3.850 -3.232 3.201 65 HG23 VAL 9 HG23 VAL 9 -4.157 -1.519 3.484 66 H LEU 10 H LEU 10 -2.789 0.351 -0.161 67 HA LEU 10 HA LEU 10 -0.609 -0.298 -1.873 68 HB2 LEU 10 HB2 LEU 10 -3.073 1.235 -1.895 69 HB3 LEU 10 HB3 LEU 10 -1.819 2.104 -2.774 70 HG LEU 10 HG LEU 10 -3.132 0.533 -4.219 71 HD11 LEU 10 HD11 LEU 10 -1.222 -0.336 -5.386 72 HD12 LEU 10 HD12 LEU 10 -0.252 -0.348 -3.914 73 HD13 LEU 10 HD13 LEU 10 -0.718 1.185 -4.651 74 HD21 LEU 10 HD21 LEU 10 -3.019 -1.818 -3.917 75 HD22 LEU 10 HD22 LEU 10 -3.317 -1.185 -2.298 76 HD23 LEU 10 HD23 LEU 10 -1.692 -1.690 -2.762 77 H ALA 11 H ALA 11 -1.259 2.644 0.049 78 HA ALA 11 HA ALA 11 1.129 4.056 -0.845 79 HB1 ALA 11 HB1 ALA 11 0.451 5.641 0.885 80 HB2 ALA 11 HB2 ALA 11 -0.579 4.425 1.642 81 HB3 ALA 11 HB3 ALA 11 -0.997 5.071 0.054 82 H ALA 12 H ALA 12 0.267 2.059 1.987 83 HA ALA 12 HA ALA 12 2.678 2.420 3.489 84 HB1 ALA 12 HB1 ALA 12 0.917 -0.046 3.278 85 HB2 ALA 12 HB2 ALA 12 0.482 1.385 4.213 86 HB3 ALA 12 HB3 ALA 12 1.900 0.436 4.661 87 H LEU 13 H LEU 13 1.788 0.118 0.914 88 HA LEU 13 HA LEU 13 4.262 -1.397 1.007 89 HB2 LEU 13 HB2 LEU 13 1.910 -1.972 0.052 90 HB3 LEU 13 HB3 LEU 13 2.432 -1.077 -1.376 91 HG LEU 13 HG LEU 13 4.566 -2.587 -1.228 92 HD11 LEU 13 HD11 LEU 13 2.537 -4.105 0.433 93 HD12 LEU 13 HD12 LEU 13 4.169 -3.628 0.905 94 HD13 LEU 13 HD13 LEU 13 3.933 -4.873 -0.322 95 HD21 LEU 13 HD21 LEU 13 3.022 -2.733 -3.085 96 HD22 LEU 13 HD22 LEU 13 1.832 -3.576 -2.094 97 HD23 LEU 13 HD23 LEU 13 3.343 -4.375 -2.530 98 H ALA 14 H ALA 14 3.170 1.492 -0.770 99 HA ALA 14 HA ALA 14 5.228 1.634 -2.734 100 HB1 ALA 14 HB1 ALA 14 4.609 4.002 -2.804 101 HB2 ALA 14 HB2 ALA 14 3.894 3.892 -1.196 102 HB3 ALA 14 HB3 ALA 14 3.153 3.040 -2.552 103 H ALA 15 H ALA 15 5.137 2.910 0.610 104 HA ALA 15 HA ALA 15 7.869 3.938 0.520 105 HB1 ALA 15 HB1 ALA 15 7.436 4.310 2.928 106 HB2 ALA 15 HB2 ALA 15 5.993 3.301 2.826 107 HB3 ALA 15 HB3 ALA 15 6.057 4.838 1.963 108 H TYR 16 H TYR 16 6.280 0.979 1.724 109 HA TYR 16 HA TYR 16 8.570 -0.171 3.035 110 HB2 TYR 16 HB2 TYR 16 6.353 -0.982 3.489 111 HB3 TYR 16 HB3 TYR 16 6.038 -1.270 1.779 112 HD1 TYR 16 HD2 TYR 16 8.395 -2.286 4.514 113 HD2 TYR 16 HD1 TYR 16 6.379 -3.406 0.891 114 HE1 TYR 16 HE2 TYR 16 9.284 -4.590 4.731 115 HE2 TYR 16 HE1 TYR 16 7.268 -5.709 1.107 116 HH TYR 16 HH TYR 16 9.733 -6.579 2.726 117 H CYS 17 H CYS 17 7.198 -0.697 -0.240 118 HA CYS 17 HA CYS 17 9.174 -2.511 -1.208 119 HB2 CYS 17 HB2 CYS 17 6.930 -1.874 -2.208 120 HB3 CYS 17 HB3 CYS 17 7.674 -0.372 -2.757 121 HG CYS 17 HG CYS 17 9.475 -2.267 -3.897 122 H LEU 18 H LEU 18 9.102 1.041 -1.075 123 HA LEU 18 HA LEU 18 11.386 1.616 -2.690 124 HB2 LEU 18 HB2 LEU 18 9.495 3.010 -1.317 125 HB3 LEU 18 HB3 LEU 18 10.870 3.228 -0.240 126 HG LEU 18 HG LEU 18 11.307 3.632 -3.172 127 HD11 LEU 18 HD11 LEU 18 10.226 5.847 -1.427 128 HD12 LEU 18 HD12 LEU 18 9.158 4.845 -2.410 129 HD13 LEU 18 HD13 LEU 18 10.406 5.823 -3.182 130 HD21 LEU 18 HD21 LEU 18 13.188 3.765 -1.601 131 HD22 LEU 18 HD22 LEU 18 12.323 4.964 -0.639 132 HD23 LEU 18 HD23 LEU 18 12.857 5.361 -2.273 133 H SER 19 H SER 19 11.098 1.018 0.824 134 HA SER 19 HA SER 19 13.941 1.251 1.369 135 HB2 SER 19 HB2 SER 19 11.769 1.396 2.875 136 HB3 SER 19 HB3 SER 19 12.015 -0.340 3.042 137 HG SER 19 HG SER 19 13.380 0.266 4.533 138 H THR 20 H THR 20 11.735 -1.514 0.807 139 HA THR 20 HA THR 20 13.689 -3.584 1.274 140 HB THR 20 HB THR 20 11.135 -3.479 -0.371 141 HG1 THR 20 HG1 THR 20 10.430 -3.284 1.610 142 HG21 THR 20 HG21 THR 20 13.003 -5.710 0.340 143 HG22 THR 20 HG22 THR 20 12.094 -5.442 -1.148 144 HG23 THR 20 HG23 THR 20 11.270 -6.039 0.292 145 H GLY 21 H GLY 21 12.818 -1.675 -1.591 146 HA2 GLY 21 HA2 GLY 21 14.208 -3.281 -3.526 147 HA3 GLY 21 HA3 GLY 21 13.764 -1.588 -3.734 148 H SER 22 H SER 22 15.228 -0.568 -1.459 149 HA SER 22 HA SER 22 17.929 -0.518 -2.648 150 HB2 SER 22 HB2 SER 22 16.261 1.283 -1.359 151 HB3 SER 22 HB3 SER 22 17.445 0.898 -0.114 152 HG SER 22 HG SER 22 17.841 1.973 -2.699 Start of MODEL 21 1 HA SER 1 HA SER 1 -16.282 1.190 -0.031 2 HB2 SER 1 HB2 SER 1 -17.625 0.266 -2.593 3 HB3 SER 1 HB3 SER 1 -17.792 -0.478 -1.005 4 HG SER 1 HG SER 1 -19.515 0.974 -1.528 5 H THR 2 H THR 2 -14.829 -0.491 0.291 6 HA THR 2 HA THR 2 -12.991 -1.915 -0.113 7 HB THR 2 HB THR 2 -14.079 -2.071 -2.930 8 HG1 THR 2 HG1 THR 2 -15.089 -3.456 -0.673 9 HG21 THR 2 HG21 THR 2 -13.575 -4.578 -2.315 10 HG22 THR 2 HG22 THR 2 -12.556 -3.862 -1.065 11 HG23 THR 2 HG23 THR 2 -12.250 -3.504 -2.764 12 H TRP 3 H TRP 3 -12.719 1.025 -0.712 13 HA TRP 3 HA TRP 3 -10.420 0.848 -2.632 14 HB2 TRP 3 HB2 TRP 3 -12.865 2.222 -2.890 15 HB3 TRP 3 HB3 TRP 3 -11.682 3.463 -2.481 16 HD1 TRP 3 HD1 TRP 3 -9.244 3.090 -3.976 17 HE1 TRP 3 HE1 TRP 3 -9.080 2.764 -6.528 18 HE3 TRP 3 HE3 TRP 3 -13.994 1.497 -4.970 19 HZ2 TRP 3 HZ2 TRP 3 -10.744 1.939 -8.704 20 HZ3 TRP 3 HZ3 TRP 3 -14.677 0.950 -7.288 21 HH2 TRP 3 HH2 TRP 3 -13.060 1.168 -9.155 22 H VAL 4 H VAL 4 -11.835 2.632 0.130 23 HA VAL 4 HA VAL 4 -9.556 4.263 0.725 24 HB VAL 4 HB VAL 4 -11.734 3.128 2.521 25 HG11 VAL 4 HG11 VAL 4 -11.275 5.075 3.945 26 HG12 VAL 4 HG12 VAL 4 -10.003 5.602 2.843 27 HG13 VAL 4 HG13 VAL 4 -9.812 4.107 3.759 28 HG21 VAL 4 HG21 VAL 4 -12.947 4.308 0.931 29 HG22 VAL 4 HG22 VAL 4 -11.609 5.397 0.566 30 HG23 VAL 4 HG23 VAL 4 -12.551 5.619 2.040 31 H LEU 5 H LEU 5 -10.603 1.135 2.154 32 HA LEU 5 HA LEU 5 -8.314 0.801 3.864 33 HB2 LEU 5 HB2 LEU 5 -10.579 -0.334 3.966 34 HB3 LEU 5 HB3 LEU 5 -10.074 -1.321 2.595 35 HG LEU 5 HG LEU 5 -8.115 -1.235 4.796 36 HD11 LEU 5 HD11 LEU 5 -10.310 -1.194 6.028 37 HD12 LEU 5 HD12 LEU 5 -9.366 -2.657 6.308 38 HD13 LEU 5 HD13 LEU 5 -10.741 -2.693 5.205 39 HD21 LEU 5 HD21 LEU 5 -9.238 -3.119 2.795 40 HD22 LEU 5 HD22 LEU 5 -8.694 -3.846 4.307 41 HD23 LEU 5 HD23 LEU 5 -7.570 -2.905 3.328 42 H VAL 6 H VAL 6 -9.049 -0.476 0.592 43 HA VAL 6 HA VAL 6 -6.599 -1.950 0.274 44 HB VAL 6 HB VAL 6 -8.565 -0.714 -1.684 45 HG11 VAL 6 HG11 VAL 6 -7.566 -2.551 -3.215 46 HG12 VAL 6 HG12 VAL 6 -6.197 -2.541 -2.103 47 HG13 VAL 6 HG13 VAL 6 -6.625 -1.077 -2.988 48 HG21 VAL 6 HG21 VAL 6 -9.517 -2.942 -1.784 49 HG22 VAL 6 HG22 VAL 6 -9.400 -2.482 -0.086 50 HG23 VAL 6 HG23 VAL 6 -8.218 -3.592 -0.783 51 H GLY 7 H GLY 7 -7.516 1.389 -0.487 52 HA2 GLY 7 HA2 GLY 7 -5.148 2.100 -1.938 53 HA3 GLY 7 HA3 GLY 7 -6.227 3.241 -1.134 54 H GLY 8 H GLY 8 -5.973 2.271 1.533 55 HA2 GLY 8 HA2 GLY 8 -3.609 3.614 2.403 56 HA3 GLY 8 HA3 GLY 8 -4.593 2.550 3.411 57 H VAL 9 H VAL 9 -4.335 0.122 2.103 58 HA VAL 9 HA VAL 9 -1.767 -0.825 2.987 59 HB VAL 9 HB VAL 9 -3.890 -1.976 1.138 60 HG11 VAL 9 HG11 VAL 9 -2.757 -4.179 2.009 61 HG12 VAL 9 HG12 VAL 9 -1.356 -3.138 2.271 62 HG13 VAL 9 HG13 VAL 9 -2.033 -3.316 0.652 63 HG21 VAL 9 HG21 VAL 9 -4.678 -3.134 3.109 64 HG22 VAL 9 HG22 VAL 9 -4.522 -1.429 3.529 65 HG23 VAL 9 HG23 VAL 9 -3.292 -2.581 4.051 66 H LEU 10 H LEU 10 -3.033 0.082 -0.219 67 HA LEU 10 HA LEU 10 -0.847 -0.780 -1.832 68 HB2 LEU 10 HB2 LEU 10 -3.211 0.904 -1.995 69 HB3 LEU 10 HB3 LEU 10 -1.881 1.627 -2.895 70 HG LEU 10 HG LEU 10 -3.256 0.076 -4.285 71 HD11 LEU 10 HD11 LEU 10 -0.490 -1.059 -3.817 72 HD12 LEU 10 HD12 LEU 10 -0.766 0.477 -4.639 73 HD13 LEU 10 HD13 LEU 10 -1.400 -1.018 -5.327 74 HD21 LEU 10 HD21 LEU 10 -2.073 -2.189 -2.683 75 HD22 LEU 10 HD22 LEU 10 -3.425 -2.226 -3.814 76 HD23 LEU 10 HD23 LEU 10 -3.623 -1.481 -2.228 77 H ALA 11 H ALA 11 -1.350 2.225 0.018 78 HA ALA 11 HA ALA 11 1.091 3.515 -0.918 79 HB1 ALA 11 HB1 ALA 11 -0.963 4.666 -0.064 80 HB2 ALA 11 HB2 ALA 11 0.491 5.156 0.805 81 HB3 ALA 11 HB3 ALA 11 -0.629 4.007 1.537 82 H ALA 12 H ALA 12 0.189 1.503 1.874 83 HA ALA 12 HA ALA 12 2.516 1.873 3.480 84 HB1 ALA 12 HB1 ALA 12 0.929 -0.684 3.109 85 HB2 ALA 12 HB2 ALA 12 0.305 0.704 4.001 86 HB3 ALA 12 HB3 ALA 12 1.749 -0.132 4.570 87 H LEU 13 H LEU 13 1.848 -0.454 0.842 88 HA LEU 13 HA LEU 13 4.459 -1.736 1.023 89 HB2 LEU 13 HB2 LEU 13 1.977 -2.223 -0.163 90 HB3 LEU 13 HB3 LEU 13 3.049 -1.940 -1.534 91 HG LEU 13 HG LEU 13 3.059 -4.320 -0.956 92 HD11 LEU 13 HD11 LEU 13 5.455 -4.642 -0.706 93 HD12 LEU 13 HD12 LEU 13 5.640 -3.025 -0.027 94 HD13 LEU 13 HD13 LEU 13 5.181 -3.223 -1.719 95 HD21 LEU 13 HD21 LEU 13 3.546 -5.147 1.198 96 HD22 LEU 13 HD22 LEU 13 2.508 -3.761 1.526 97 HD23 LEU 13 HD23 LEU 13 4.254 -3.621 1.724 98 H ALA 14 H ALA 14 3.125 1.009 -0.785 99 HA ALA 14 HA ALA 14 5.110 1.260 -2.815 100 HB1 ALA 14 HB1 ALA 14 4.368 3.620 -2.834 101 HB2 ALA 14 HB2 ALA 14 3.631 3.407 -1.246 102 HB3 ALA 14 HB3 ALA 14 2.983 2.545 -2.641 103 H ALA 15 H ALA 15 5.065 2.405 0.564 104 HA ALA 15 HA ALA 15 7.734 3.632 0.369 105 HB1 ALA 15 HB1 ALA 15 7.325 4.127 2.724 106 HB2 ALA 15 HB2 ALA 15 6.014 2.949 2.781 107 HB3 ALA 15 HB3 ALA 15 5.833 4.424 1.830 108 H TYR 16 H TYR 16 6.284 0.666 1.737 109 HA TYR 16 HA TYR 16 8.638 -0.384 3.000 110 HB2 TYR 16 HB2 TYR 16 6.294 -1.140 3.356 111 HB3 TYR 16 HB3 TYR 16 6.265 -1.788 1.717 112 HD1 TYR 16 HD2 TYR 16 7.922 -2.091 5.036 113 HD2 TYR 16 HD1 TYR 16 7.243 -3.900 1.199 114 HE1 TYR 16 HE2 TYR 16 8.946 -4.198 5.847 115 HE2 TYR 16 HE1 TYR 16 8.266 -6.006 2.011 116 HH TYR 16 HH TYR 16 10.190 -6.350 4.302 117 H CYS 17 H CYS 17 7.292 -0.858 -0.286 118 HA CYS 17 HA CYS 17 9.292 -2.693 -1.228 119 HB2 CYS 17 HB2 CYS 17 7.045 -2.151 -2.246 120 HB3 CYS 17 HB3 CYS 17 7.711 -0.605 -2.771 121 HG CYS 17 HG CYS 17 9.443 -1.952 -4.253 122 H LEU 18 H LEU 18 9.134 0.852 -1.102 123 HA LEU 18 HA LEU 18 11.450 1.415 -2.718 124 HB2 LEU 18 HB2 LEU 18 9.422 2.810 -1.523 125 HB3 LEU 18 HB3 LEU 18 10.769 3.217 -0.464 126 HG LEU 18 HG LEU 18 10.986 3.407 -3.472 127 HD11 LEU 18 HD11 LEU 18 10.342 5.692 -1.593 128 HD12 LEU 18 HD12 LEU 18 9.106 4.835 -2.514 129 HD13 LEU 18 HD13 LEU 18 10.377 5.722 -3.356 130 HD21 LEU 18 HD21 LEU 18 13.129 3.456 -2.468 131 HD22 LEU 18 HD22 LEU 18 12.558 4.397 -1.089 132 HD23 LEU 18 HD23 LEU 18 12.726 5.160 -2.670 133 H SER 19 H SER 19 11.030 1.207 0.837 134 HA SER 19 HA SER 19 13.782 1.655 1.518 135 HB2 SER 19 HB2 SER 19 12.995 0.523 3.685 136 HB3 SER 19 HB3 SER 19 12.086 1.938 3.170 137 HG SER 19 HG SER 19 10.403 0.714 2.813 138 H THR 20 H THR 20 12.187 -1.161 0.230 139 HA THR 20 HA THR 20 14.133 -3.109 1.239 140 HB THR 20 HB THR 20 12.012 -3.201 -0.939 141 HG1 THR 20 HG1 THR 20 10.963 -2.967 0.934 142 HG21 THR 20 HG21 THR 20 13.581 -5.412 0.417 143 HG22 THR 20 HG22 THR 20 13.651 -4.967 -1.289 144 HG23 THR 20 HG23 THR 20 12.179 -5.675 -0.621 145 H GLY 21 H GLY 21 13.594 -1.291 -1.783 146 HA2 GLY 21 HA2 GLY 21 15.926 -2.578 -3.064 147 HA3 GLY 21 HA3 GLY 21 14.844 -1.406 -3.818 148 H SER 22 H SER 22 14.976 0.601 -1.771 149 HA SER 22 HA SER 22 17.645 1.734 -2.403 150 HB2 SER 22 HB2 SER 22 15.084 2.798 -1.182 151 HB3 SER 22 HB3 SER 22 16.531 3.781 -1.386 152 HG SER 22 HG SER 22 15.431 4.095 -3.232 Start of MODEL 22 1 HA SER 1 HA SER 1 -15.695 -0.055 0.986 2 HB2 SER 1 HB2 SER 1 -13.774 2.218 0.478 3 HB3 SER 1 HB3 SER 1 -15.108 1.669 -0.530 4 HG SER 1 HG SER 1 -15.968 3.370 0.472 5 H THR 2 H THR 2 -14.508 -1.353 -0.499 6 HA THR 2 HA THR 2 -12.119 -2.615 0.435 7 HB THR 2 HB THR 2 -13.123 -2.463 -2.420 8 HG1 THR 2 HG1 THR 2 -14.623 -3.967 -1.863 9 HG21 THR 2 HG21 THR 2 -11.670 -4.573 -0.805 10 HG22 THR 2 HG22 THR 2 -11.038 -3.671 -2.183 11 HG23 THR 2 HG23 THR 2 -12.331 -4.847 -2.416 12 H TRP 3 H TRP 3 -12.637 -0.002 -1.913 13 HA TRP 3 HA TRP 3 -9.920 0.223 -2.825 14 HB2 TRP 3 HB2 TRP 3 -12.076 1.176 -3.821 15 HB3 TRP 3 HB3 TRP 3 -11.983 2.432 -2.586 16 HD1 TRP 3 HD1 TRP 3 -10.175 4.296 -2.851 17 HE1 TRP 3 HE1 TRP 3 -8.553 4.934 -4.751 18 HE3 TRP 3 HE3 TRP 3 -10.590 0.145 -5.796 19 HZ2 TRP 3 HZ2 TRP 3 -7.564 3.830 -7.197 20 HZ3 TRP 3 HZ3 TRP 3 -9.297 -0.036 -7.903 21 HH2 TRP 3 HH2 TRP 3 -7.787 1.799 -8.606 22 H VAL 4 H VAL 4 -11.698 1.764 -0.135 23 HA VAL 4 HA VAL 4 -9.648 3.595 0.679 24 HB VAL 4 HB VAL 4 -11.881 2.158 2.158 25 HG11 VAL 4 HG11 VAL 4 -10.324 2.859 3.847 26 HG12 VAL 4 HG12 VAL 4 -11.603 4.073 3.812 27 HG13 VAL 4 HG13 VAL 4 -10.052 4.405 3.042 28 HG21 VAL 4 HG21 VAL 4 -13.111 4.215 1.833 29 HG22 VAL 4 HG22 VAL 4 -12.458 3.738 0.265 30 HG23 VAL 4 HG23 VAL 4 -11.683 5.026 1.188 31 H LEU 5 H LEU 5 -10.347 0.221 1.645 32 HA LEU 5 HA LEU 5 -8.217 -0.003 3.583 33 HB2 LEU 5 HB2 LEU 5 -10.115 -1.760 2.105 34 HB3 LEU 5 HB3 LEU 5 -8.675 -2.546 2.751 35 HG LEU 5 HG LEU 5 -9.306 -1.155 4.926 36 HD11 LEU 5 HD11 LEU 5 -11.756 -1.002 5.188 37 HD12 LEU 5 HD12 LEU 5 -11.969 -1.536 3.521 38 HD13 LEU 5 HD13 LEU 5 -11.201 0.014 3.859 39 HD21 LEU 5 HD21 LEU 5 -10.372 -3.131 5.784 40 HD22 LEU 5 HD22 LEU 5 -9.205 -3.676 4.580 41 HD23 LEU 5 HD23 LEU 5 -10.920 -3.609 4.176 42 H VAL 6 H VAL 6 -8.466 -1.014 0.148 43 HA VAL 6 HA VAL 6 -5.789 -2.029 -0.078 44 HB VAL 6 HB VAL 6 -7.811 -0.933 -2.057 45 HG11 VAL 6 HG11 VAL 6 -6.313 -2.427 -3.645 46 HG12 VAL 6 HG12 VAL 6 -5.056 -2.058 -2.465 47 HG13 VAL 6 HG13 VAL 6 -5.869 -0.751 -3.328 48 HG21 VAL 6 HG21 VAL 6 -8.398 -3.205 -2.423 49 HG22 VAL 6 HG22 VAL 6 -8.227 -3.075 -0.673 50 HG23 VAL 6 HG23 VAL 6 -6.936 -3.796 -1.634 51 H GLY 7 H GLY 7 -7.180 1.197 -0.535 52 HA2 GLY 7 HA2 GLY 7 -4.905 2.454 -1.726 53 HA3 GLY 7 HA3 GLY 7 -6.159 3.294 -0.813 54 H GLY 8 H GLY 8 -5.812 1.923 1.682 55 HA2 GLY 8 HA2 GLY 8 -3.670 3.443 2.839 56 HA3 GLY 8 HA3 GLY 8 -4.546 2.142 3.649 57 H VAL 9 H VAL 9 -3.974 -0.033 2.047 58 HA VAL 9 HA VAL 9 -1.292 -0.747 2.860 59 HB VAL 9 HB VAL 9 -3.264 -1.994 0.908 60 HG11 VAL 9 HG11 VAL 9 -1.253 -3.068 0.385 61 HG12 VAL 9 HG12 VAL 9 -1.890 -4.101 1.664 62 HG13 VAL 9 HG13 VAL 9 -0.631 -2.922 2.029 63 HG21 VAL 9 HG21 VAL 9 -2.707 -2.429 3.858 64 HG22 VAL 9 HG22 VAL 9 -3.693 -3.514 2.880 65 HG23 VAL 9 HG23 VAL 9 -4.206 -1.847 3.135 66 H LEU 10 H LEU 10 -2.725 0.404 -0.181 67 HA LEU 10 HA LEU 10 -0.581 -0.088 -1.977 68 HB2 LEU 10 HB2 LEU 10 -2.921 1.715 -1.729 69 HB3 LEU 10 HB3 LEU 10 -1.658 2.295 -2.809 70 HG LEU 10 HG LEU 10 -2.637 -0.548 -2.992 71 HD11 LEU 10 HD11 LEU 10 -4.614 0.965 -3.130 72 HD12 LEU 10 HD12 LEU 10 -4.280 0.157 -4.661 73 HD13 LEU 10 HD13 LEU 10 -3.819 1.844 -4.437 74 HD21 LEU 10 HD21 LEU 10 -1.648 -0.498 -5.125 75 HD22 LEU 10 HD22 LEU 10 -0.538 0.484 -4.170 76 HD23 LEU 10 HD23 LEU 10 -1.721 1.261 -5.223 77 H ALA 11 H ALA 11 -1.169 2.683 0.208 78 HA ALA 11 HA ALA 11 1.258 4.104 -0.559 79 HB1 ALA 11 HB1 ALA 11 -0.727 4.273 1.726 80 HB2 ALA 11 HB2 ALA 11 -0.617 5.328 0.317 81 HB3 ALA 11 HB3 ALA 11 0.627 5.392 1.565 82 H ALA 12 H ALA 12 0.328 1.929 2.119 83 HA ALA 12 HA ALA 12 2.729 2.129 3.661 84 HB1 ALA 12 HB1 ALA 12 0.557 1.090 4.343 85 HB2 ALA 12 HB2 ALA 12 1.926 0.012 4.621 86 HB3 ALA 12 HB3 ALA 12 0.873 -0.240 3.228 87 H LEU 13 H LEU 13 1.825 -0.002 0.943 88 HA LEU 13 HA LEU 13 4.326 -1.494 0.938 89 HB2 LEU 13 HB2 LEU 13 1.947 -2.063 0.017 90 HB3 LEU 13 HB3 LEU 13 2.445 -1.134 -1.397 91 HG LEU 13 HG LEU 13 4.578 -2.627 -1.346 92 HD11 LEU 13 HD11 LEU 13 3.938 -4.948 -0.439 93 HD12 LEU 13 HD12 LEU 13 2.668 -4.118 0.460 94 HD13 LEU 13 HD13 LEU 13 4.360 -3.720 0.754 95 HD21 LEU 13 HD21 LEU 13 2.734 -2.711 -3.046 96 HD22 LEU 13 HD22 LEU 13 1.910 -3.898 -2.035 97 HD23 LEU 13 HD23 LEU 13 3.475 -4.283 -2.748 98 H ALA 14 H ALA 14 3.115 1.414 -0.736 99 HA ALA 14 HA ALA 14 5.115 1.672 -2.740 100 HB1 ALA 14 HB1 ALA 14 3.115 3.057 -2.644 101 HB2 ALA 14 HB2 ALA 14 4.521 4.117 -2.539 102 HB3 ALA 14 HB3 ALA 14 3.604 3.722 -1.086 103 H ALA 15 H ALA 15 5.137 2.687 0.684 104 HA ALA 15 HA ALA 15 7.810 3.876 0.523 105 HB1 ALA 15 HB1 ALA 15 6.272 2.994 2.980 106 HB2 ALA 15 HB2 ALA 15 5.858 4.459 2.092 107 HB3 ALA 15 HB3 ALA 15 7.442 4.307 2.851 108 H TYR 16 H TYR 16 6.410 0.789 1.655 109 HA TYR 16 HA TYR 16 8.848 -0.291 2.760 110 HB2 TYR 16 HB2 TYR 16 6.437 -1.016 3.147 111 HB3 TYR 16 HB3 TYR 16 6.492 -1.776 1.557 112 HD1 TYR 16 HD1 TYR 16 8.209 -1.699 4.874 113 HD2 TYR 16 HD2 TYR 16 7.455 -3.916 1.272 114 HE1 TYR 16 HE1 TYR 16 9.327 -3.680 5.859 115 HE2 TYR 16 HE2 TYR 16 8.573 -5.897 2.258 116 HH TYR 16 HH TYR 16 10.593 -5.915 4.547 117 H CYS 17 H CYS 17 7.231 -0.732 -0.413 118 HA CYS 17 HA CYS 17 9.151 -2.486 -1.589 119 HB2 CYS 17 HB2 CYS 17 6.836 -1.846 -2.398 120 HB3 CYS 17 HB3 CYS 17 7.520 -0.315 -2.944 121 HG CYS 17 HG CYS 17 8.968 -1.593 -4.671 122 H LEU 18 H LEU 18 9.201 1.008 -1.094 123 HA LEU 18 HA LEU 18 11.414 1.529 -2.933 124 HB2 LEU 18 HB2 LEU 18 9.450 3.003 -1.808 125 HB3 LEU 18 HB3 LEU 18 10.744 3.347 -0.664 126 HG LEU 18 HG LEU 18 12.036 3.590 -3.089 127 HD11 LEU 18 HD11 LEU 18 10.577 5.011 -4.484 128 HD12 LEU 18 HD12 LEU 18 9.242 4.745 -3.362 129 HD13 LEU 18 HD13 LEU 18 9.891 3.397 -4.298 130 HD21 LEU 18 HD21 LEU 18 10.879 5.415 -1.051 131 HD22 LEU 18 HD22 LEU 18 11.301 6.160 -2.593 132 HD23 LEU 18 HD23 LEU 18 12.532 5.309 -1.659 133 H SER 19 H SER 19 11.068 1.399 0.633 134 HA SER 19 HA SER 19 13.904 1.719 1.167 135 HB2 SER 19 HB2 SER 19 11.949 2.255 2.682 136 HB3 SER 19 HB3 SER 19 11.718 0.523 2.903 137 HG SER 19 HG SER 19 14.004 2.082 3.564 138 H THR 20 H THR 20 11.714 -1.121 1.152 139 HA THR 20 HA THR 20 13.832 -3.022 1.778 140 HB THR 20 HB THR 20 11.109 -3.499 0.525 141 HG1 THR 20 HG1 THR 20 10.453 -2.564 2.293 142 HG21 THR 20 HG21 THR 20 12.849 -5.188 2.343 143 HG22 THR 20 HG22 THR 20 12.613 -5.450 0.615 144 HG23 THR 20 HG23 THR 20 11.260 -5.643 1.728 145 H GLY 21 H GLY 21 12.353 -1.783 -1.202 146 HA2 GLY 21 HA2 GLY 21 13.351 -3.739 -3.019 147 HA3 GLY 21 HA3 GLY 21 12.936 -2.080 -3.452 148 H SER 22 H SER 22 14.806 -0.707 -1.814 149 HA SER 22 HA SER 22 17.267 -1.151 -3.383 150 HB2 SER 22 HB2 SER 22 16.041 0.946 -1.669 151 HB3 SER 22 HB3 SER 22 17.801 0.908 -1.694 152 HG SER 22 HG SER 22 16.167 1.892 -3.517 Start of MODEL 23 1 HA SER 1 HA SER 1 -15.881 2.413 -1.632 2 HB2 SER 1 HB2 SER 1 -14.261 4.853 -2.227 3 HB3 SER 1 HB3 SER 1 -14.202 3.535 -3.394 4 HG SER 1 HG SER 1 -15.934 4.756 -3.970 5 H THR 2 H THR 2 -14.366 1.029 -3.008 6 HA THR 2 HA THR 2 -12.592 -0.510 -1.438 7 HB THR 2 HB THR 2 -12.297 -0.172 -4.418 8 HG1 THR 2 HG1 THR 2 -14.415 -1.499 -3.068 9 HG21 THR 2 HG21 THR 2 -10.917 -1.834 -3.156 10 HG22 THR 2 HG22 THR 2 -11.974 -2.579 -4.355 11 HG23 THR 2 HG23 THR 2 -12.408 -2.628 -2.647 12 H TRP 3 H TRP 3 -11.979 2.446 -3.222 13 HA TRP 3 HA TRP 3 -9.120 2.271 -3.431 14 HB2 TRP 3 HB2 TRP 3 -10.883 4.726 -3.111 15 HB3 TRP 3 HB3 TRP 3 -9.285 4.676 -3.851 16 HD1 TRP 3 HD1 TRP 3 -9.505 2.204 -5.701 17 HE1 TRP 3 HE1 TRP 3 -11.090 2.198 -7.733 18 HE3 TRP 3 HE3 TRP 3 -12.748 5.893 -4.303 19 HZ2 TRP 3 HZ2 TRP 3 -13.424 3.578 -8.648 20 HZ3 TRP 3 HZ3 TRP 3 -14.641 6.527 -5.772 21 HH2 TRP 3 HH2 TRP 3 -14.982 5.375 -7.941 22 H VAL 4 H VAL 4 -11.257 3.503 -0.848 23 HA VAL 4 HA VAL 4 -9.041 4.466 0.795 24 HB VAL 4 HB VAL 4 -11.604 5.128 0.641 25 HG11 VAL 4 HG11 VAL 4 -13.078 4.028 2.079 26 HG12 VAL 4 HG12 VAL 4 -11.777 3.318 3.035 27 HG13 VAL 4 HG13 VAL 4 -12.144 2.680 1.433 28 HG21 VAL 4 HG21 VAL 4 -10.002 6.295 2.047 29 HG22 VAL 4 HG22 VAL 4 -10.014 4.977 3.220 30 HG23 VAL 4 HG23 VAL 4 -11.452 5.974 2.998 31 H LEU 5 H LEU 5 -10.615 1.387 0.330 32 HA LEU 5 HA LEU 5 -9.699 0.287 2.919 33 HB2 LEU 5 HB2 LEU 5 -11.194 -0.763 0.501 34 HB3 LEU 5 HB3 LEU 5 -10.745 -1.801 1.854 35 HG LEU 5 HG LEU 5 -12.042 0.722 2.657 36 HD11 LEU 5 HD11 LEU 5 -13.604 -1.396 1.145 37 HD12 LEU 5 HD12 LEU 5 -13.298 0.247 0.583 38 HD13 LEU 5 HD13 LEU 5 -14.303 -0.025 2.006 39 HD21 LEU 5 HD21 LEU 5 -13.266 -0.842 4.128 40 HD22 LEU 5 HD22 LEU 5 -11.529 -1.137 4.204 41 HD23 LEU 5 HD23 LEU 5 -12.564 -2.208 3.261 42 H VAL 6 H VAL 6 -9.056 -0.244 -0.573 43 HA VAL 6 HA VAL 6 -6.609 -1.807 0.144 44 HB VAL 6 HB VAL 6 -7.981 -1.398 -2.537 45 HG11 VAL 6 HG11 VAL 6 -6.846 -3.765 -2.792 46 HG12 VAL 6 HG12 VAL 6 -5.809 -3.193 -1.485 47 HG13 VAL 6 HG13 VAL 6 -5.880 -2.306 -3.009 48 HG21 VAL 6 HG21 VAL 6 -8.966 -3.679 -2.062 49 HG22 VAL 6 HG22 VAL 6 -9.601 -2.394 -1.037 50 HG23 VAL 6 HG23 VAL 6 -8.397 -3.514 -0.401 51 H GLY 7 H GLY 7 -6.885 1.240 0.232 52 HA2 GLY 7 HA2 GLY 7 -4.817 1.937 -1.813 53 HA3 GLY 7 HA3 GLY 7 -5.939 3.100 -1.104 54 H GLY 8 H GLY 8 -5.788 2.635 1.570 55 HA2 GLY 8 HA2 GLY 8 -3.347 3.882 2.357 56 HA3 GLY 8 HA3 GLY 8 -4.477 3.095 3.462 57 H VAL 9 H VAL 9 -4.392 0.465 2.632 58 HA VAL 9 HA VAL 9 -1.970 -0.531 3.808 59 HB VAL 9 HB VAL 9 -4.041 -1.838 1.998 60 HG11 VAL 9 HG11 VAL 9 -3.276 -3.925 3.274 61 HG12 VAL 9 HG12 VAL 9 -1.871 -2.982 3.768 62 HG13 VAL 9 HG13 VAL 9 -2.159 -3.302 2.058 63 HG21 VAL 9 HG21 VAL 9 -4.353 -2.649 4.676 64 HG22 VAL 9 HG22 VAL 9 -5.408 -1.563 3.773 65 HG23 VAL 9 HG23 VAL 9 -4.095 -0.906 4.750 66 H LEU 10 H LEU 10 -2.998 -0.138 0.416 67 HA LEU 10 HA LEU 10 -0.733 -1.373 -0.833 68 HB2 LEU 10 HB2 LEU 10 -3.090 0.121 -1.519 69 HB3 LEU 10 HB3 LEU 10 -1.722 0.825 -2.380 70 HG LEU 10 HG LEU 10 -1.091 -1.525 -3.095 71 HD11 LEU 10 HD11 LEU 10 -2.720 -2.413 -1.186 72 HD12 LEU 10 HD12 LEU 10 -2.477 -3.334 -2.670 73 HD13 LEU 10 HD13 LEU 10 -3.911 -2.325 -2.484 74 HD21 LEU 10 HD21 LEU 10 -2.186 -0.083 -4.686 75 HD22 LEU 10 HD22 LEU 10 -3.753 -0.326 -3.913 76 HD23 LEU 10 HD23 LEU 10 -2.984 -1.653 -4.783 77 H ALA 11 H ALA 11 -1.358 1.979 0.225 78 HA ALA 11 HA ALA 11 1.065 3.149 -0.778 79 HB1 ALA 11 HB1 ALA 11 -0.568 3.904 1.668 80 HB2 ALA 11 HB2 ALA 11 -1.034 4.306 0.016 81 HB3 ALA 11 HB3 ALA 11 0.444 4.978 0.703 82 H ALA 12 H ALA 12 0.271 1.511 2.295 83 HA ALA 12 HA ALA 12 2.655 2.109 3.743 84 HB1 ALA 12 HB1 ALA 12 0.526 1.025 4.564 85 HB2 ALA 12 HB2 ALA 12 1.988 0.188 5.082 86 HB3 ALA 12 HB3 ALA 12 1.028 -0.456 3.750 87 H LEU 13 H LEU 13 1.919 -0.474 1.397 88 HA LEU 13 HA LEU 13 4.521 -1.776 1.628 89 HB2 LEU 13 HB2 LEU 13 2.020 -2.380 0.620 90 HB3 LEU 13 HB3 LEU 13 2.956 -2.117 -0.852 91 HG LEU 13 HG LEU 13 4.069 -3.827 1.362 92 HD11 LEU 13 HD11 LEU 13 2.975 -5.762 0.549 93 HD12 LEU 13 HD12 LEU 13 2.436 -4.946 -0.919 94 HD13 LEU 13 HD13 LEU 13 1.698 -4.550 0.634 95 HD21 LEU 13 HD21 LEU 13 4.378 -4.215 -1.607 96 HD22 LEU 13 HD22 LEU 13 5.494 -4.643 -0.311 97 HD23 LEU 13 HD23 LEU 13 5.304 -2.957 -0.789 98 H ALA 14 H ALA 14 3.094 0.705 -0.491 99 HA ALA 14 HA ALA 14 5.062 0.794 -2.534 100 HB1 ALA 14 HB1 ALA 14 4.129 2.948 -2.986 101 HB2 ALA 14 HB2 ALA 14 3.707 3.202 -1.292 102 HB3 ALA 14 HB3 ALA 14 2.812 2.028 -2.258 103 H ALA 15 H ALA 15 5.033 2.295 0.701 104 HA ALA 15 HA ALA 15 7.594 3.669 0.313 105 HB1 ALA 15 HB1 ALA 15 5.891 3.051 2.754 106 HB2 ALA 15 HB2 ALA 15 5.825 4.527 1.791 107 HB3 ALA 15 HB3 ALA 15 7.265 4.157 2.741 108 H TYR 16 H TYR 16 6.468 0.712 1.998 109 HA TYR 16 HA TYR 16 8.999 -0.012 3.158 110 HB2 TYR 16 HB2 TYR 16 6.771 -0.911 3.806 111 HB3 TYR 16 HB3 TYR 16 6.660 -1.727 2.247 112 HD1 TYR 16 HD1 TYR 16 8.508 -1.596 5.459 113 HD2 TYR 16 HD2 TYR 16 7.903 -3.738 1.784 114 HE1 TYR 16 HE1 TYR 16 9.804 -3.507 6.358 115 HE2 TYR 16 HE2 TYR 16 9.197 -5.649 2.687 116 HH TYR 16 HH TYR 16 9.690 -6.375 5.491 117 H CYS 17 H CYS 17 7.381 -1.104 0.143 118 HA CYS 17 HA CYS 17 9.443 -2.804 -0.835 119 HB2 CYS 17 HB2 CYS 17 7.059 -2.467 -1.665 120 HB3 CYS 17 HB3 CYS 17 7.621 -0.994 -2.453 121 HG CYS 17 HG CYS 17 7.791 -3.498 -3.820 122 H LEU 18 H LEU 18 9.022 0.719 -1.052 123 HA LEU 18 HA LEU 18 11.113 1.302 -2.923 124 HB2 LEU 18 HB2 LEU 18 9.171 2.665 -1.573 125 HB3 LEU 18 HB3 LEU 18 10.597 3.181 -0.680 126 HG LEU 18 HG LEU 18 10.564 3.223 -3.695 127 HD11 LEU 18 HD11 LEU 18 9.688 5.435 -3.707 128 HD12 LEU 18 HD12 LEU 18 9.832 5.586 -1.956 129 HD13 LEU 18 HD13 LEU 18 8.606 4.526 -2.651 130 HD21 LEU 18 HD21 LEU 18 12.226 4.330 -1.464 131 HD22 LEU 18 HD22 LEU 18 12.097 5.280 -2.944 132 HD23 LEU 18 HD23 LEU 18 12.736 3.637 -3.004 133 H SER 19 H SER 19 11.117 1.145 0.653 134 HA SER 19 HA SER 19 13.840 1.859 1.106 135 HB2 SER 19 HB2 SER 19 11.808 1.491 2.698 136 HB3 SER 19 HB3 SER 19 12.313 -0.196 2.710 137 HG SER 19 HG SER 19 13.544 0.564 4.278 138 H THR 20 H THR 20 12.353 -1.300 0.374 139 HA THR 20 HA THR 20 14.758 -2.871 0.734 140 HB THR 20 HB THR 20 12.334 -3.432 -1.007 141 HG1 THR 20 HG1 THR 20 12.722 -3.795 1.783 142 HG21 THR 20 HG21 THR 20 14.223 -5.249 0.518 143 HG22 THR 20 HG22 THR 20 14.196 -5.027 -1.232 144 HG23 THR 20 HG23 THR 20 12.824 -5.778 -0.416 145 H GLY 21 H GLY 21 13.309 -1.176 -2.040 146 HA2 GLY 21 HA2 GLY 21 15.093 -2.296 -4.022 147 HA3 GLY 21 HA3 GLY 21 14.096 -0.858 -4.233 148 H SER 22 H SER 22 15.192 0.578 -1.946 149 HA SER 22 HA SER 22 17.494 1.803 -3.207 150 HB2 SER 22 HB2 SER 22 16.079 2.032 -0.548 151 HB3 SER 22 HB3 SER 22 17.510 2.993 -0.907 152 HG SER 22 HG SER 22 14.950 3.056 -2.049 Start of MODEL 24 1 HA SER 1 HA SER 1 -15.569 1.012 2.183 2 HB2 SER 1 HB2 SER 1 -14.166 2.063 4.464 3 HB3 SER 1 HB3 SER 1 -13.031 1.910 3.127 4 HG SER 1 HG SER 1 -13.951 3.627 2.357 5 H THR 2 H THR 2 -14.383 0.218 0.436 6 HA THR 2 HA THR 2 -12.405 -1.956 1.027 7 HB THR 2 HB THR 2 -14.093 -1.450 -1.443 8 HG1 THR 2 HG1 THR 2 -15.455 -2.981 -0.617 9 HG21 THR 2 HG21 THR 2 -12.409 -3.802 -0.543 10 HG22 THR 2 HG22 THR 2 -12.114 -2.766 -1.939 11 HG23 THR 2 HG23 THR 2 -13.513 -3.841 -1.918 12 H TRP 3 H TRP 3 -13.113 0.555 -1.419 13 HA TRP 3 HA TRP 3 -10.552 0.558 -2.684 14 HB2 TRP 3 HB2 TRP 3 -12.825 1.605 -3.355 15 HB3 TRP 3 HB3 TRP 3 -12.357 2.963 -2.332 16 HD1 TRP 3 HD1 TRP 3 -10.495 4.574 -3.193 17 HE1 TRP 3 HE1 TRP 3 -9.266 4.817 -5.448 18 HE3 TRP 3 HE3 TRP 3 -11.874 0.194 -5.430 19 HZ2 TRP 3 HZ2 TRP 3 -8.913 3.347 -7.876 20 HZ3 TRP 3 HZ3 TRP 3 -11.079 -0.358 -7.710 21 HH2 TRP 3 HH2 TRP 3 -9.601 1.211 -8.935 22 H VAL 4 H VAL 4 -11.836 2.603 -0.033 23 HA VAL 4 HA VAL 4 -9.457 4.172 0.356 24 HB VAL 4 HB VAL 4 -11.759 3.380 2.176 25 HG11 VAL 4 HG11 VAL 4 -9.991 4.102 3.622 26 HG12 VAL 4 HG12 VAL 4 -11.062 5.489 3.429 27 HG13 VAL 4 HG13 VAL 4 -9.546 5.416 2.532 28 HG21 VAL 4 HG21 VAL 4 -11.193 5.835 0.481 29 HG22 VAL 4 HG22 VAL 4 -12.535 5.698 1.618 30 HG23 VAL 4 HG23 VAL 4 -12.463 4.641 0.209 31 H LEU 5 H LEU 5 -10.587 1.115 1.825 32 HA LEU 5 HA LEU 5 -8.458 0.846 3.745 33 HB2 LEU 5 HB2 LEU 5 -10.736 -0.335 3.574 34 HB3 LEU 5 HB3 LEU 5 -9.983 -1.381 2.372 35 HG LEU 5 HG LEU 5 -8.405 -1.042 4.844 36 HD11 LEU 5 HD11 LEU 5 -9.820 -2.501 6.200 37 HD12 LEU 5 HD12 LEU 5 -11.012 -2.595 4.904 38 HD13 LEU 5 HD13 LEU 5 -10.736 -1.066 5.740 39 HD21 LEU 5 HD21 LEU 5 -8.092 -2.659 2.835 40 HD22 LEU 5 HD22 LEU 5 -9.395 -3.595 3.569 41 HD23 LEU 5 HD23 LEU 5 -7.897 -3.319 4.458 42 H VAL 6 H VAL 6 -8.911 -0.634 0.499 43 HA VAL 6 HA VAL 6 -6.353 -1.948 0.423 44 HB VAL 6 HB VAL 6 -8.297 -0.996 -1.704 45 HG11 VAL 6 HG11 VAL 6 -6.358 -1.250 -2.979 46 HG12 VAL 6 HG12 VAL 6 -7.014 -2.887 -3.022 47 HG13 VAL 6 HG13 VAL 6 -5.699 -2.493 -1.914 48 HG21 VAL 6 HG21 VAL 6 -9.251 -3.113 -1.567 49 HG22 VAL 6 HG22 VAL 6 -8.764 -2.877 0.111 50 HG23 VAL 6 HG23 VAL 6 -7.769 -3.856 -0.966 51 H GLY 7 H GLY 7 -7.407 1.300 -0.478 52 HA2 GLY 7 HA2 GLY 7 -5.061 2.086 -1.927 53 HA3 GLY 7 HA3 GLY 7 -6.191 3.195 -1.149 54 H GLY 8 H GLY 8 -5.925 2.296 1.533 55 HA2 GLY 8 HA2 GLY 8 -3.581 3.716 2.373 56 HA3 GLY 8 HA3 GLY 8 -4.580 2.702 3.415 57 H VAL 9 H VAL 9 -4.311 0.213 2.253 58 HA VAL 9 HA VAL 9 -1.745 -0.682 3.197 59 HB VAL 9 HB VAL 9 -3.833 -1.956 1.387 60 HG11 VAL 9 HG11 VAL 9 -1.979 -3.339 1.068 61 HG12 VAL 9 HG12 VAL 9 -2.725 -4.080 2.484 62 HG13 VAL 9 HG13 VAL 9 -1.332 -3.015 2.676 63 HG21 VAL 9 HG21 VAL 9 -4.651 -2.996 3.433 64 HG22 VAL 9 HG22 VAL 9 -4.590 -1.251 3.677 65 HG23 VAL 9 HG23 VAL 9 -3.335 -2.281 4.365 66 H LEU 10 H LEU 10 -3.003 0.043 -0.058 67 HA LEU 10 HA LEU 10 -0.810 -0.896 -1.618 68 HB2 LEU 10 HB2 LEU 10 -3.161 0.809 -1.869 69 HB3 LEU 10 HB3 LEU 10 -1.820 1.455 -2.809 70 HG LEU 10 HG LEU 10 -3.252 -0.163 -4.086 71 HD11 LEU 10 HD11 LEU 10 -0.813 0.243 -4.581 72 HD12 LEU 10 HD12 LEU 10 -1.399 -1.339 -5.090 73 HD13 LEU 10 HD13 LEU 10 -0.439 -1.187 -3.620 74 HD21 LEU 10 HD21 LEU 10 -2.053 -2.519 -2.813 75 HD22 LEU 10 HD22 LEU 10 -3.723 -2.236 -3.300 76 HD23 LEU 10 HD23 LEU 10 -3.148 -1.646 -1.741 77 H ALA 11 H ALA 11 -1.360 2.251 -0.015 78 HA ALA 11 HA ALA 11 1.078 3.503 -0.945 79 HB1 ALA 11 HB1 ALA 11 -1.055 4.556 -0.000 80 HB2 ALA 11 HB2 ALA 11 0.456 5.212 0.631 81 HB3 ALA 11 HB3 ALA 11 -0.480 4.069 1.595 82 H ALA 12 H ALA 12 0.230 1.592 1.945 83 HA ALA 12 HA ALA 12 2.642 1.980 3.435 84 HB1 ALA 12 HB1 ALA 12 0.405 0.910 4.099 85 HB2 ALA 12 HB2 ALA 12 1.852 0.084 4.678 86 HB3 ALA 12 HB3 ALA 12 0.974 -0.547 3.285 87 H LEU 13 H LEU 13 1.780 -0.324 0.863 88 HA LEU 13 HA LEU 13 4.255 -1.844 0.984 89 HB2 LEU 13 HB2 LEU 13 1.785 -1.657 -0.629 90 HB3 LEU 13 HB3 LEU 13 3.196 -2.186 -1.541 91 HG LEU 13 HG LEU 13 2.012 -4.120 -0.589 92 HD11 LEU 13 HD11 LEU 13 4.492 -3.818 1.086 93 HD12 LEU 13 HD12 LEU 13 4.620 -3.884 -0.671 94 HD13 LEU 13 HD13 LEU 13 3.907 -5.233 0.212 95 HD21 LEU 13 HD21 LEU 13 1.030 -2.917 1.357 96 HD22 LEU 13 HD22 LEU 13 2.628 -2.850 2.099 97 HD23 LEU 13 HD23 LEU 13 1.841 -4.407 1.839 98 H ALA 14 H ALA 14 3.112 0.951 -0.916 99 HA ALA 14 HA ALA 14 5.228 1.116 -2.809 100 HB1 ALA 14 HB1 ALA 14 4.525 3.468 -2.962 101 HB2 ALA 14 HB2 ALA 14 3.729 3.350 -1.392 102 HB3 ALA 14 HB3 ALA 14 3.104 2.441 -2.766 103 H ALA 15 H ALA 15 4.985 2.434 0.504 104 HA ALA 15 HA ALA 15 7.654 3.625 0.470 105 HB1 ALA 15 HB1 ALA 15 5.936 4.559 1.877 106 HB2 ALA 15 HB2 ALA 15 7.105 3.806 2.962 107 HB3 ALA 15 HB3 ALA 15 5.585 2.987 2.596 108 H TYR 16 H TYR 16 6.202 0.613 1.742 109 HA TYR 16 HA TYR 16 8.525 -0.388 3.103 110 HB2 TYR 16 HB2 TYR 16 6.224 -1.231 3.399 111 HB3 TYR 16 HB3 TYR 16 6.202 -1.791 1.729 112 HD1 TYR 16 HD1 TYR 16 8.110 -2.167 4.931 113 HD2 TYR 16 HD2 TYR 16 6.948 -3.953 1.200 114 HE1 TYR 16 HE1 TYR 16 9.150 -4.307 5.630 115 HE2 TYR 16 HE2 TYR 16 7.988 -6.091 1.899 116 HH TYR 16 HH TYR 16 10.161 -6.456 4.068 117 H CYS 17 H CYS 17 7.266 -1.024 -0.196 118 HA CYS 17 HA CYS 17 9.397 -2.715 -1.087 119 HB2 CYS 17 HB2 CYS 17 7.116 -2.281 -2.126 120 HB3 CYS 17 HB3 CYS 17 7.757 -0.749 -2.718 121 HG CYS 17 HG CYS 17 9.532 -2.121 -4.115 122 H LEU 18 H LEU 18 9.035 0.822 -1.027 123 HA LEU 18 HA LEU 18 11.286 1.536 -2.639 124 HB2 LEU 18 HB2 LEU 18 9.276 2.767 -1.112 125 HB3 LEU 18 HB3 LEU 18 10.781 3.308 -0.374 126 HG LEU 18 HG LEU 18 10.677 3.328 -3.349 127 HD11 LEU 18 HD11 LEU 18 9.511 5.518 -3.351 128 HD12 LEU 18 HD12 LEU 18 9.194 5.339 -1.625 129 HD13 LEU 18 HD13 LEU 18 8.462 4.222 -2.777 130 HD21 LEU 18 HD21 LEU 18 11.647 5.339 -1.291 131 HD22 LEU 18 HD22 LEU 18 12.008 5.348 -3.017 132 HD23 LEU 18 HD23 LEU 18 12.648 4.065 -1.989 133 H SER 19 H SER 19 11.000 1.004 0.890 134 HA SER 19 HA SER 19 13.735 1.580 1.552 135 HB2 SER 19 HB2 SER 19 11.365 0.256 2.767 136 HB3 SER 19 HB3 SER 19 12.927 -0.156 3.471 137 HG SER 19 HG SER 19 11.631 1.861 4.157 138 H THR 20 H THR 20 12.110 -1.392 0.464 139 HA THR 20 HA THR 20 14.322 -3.188 0.974 140 HB THR 20 HB THR 20 12.035 -3.328 -1.027 141 HG1 THR 20 HG1 THR 20 10.948 -3.382 0.772 142 HG21 THR 20 HG21 THR 20 12.370 -5.744 -0.928 143 HG22 THR 20 HG22 THR 20 13.676 -5.540 0.239 144 HG23 THR 20 HG23 THR 20 13.874 -4.964 -1.416 145 H GLY 21 H GLY 21 13.418 -1.098 -1.751 146 HA2 GLY 21 HA2 GLY 21 15.292 -2.200 -3.647 147 HA3 GLY 21 HA3 GLY 21 14.527 -0.615 -3.765 148 H SER 22 H SER 22 15.495 0.397 -1.230 149 HA SER 22 HA SER 22 18.197 1.197 -2.067 150 HB2 SER 22 HB2 SER 22 16.191 1.931 0.040 151 HB3 SER 22 HB3 SER 22 17.863 2.441 0.255 152 HG SER 22 HG SER 22 17.755 3.563 -1.647 Start of MODEL 25 1 HA SER 1 HA SER 1 -16.280 2.172 -0.399 2 HB2 SER 1 HB2 SER 1 -16.254 3.181 2.174 3 HB3 SER 1 HB3 SER 1 -14.622 2.540 2.011 4 HG SER 1 HG SER 1 -15.769 4.721 0.857 5 H THR 2 H THR 2 -14.912 0.876 -1.559 6 HA THR 2 HA THR 2 -13.320 -1.205 -0.091 7 HB THR 2 HB THR 2 -14.078 -1.228 -3.019 8 HG1 THR 2 HG1 THR 2 -15.970 -2.169 -2.492 9 HG21 THR 2 HG21 THR 2 -12.502 -2.913 -2.567 10 HG22 THR 2 HG22 THR 2 -14.043 -3.757 -2.421 11 HG23 THR 2 HG23 THR 2 -13.177 -3.245 -0.972 12 H TRP 3 H TRP 3 -12.796 1.781 -1.193 13 HA TRP 3 HA TRP 3 -10.229 1.128 -2.602 14 HB2 TRP 3 HB2 TRP 3 -12.205 3.403 -2.692 15 HB3 TRP 3 HB3 TRP 3 -10.549 3.648 -3.245 16 HD1 TRP 3 HD1 TRP 3 -9.767 2.394 -5.431 17 HE1 TRP 3 HE1 TRP 3 -11.064 1.197 -7.311 18 HE3 TRP 3 HE3 TRP 3 -14.341 1.947 -3.205 19 HZ2 TRP 3 HZ2 TRP 3 -13.692 0.182 -7.805 20 HZ3 TRP 3 HZ3 TRP 3 -16.221 0.860 -4.400 21 HH2 TRP 3 HH2 TRP 3 -15.902 -0.021 -6.696 22 H VAL 4 H VAL 4 -11.660 2.795 0.156 23 HA VAL 4 HA VAL 4 -9.385 4.407 0.888 24 HB VAL 4 HB VAL 4 -11.691 3.228 2.480 25 HG11 VAL 4 HG11 VAL 4 -9.804 3.938 3.932 26 HG12 VAL 4 HG12 VAL 4 -11.212 4.980 4.131 27 HG13 VAL 4 HG13 VAL 4 -9.837 5.530 3.173 28 HG21 VAL 4 HG21 VAL 4 -12.355 4.704 0.601 29 HG22 VAL 4 HG22 VAL 4 -11.290 5.964 1.224 30 HG23 VAL 4 HG23 VAL 4 -12.696 5.457 2.158 31 H LEU 5 H LEU 5 -10.514 1.202 2.057 32 HA LEU 5 HA LEU 5 -8.254 0.763 3.810 33 HB2 LEU 5 HB2 LEU 5 -10.659 -0.299 3.651 34 HB3 LEU 5 HB3 LEU 5 -9.885 -1.422 2.534 35 HG LEU 5 HG LEU 5 -8.070 -1.606 4.435 36 HD11 LEU 5 HD11 LEU 5 -9.068 0.201 5.813 37 HD12 LEU 5 HD12 LEU 5 -9.030 -1.334 6.680 38 HD13 LEU 5 HD13 LEU 5 -10.541 -0.755 5.978 39 HD21 LEU 5 HD21 LEU 5 -9.562 -3.433 3.642 40 HD22 LEU 5 HD22 LEU 5 -10.822 -2.856 4.733 41 HD23 LEU 5 HD23 LEU 5 -9.314 -3.498 5.386 42 H VAL 6 H VAL 6 -9.044 -0.432 0.522 43 HA VAL 6 HA VAL 6 -6.645 -1.967 0.149 44 HB VAL 6 HB VAL 6 -8.576 -0.618 -1.765 45 HG11 VAL 6 HG11 VAL 6 -6.729 -1.025 -3.146 46 HG12 VAL 6 HG12 VAL 6 -7.635 -2.529 -3.300 47 HG13 VAL 6 HG13 VAL 6 -6.234 -2.449 -2.232 48 HG21 VAL 6 HG21 VAL 6 -8.330 -3.515 -0.894 49 HG22 VAL 6 HG22 VAL 6 -9.589 -2.828 -1.921 50 HG23 VAL 6 HG23 VAL 6 -9.491 -2.372 -0.219 51 H GLY 7 H GLY 7 -7.471 1.399 -0.630 52 HA2 GLY 7 HA2 GLY 7 -5.045 2.046 -2.014 53 HA3 GLY 7 HA3 GLY 7 -6.123 3.217 -1.253 54 H GLY 8 H GLY 8 -5.967 2.249 1.428 55 HA2 GLY 8 HA2 GLY 8 -3.622 3.565 2.373 56 HA3 GLY 8 HA3 GLY 8 -4.636 2.498 3.346 57 H VAL 9 H VAL 9 -4.352 0.072 2.065 58 HA VAL 9 HA VAL 9 -1.801 -0.875 2.996 59 HB VAL 9 HB VAL 9 -3.869 -2.043 1.097 60 HG11 VAL 9 HG11 VAL 9 -2.016 -3.413 0.722 61 HG12 VAL 9 HG12 VAL 9 -2.782 -4.228 2.085 62 HG13 VAL 9 HG13 VAL 9 -1.388 -3.182 2.353 63 HG21 VAL 9 HG21 VAL 9 -3.787 -3.276 3.682 64 HG22 VAL 9 HG22 VAL 9 -5.106 -2.360 2.954 65 HG23 VAL 9 HG23 VAL 9 -3.880 -1.530 3.911 66 H LEU 10 H LEU 10 -3.009 -0.001 -0.245 67 HA LEU 10 HA LEU 10 -0.796 -0.875 -1.810 68 HB2 LEU 10 HB2 LEU 10 -3.134 0.856 -2.015 69 HB3 LEU 10 HB3 LEU 10 -1.776 1.525 -2.917 70 HG LEU 10 HG LEU 10 -3.189 -0.014 -4.286 71 HD11 LEU 10 HD11 LEU 10 -1.352 -1.182 -5.296 72 HD12 LEU 10 HD12 LEU 10 -0.441 -1.183 -3.785 73 HD13 LEU 10 HD13 LEU 10 -0.702 0.328 -4.657 74 HD21 LEU 10 HD21 LEU 10 -3.619 -1.532 -2.228 75 HD22 LEU 10 HD22 LEU 10 -2.063 -2.265 -2.617 76 HD23 LEU 10 HD23 LEU 10 -3.381 -2.317 -3.788 77 H ALA 11 H ALA 11 -1.344 2.188 -0.061 78 HA ALA 11 HA ALA 11 1.118 3.461 -0.914 79 HB1 ALA 11 HB1 ALA 11 -0.505 3.972 1.595 80 HB2 ALA 11 HB2 ALA 11 -1.036 4.499 -0.002 81 HB3 ALA 11 HB3 ALA 11 0.461 5.133 0.684 82 H ALA 12 H ALA 12 0.187 1.470 1.896 83 HA ALA 12 HA ALA 12 2.520 1.822 3.495 84 HB1 ALA 12 HB1 ALA 12 1.734 -0.169 4.596 85 HB2 ALA 12 HB2 ALA 12 0.916 -0.726 3.138 86 HB3 ALA 12 HB3 ALA 12 0.297 0.672 4.017 87 H LEU 13 H LEU 13 1.841 -0.451 0.827 88 HA LEU 13 HA LEU 13 4.406 -1.823 1.009 89 HB2 LEU 13 HB2 LEU 13 1.952 -2.271 -0.147 90 HB3 LEU 13 HB3 LEU 13 2.922 -1.822 -1.550 91 HG LEU 13 HG LEU 13 3.961 -3.824 0.448 92 HD11 LEU 13 HD11 LEU 13 2.892 -5.618 -0.654 93 HD12 LEU 13 HD12 LEU 13 2.433 -4.616 -2.031 94 HD13 LEU 13 HD13 LEU 13 1.615 -4.415 -0.481 95 HD21 LEU 13 HD21 LEU 13 5.069 -4.638 -1.711 96 HD22 LEU 13 HD22 LEU 13 5.597 -3.061 -1.124 97 HD23 LEU 13 HD23 LEU 13 4.457 -3.167 -2.466 98 H ALA 14 H ALA 14 3.146 0.945 -0.841 99 HA ALA 14 HA ALA 14 5.222 1.195 -2.772 100 HB1 ALA 14 HB1 ALA 14 4.441 3.522 -2.889 101 HB2 ALA 14 HB2 ALA 14 3.677 3.365 -1.307 102 HB3 ALA 14 HB3 ALA 14 3.057 2.448 -2.680 103 H ALA 15 H ALA 15 5.024 2.359 0.594 104 HA ALA 15 HA ALA 15 7.649 3.671 0.500 105 HB1 ALA 15 HB1 ALA 15 7.160 4.100 2.854 106 HB2 ALA 15 HB2 ALA 15 5.891 2.876 2.848 107 HB3 ALA 15 HB3 ALA 15 5.686 4.362 1.921 108 H TYR 16 H TYR 16 6.302 0.612 1.773 109 HA TYR 16 HA TYR 16 8.690 -0.326 3.071 110 HB2 TYR 16 HB2 TYR 16 6.276 -1.143 3.272 111 HB3 TYR 16 HB3 TYR 16 6.521 -1.974 1.735 112 HD1 TYR 16 HD1 TYR 16 7.764 -1.710 5.235 113 HD2 TYR 16 HD2 TYR 16 7.735 -4.021 1.614 114 HE1 TYR 16 HE1 TYR 16 8.862 -3.587 6.424 115 HE2 TYR 16 HE2 TYR 16 8.834 -5.899 2.804 116 HH TYR 16 HH TYR 16 10.480 -5.770 5.314 117 H CYS 17 H CYS 17 7.348 -0.976 -0.191 118 HA CYS 17 HA CYS 17 9.452 -2.653 -1.150 119 HB2 CYS 17 HB2 CYS 17 7.157 -2.195 -2.138 120 HB3 CYS 17 HB3 CYS 17 7.788 -0.655 -2.717 121 HG CYS 17 HG CYS 17 8.077 -3.056 -4.285 122 H LEU 18 H LEU 18 9.142 0.883 -1.011 123 HA LEU 18 HA LEU 18 11.401 1.541 -2.673 124 HB2 LEU 18 HB2 LEU 18 9.343 2.844 -1.370 125 HB3 LEU 18 HB3 LEU 18 10.745 3.347 -0.432 126 HG LEU 18 HG LEU 18 10.395 4.934 -2.246 127 HD11 LEU 18 HD11 LEU 18 12.710 3.187 -3.094 128 HD12 LEU 18 HD12 LEU 18 12.752 4.133 -1.606 129 HD13 LEU 18 HD13 LEU 18 12.587 4.944 -3.163 130 HD21 LEU 18 HD21 LEU 18 10.314 4.288 -4.556 131 HD22 LEU 18 HD22 LEU 18 9.183 3.237 -3.705 132 HD23 LEU 18 HD23 LEU 18 10.771 2.629 -4.174 133 H SER 19 H SER 19 11.056 1.175 0.873 134 HA SER 19 HA SER 19 13.755 1.834 1.573 135 HB2 SER 19 HB2 SER 19 11.746 1.687 3.077 136 HB3 SER 19 HB3 SER 19 11.816 -0.067 2.934 137 HG SER 19 HG SER 19 13.861 1.642 3.940 138 H THR 20 H THR 20 12.230 -1.320 0.819 139 HA THR 20 HA THR 20 14.661 -2.859 1.282 140 HB THR 20 HB THR 20 12.090 -3.465 -0.220 141 HG1 THR 20 HG1 THR 20 11.468 -4.369 1.735 142 HG21 THR 20 HG21 THR 20 13.346 -5.253 -0.897 143 HG22 THR 20 HG22 THR 20 12.967 -5.851 0.718 144 HG23 THR 20 HG23 THR 20 14.512 -5.059 0.412 145 H GLY 21 H GLY 21 13.106 -1.402 -1.571 146 HA2 GLY 21 HA2 GLY 21 14.814 -2.636 -3.531 147 HA3 GLY 21 HA3 GLY 21 13.851 -1.181 -3.785 148 H SER 22 H SER 22 15.007 0.420 -1.708 149 HA SER 22 HA SER 22 17.663 0.988 -2.954 150 HB2 SER 22 HB2 SER 22 15.611 2.566 -1.390 151 HB3 SER 22 HB3 SER 22 17.228 3.201 -1.680 152 HG SER 22 HG SER 22 15.305 2.390 -3.609