============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 10 0.900 15.293 116.559 98.038 -99.200 -91.000 TYR 21 0.840 22.283 113.398 80.575 -99.200 -91.000 PHE 27 1.000 29.599 92.680 76.012 -99.200 -91.000 HIS 29 0.900 27.031 90.925 85.992 -99.200 -91.000 HIS 36 0.900 26.684 104.955 85.784 -99.200 -91.000 TYR 38 0.840 29.864 110.506 86.427 -99.200 -91.000 TYR 40 0.840 31.018 120.297 81.137 -99.200 -91.000 PHE 45 1.000 26.204 108.600 89.973 -99.200 -91.000 PHE 53 1.000 19.583 92.509 76.790 -99.200 -91.000 HIS 56 0.900 20.911 101.534 71.936 -99.200 -91.000 TYR 67 0.840 12.548 112.142 74.347 -99.200 -91.000 TYR 72 0.840 11.564 97.391 81.016 -99.200 -91.000 HIS 73 0.900 12.156 89.210 76.805 -99.200 -91.000 TRP 88 1.040 13.037 107.258 82.564 -99.200 -91.000 TRP6 88 1.020 13.364 106.454 84.759 -99.200 -91.000 PHE 95 1.000 7.824 105.091 83.378 -99.200 -91.000 TYR 111 0.840 28.557 101.765 66.408 -99.200 -91.000 PHE 115 1.000 16.254 106.108 71.798 -99.200 -91.000 PHE 123 1.000 7.232 113.468 63.990 -99.200 -91.000 TYR 145 0.840 7.069 101.859 65.708 -99.200 -91.000 TRP 156 1.040 23.259 99.728 61.675 -99.200 -91.000 TRP6 156 1.020 21.516 98.394 62.551 -99.200 -91.000 PHE 168 1.000 14.793 109.445 59.225 -99.200 -91.000 PHE 198 1.000 30.338 103.438 51.943 -99.200 -91.000 PHE 206 1.000 35.738 103.466 61.391 -99.200 -91.000 HIS 217 0.900 32.829 116.895 56.215 -99.200 -91.000 PHE 218 1.000 28.800 110.058 56.625 -99.200 -91.000 TYR 221 0.840 36.251 99.038 58.471 -99.200 -91.000 TYR 222 0.840 40.941 99.709 53.652 -99.200 -91.000 TYR 226 0.840 34.392 107.697 50.608 -99.200 -91.000 PHE 230 1.000 22.702 117.272 55.593 -99.200 -91.000 TRP 241 1.040 38.569 114.729 52.313 -99.200 -91.000 TRP6 241 1.020 39.710 115.355 54.289 -99.200 -91.000 TRP 253 1.040 50.090 106.791 62.234 -99.200 -91.000 TRP6 253 1.020 49.483 107.276 64.467 -99.200 -91.000 TYR 258 0.840 33.246 100.142 69.446 -99.200 -91.000 HIS 264 0.900 34.649 124.192 67.310 -99.200 -91.000 TYR 271 0.840 38.434 118.156 67.269 -99.200 -91.000 PHE 273 1.000 38.575 109.029 69.938 -99.200 -91.000 HIS 275 0.900 44.043 101.824 64.948 -99.200 -91.000 HIS 283 0.900 36.931 96.947 61.897 -99.200 -91.000 PHE 285 1.000 43.729 96.866 67.413 -99.200 -91.000 TRP 291 1.040 46.248 111.589 63.850 -99.200 -91.000 TRP6 291 1.020 46.761 110.763 61.697 -99.200 -91.000 TYR 332 0.840 41.127 115.480 75.578 -99.200 -91.000 PHE 357 1.000 29.655 118.010 76.466 -99.200 -91.000 HIS 358 0.900 20.269 118.696 79.969 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2h47H1 LYS 28 HA 0.00 0.01 0.18 -0.75 4.32 3.76 2h47H1 LYS 28 HB2 0.00 -0.04 0.08 -0.04 1.87 1.87 2h47H1 LYS 28 HB3 0.00 -0.04 -0.06 -0.04 1.79 1.65 2h47H1 LYS 28 HG2 0.00 0.04 -0.01 -0.04 1.46 1.45 2h47H1 LYS 28 HG3 0.00 -0.02 0.02 -0.04 1.46 1.42 2h47H1 LYS 28 HD2 0.00 -0.02 -0.00 -0.04 1.69 1.63 2h47H1 LYS 28 HD3 0.00 -0.00 -0.04 -0.04 1.68 1.60 2h47H1 LYS 28 HE2 0.00 0.02 -0.02 -0.04 2.99 2.96 2h47H1 LYS 28 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 2h47H1 PRO 29 HA 0.00 0.05 0.77 -0.51 4.44 4.75 2h47H1 PRO 29 HB2 0.01 0.12 0.05 -0.04 2.28 2.42 2h47H1 PRO 29 HB3 0.01 -0.02 0.05 -0.04 2.02 2.02 2h47H1 PRO 29 HG2 0.01 0.01 0.06 -0.04 2.03 2.06 2h47H1 PRO 29 HG3 0.00 0.03 -0.01 -0.04 2.03 2.01 2h47H1 PRO 29 HD2 0.00 0.08 0.14 -0.04 3.68 3.87 2h47H1 PRO 29 HD3 0.00 0.15 0.14 -0.04 3.65 3.90 2h47H1 ARG 30 H 0.00 0.12 0.07 -0.55 8.46 8.11 2h47H1 ARG 30 HA 0.00 0.04 0.31 -0.75 4.34 3.95 2h47H1 ARG 30 HB2 0.00 -0.13 0.20 -0.04 1.90 1.93 2h47H1 ARG 30 HB3 0.00 0.00 0.04 -0.04 1.80 1.80 2h47H1 ARG 30 HG2 0.00 0.03 0.01 -0.04 1.67 1.67 2h47H1 ARG 30 HG3 0.00 0.03 0.09 -0.04 1.67 1.76 2h47H1 ARG 30 HD2 0.00 -0.02 0.03 -0.04 3.22 3.19 2h47H1 ARG 30 HD3 0.00 -0.00 0.01 -0.04 3.22 3.19 2h47H1 GLU 31 H 0.00 0.00 0.03 -0.55 8.60 8.09 2h47H1 GLU 31 HA 0.01 0.16 0.62 -0.75 4.29 4.32 2h47H1 GLU 31 HB2 0.00 -0.03 0.00 -0.04 2.09 2.03 2h47H1 GLU 31 HB3 0.01 0.00 0.03 -0.04 1.99 1.99 2h47H1 GLU 31 HG2 0.00 0.05 -0.03 -0.04 2.34 2.32 2h47H1 GLU 31 HG3 0.00 -0.08 0.02 -0.04 2.34 2.24 2h47H1 VAL 32 H 0.01 0.21 0.11 -0.55 8.24 8.02 2h47H1 VAL 32 HA 0.01 0.08 0.72 -0.75 4.13 4.20 2h47H1 VAL 32 HB 0.02 -0.04 0.04 -0.04 2.12 2.10 2h47H1 VAL 32 HG13 0.02 0.01 -0.14 -0.04 0.97 0.81 2h47H1 VAL 32 HG23 0.01 0.03 -0.27 -0.04 0.95 0.68 2h47H1 LEU 33 H 0.02 0.12 0.09 -0.55 8.37 8.06 2h47H1 LEU 33 HA 0.03 0.05 0.52 -0.75 4.35 4.20 2h47H1 LEU 33 HB2 0.02 -0.01 0.09 -0.04 1.64 1.70 2h47H1 LEU 33 HB3 0.02 -0.01 0.11 -0.04 1.64 1.72 2h47H1 LEU 33 HG 0.04 0.03 -0.23 -0.04 1.64 1.43 2h47H1 LEU 33 HD13 0.03 -0.01 0.05 -0.04 0.93 0.96 2h47H1 LEU 33 HD23 0.03 -0.01 -0.03 -0.04 0.89 0.83 2h47H1 THR 34 H 0.08 0.23 0.27 -0.55 8.28 8.32 2h47H1 THR 34 HA 0.06 0.13 0.81 -0.75 4.39 4.63 2h47H1 THR 34 HB 0.06 0.05 0.07 -0.04 4.32 4.46 2h47H1 THR 34 HG23 0.05 0.02 -0.25 -0.04 1.22 1.00 2h47H1 GLY 35 H 0.02 0.14 0.11 -0.55 8.43 8.16 2h47H1 GLY 35 HA2 0.22 0.22 0.92 -0.51 4.01 4.86 2h47H1 GLY 35 HA3 0.06 0.01 0.37 -0.51 4.01 3.94 2h47H1 GLY 36 H 0.03 0.17 0.18 -0.55 8.43 8.26 2h47H1 GLY 36 HA2 -0.00 0.05 0.34 -0.51 4.01 3.89 2h47H1 GLY 36 HA3 -0.08 0.06 0.48 -0.51 4.01 3.96 2h47H1 HIS 37 H 0.10 -0.03 -0.17 -0.55 8.41 7.77 2h47H1 HIS 37 HA 0.02 0.11 0.59 -0.75 4.63 4.59 2h47H1 HIS 37 HB2 0.02 -0.02 0.03 -0.04 3.26 3.25 2h47H1 HIS 37 HB3 0.01 0.09 0.04 -0.04 3.20 3.30 2h47H1 HIS 37 HD2 0.02 -0.03 -0.08 -0.04 6.97 6.84 2h47H1 HIS 37 HE1 0.01 -0.03 -0.05 -0.04 7.75 7.63 2h47H1 SER 38 H 0.12 0.05 0.11 -0.55 8.46 8.19 2h47H1 SER 38 HA 0.06 0.30 0.70 -0.75 4.49 4.79 2h47H1 SER 38 HB2 0.05 -0.04 -0.00 -0.04 3.95 3.91 2h47H1 SER 38 HB3 0.03 0.04 0.02 -0.04 3.93 3.98 2h47H1 VAL 39 H 0.03 0.35 0.23 -0.55 8.24 8.30 2h47H1 VAL 39 HA -0.00 0.07 0.49 -0.75 4.13 3.93 2h47H1 VAL 39 HB 0.00 -0.03 0.17 -0.04 2.12 2.22 2h47H1 VAL 39 HG13 -0.06 -0.04 -0.11 -0.04 0.97 0.72 2h47H1 VAL 39 HG23 0.02 0.08 -0.01 -0.04 0.95 1.00 2h47H1 SER 40 H -0.02 0.18 0.22 -0.55 8.46 8.29 2h47H1 SER 40 HA -0.01 0.04 0.30 -0.75 4.49 4.06 2h47H1 SER 40 HB2 -0.03 -0.03 0.03 -0.04 3.95 3.88 2h47H1 SER 40 HB3 -0.03 0.04 0.14 -0.04 3.93 4.04 2h47H1 ALA 41 H -0.05 0.03 -0.36 -0.55 8.40 7.47 2h47H1 ALA 41 HA -0.04 0.21 0.82 -0.75 4.34 4.57 2h47H1 ALA 41 HB3 -0.07 -0.01 -0.08 -0.04 1.41 1.21 2h47H1 PRO 42 HA -0.05 0.07 0.44 -0.51 4.44 4.39 2h47H1 PRO 42 HB2 -0.04 -0.06 0.00 -0.04 2.28 2.14 2h47H1 PRO 42 HB3 -0.03 0.08 0.11 -0.04 2.02 2.13 2h47H1 PRO 42 HG2 -0.06 -0.07 0.05 -0.04 2.03 1.91 2h47H1 PRO 42 HG3 -0.04 0.07 0.05 -0.04 2.03 2.08 2h47H1 PRO 42 HD2 -0.06 0.05 0.18 -0.04 3.68 3.82 2h47H1 PRO 42 HD3 -0.04 0.21 0.20 -0.04 3.65 3.98 2h47H1 GLN 43 H -0.11 0.17 0.17 -0.55 8.47 8.15 2h47H1 GLN 43 HA -0.27 0.09 0.36 -0.75 4.36 3.78 2h47H1 GLN 43 HB2 -0.27 -0.08 0.15 -0.04 2.15 1.92 2h47H1 GLN 43 HB3 -1.35 0.10 0.02 -0.04 2.02 0.75 2h47H1 GLN 43 HG2 -0.23 0.02 0.05 -0.04 2.40 2.21 2h47H1 GLN 43 HG3 -0.13 -0.05 0.15 -0.04 2.39 2.32 2h47H1 GLN 43 HE21 0.09 0.09 0.14 -0.04 6.97 7.25 2h47H1 GLN 43 HE22 0.05 -0.13 0.04 -0.04 7.69 7.61 2h47H1 GLU 44 H -0.08 0.05 -0.17 -0.55 8.60 7.85 2h47H1 GLU 44 HA 0.09 0.14 0.30 -0.75 4.29 4.07 2h47H1 GLU 44 HB2 0.06 0.01 0.03 -0.04 2.09 2.15 2h47H1 GLU 44 HB3 0.03 -0.03 0.10 -0.04 1.99 2.05 2h47H1 GLU 44 HG2 -0.02 -0.04 -0.01 -0.04 2.34 2.23 2h47H1 GLU 44 HG3 -0.02 0.03 -0.17 -0.04 2.34 2.13 2h47H1 ASN 45 H -0.04 0.65 -0.61 -0.55 8.53 7.98 2h47H1 ASN 45 HA -0.16 0.10 0.82 -0.75 4.76 4.76 2h47H1 ASN 45 HB2 -0.10 0.26 0.01 -0.04 2.88 3.02 2h47H1 ASN 45 HB3 -0.18 -0.18 0.01 -0.04 2.79 2.40 2h47H1 ASN 45 HD21 -0.10 0.01 -0.03 -0.04 7.03 6.87 2h47H1 ASN 45 HD22 -0.11 -0.01 -0.02 -0.04 7.74 7.56 2h47H1 ARG 46 H 0.02 0.74 0.14 -0.55 8.46 8.81 2h47H1 ARG 46 HA -0.06 0.38 0.80 -0.75 4.34 4.70 2h47H1 ARG 46 HB2 0.11 -0.03 0.06 -0.04 1.90 2.00 2h47H1 ARG 46 HB3 -0.23 -0.03 0.06 -0.04 1.80 1.57 2h47H1 ARG 46 HG2 -0.08 -0.04 -0.18 -0.04 1.67 1.32 2h47H1 ARG 46 HG3 -0.07 0.08 0.02 -0.04 1.67 1.66 2h47H1 ARG 46 HD2 0.07 -0.05 -0.03 -0.04 3.22 3.17 2h47H1 ARG 46 HD3 0.00 -0.01 -0.09 -0.04 3.22 3.08 2h47H1 ILE 47 H -0.26 0.45 0.38 -0.55 8.25 8.27 2h47H1 ILE 47 HA -0.08 0.17 0.76 -0.75 4.18 4.27 2h47H1 ILE 47 HB -0.31 -0.00 -0.12 -0.04 1.89 1.42 2h47H1 ILE 47 HG12 -0.01 -0.03 -0.16 -0.04 1.49 1.25 2h47H1 ILE 47 HG13 -0.08 -0.01 -0.32 -0.04 1.21 0.76 2h47H1 ILE 47 HG23 -0.27 -0.01 -0.29 -0.04 0.93 0.32 2h47H1 ILE 47 HD13 -0.13 -0.00 -0.21 -0.04 0.88 0.50 2h47H1 TYR 48 H 0.10 0.77 0.32 -0.55 8.29 8.92 2h47H1 TYR 48 HA 0.03 0.34 1.13 -0.75 4.56 5.30 2h47H1 TYR 48 HB2 -0.02 -0.05 0.02 -0.04 3.06 2.97 2h47H1 TYR 48 HB3 -0.02 0.01 -0.16 -0.04 2.98 2.77 2h47H1 TYR 48 HD2 -0.01 0.10 -0.26 -0.04 7.15 6.93 2h47H1 TYR 48 HE2 0.06 0.02 -0.25 -0.04 6.85 6.64 2h47H1 VAL 49 H 0.10 0.79 0.29 -0.55 8.24 8.86 2h47H1 VAL 49 HA 0.00 0.21 1.01 -0.75 4.13 4.59 2h47H1 VAL 49 HB 0.17 0.03 0.19 -0.04 2.12 2.47 2h47H1 VAL 49 HG13 -0.00 -0.03 -0.34 -0.04 0.97 0.56 2h47H1 VAL 49 HG23 -0.05 0.00 -0.18 -0.04 0.95 0.68 2h47H1 MET 50 H -0.03 0.62 0.21 -0.55 8.47 8.72 2h47H1 MET 50 HA -0.10 0.13 0.67 -0.75 4.52 4.47 2h47H1 MET 50 HB2 -0.06 0.02 0.03 -0.04 2.15 2.10 2h47H1 MET 50 HB3 -0.10 -0.10 0.28 -0.04 2.03 2.06 2h47H1 MET 50 HG2 -0.21 0.00 0.04 -0.04 2.63 2.43 2h47H1 MET 50 HG3 -0.19 -0.08 -0.19 -0.04 2.56 2.06 2h47H1 MET 50 HE3 -0.16 -0.04 -0.34 -0.04 2.10 1.51 2h47H1 ASP 51 H -0.21 0.64 0.39 -0.55 8.40 8.67 2h47H1 ASP 51 HA -0.12 -0.01 0.66 -0.75 4.63 4.41 2h47H1 ASP 51 HB2 -0.31 0.12 0.10 -0.04 2.71 2.58 2h47H1 ASP 51 HB3 -0.31 0.08 0.26 -0.04 2.70 2.69 2h47H1 SER 52 H -0.14 0.42 0.31 -0.55 8.46 8.50 2h47H1 SER 52 HA -0.16 0.14 0.42 -0.75 4.49 4.13 2h47H1 SER 52 HB2 -0.19 -0.00 0.09 -0.04 3.95 3.80 2h47H1 SER 52 HB3 -0.22 0.03 0.18 -0.04 3.93 3.88 2h47H1 VAL 53 H -0.04 -0.01 -0.17 -0.55 8.24 7.47 2h47H1 VAL 53 HA 0.03 -0.06 0.23 -0.75 4.13 3.57 2h47H1 VAL 53 HB 0.04 0.24 -0.26 -0.04 2.12 2.10 2h47H1 VAL 53 HG13 0.11 -0.04 -0.05 -0.04 0.97 0.94 2h47H1 VAL 53 HG23 0.01 0.06 -0.16 -0.04 0.95 0.82 2h47H1 PHE 54 H 0.11 0.08 -0.16 -0.55 8.34 7.81 2h47H1 PHE 54 HA -0.07 0.10 0.30 -0.75 4.62 4.20 2h47H1 PHE 54 HB2 -0.08 -0.00 0.09 -0.04 3.15 3.12 2h47H1 PHE 54 HB3 -0.07 -0.03 0.04 -0.04 3.06 2.96 2h47H1 PHE 54 HD2 -0.05 -0.00 0.03 -0.04 7.28 7.22 2h47H1 PHE 54 HE2 -0.02 0.02 -0.01 -0.04 7.38 7.33 2h47H1 PHE 54 HZ -0.01 0.02 -0.01 -0.04 7.32 7.28 2h47H1 MET 55 H -0.01 0.04 -0.30 -0.55 8.47 7.66 2h47H1 MET 55 HA -0.32 0.07 0.35 -0.75 4.52 3.87 2h47H1 MET 55 HB2 -0.24 -0.02 -0.06 -0.04 2.15 1.79 2h47H1 MET 55 HB3 -0.54 0.04 0.01 -0.04 2.03 1.50 2h47H1 MET 55 HG2 -0.10 -0.08 -0.00 -0.04 2.63 2.40 2h47H1 MET 55 HG3 -0.12 0.03 -0.01 -0.04 2.56 2.42 2h47H1 MET 55 HE3 -0.15 0.01 0.01 -0.04 2.10 1.93 2h47H1 HIS 56 H 0.01 0.61 -0.51 -0.55 8.41 7.97 2h47H1 HIS 56 HA 0.03 0.10 0.62 -0.75 4.63 4.63 2h47H1 HIS 56 HB2 0.02 0.01 0.07 -0.04 3.26 3.33 2h47H1 HIS 56 HB3 0.03 -0.04 0.15 -0.04 3.20 3.30 2h47H1 HIS 56 HD2 0.01 -0.03 -0.12 -0.04 6.97 6.78 2h47H1 HIS 56 HE1 -0.01 -0.02 -0.00 -0.04 7.75 7.67 2h47H1 LEU 57 H 0.12 0.35 -0.03 -0.55 8.37 8.26 2h47H1 LEU 57 HA 0.05 0.33 0.30 -0.75 4.35 4.28 2h47H1 LEU 57 HB2 0.18 0.08 0.18 -0.04 1.64 2.04 2h47H1 LEU 57 HB3 0.28 -0.01 0.06 -0.04 1.64 1.93 2h47H1 LEU 57 HG -0.70 -0.17 0.14 -0.04 1.64 0.87 2h47H1 LEU 57 HD13 -0.19 0.04 0.13 -0.04 0.93 0.87 2h47H1 LEU 57 HD23 -0.06 0.00 0.01 -0.04 0.89 0.80 2h47H1 THR 58 H 0.20 0.05 -0.65 -0.55 8.28 7.33 2h47H1 THR 58 HA 0.40 0.06 0.57 -0.75 4.39 4.67 2h47H1 THR 58 HB 0.09 -0.02 0.10 -0.04 4.32 4.45 2h47H1 THR 58 HG23 0.09 -0.01 -0.05 -0.04 1.22 1.21 2h47H1 GLU 59 H 0.10 0.59 -0.18 -0.55 8.60 8.56 2h47H1 GLU 59 HA 0.03 0.11 0.83 -0.75 4.29 4.51 2h47H1 GLU 59 HB2 0.04 -0.06 -0.10 -0.04 2.09 1.94 2h47H1 GLU 59 HB3 0.05 0.02 0.13 -0.04 1.99 2.16 2h47H1 GLU 59 HG2 0.03 -0.01 0.08 -0.04 2.34 2.40 2h47H1 GLU 59 HG3 0.03 -0.01 0.05 -0.04 2.34 2.37 2h47H1 SER 60 H -0.01 0.79 -0.08 -0.55 8.46 8.61 2h47H1 SER 60 HA -0.04 0.05 0.43 -0.75 4.49 4.17 2h47H1 SER 60 HB2 -0.13 -0.01 0.07 -0.04 3.95 3.85 2h47H1 SER 60 HB3 -0.10 0.10 0.20 -0.04 3.93 4.09 2h47H1 ARG 61 H -0.13 0.48 0.29 -0.55 8.46 8.54 2h47H1 ARG 61 HA -0.10 0.07 0.71 -0.75 4.34 4.26 2h47H1 ARG 61 HB2 -0.03 -0.07 -0.18 -0.04 1.90 1.58 2h47H1 ARG 61 HB3 -0.01 0.08 -0.31 -0.04 1.80 1.52 2h47H1 ARG 61 HG2 -0.37 -0.05 -0.40 -0.04 1.67 0.81 2h47H1 ARG 61 HG3 0.20 -0.00 -0.19 -0.04 1.67 1.63 2h47H1 ARG 61 HD2 -0.07 -0.01 0.04 -0.04 3.22 3.14 2h47H1 ARG 61 HD3 0.02 -0.08 -0.04 -0.04 3.22 3.07 2h47H1 VAL 62 H -0.11 0.44 0.14 -0.55 8.24 8.16 2h47H1 VAL 62 HA -0.11 0.19 1.01 -0.75 4.13 4.46 2h47H1 VAL 62 HB -0.09 -0.07 0.13 -0.04 2.12 2.05 2h47H1 VAL 62 HG13 0.10 -0.00 -0.31 -0.04 0.97 0.71 2h47H1 VAL 62 HG23 -0.11 0.02 -0.21 -0.04 0.95 0.61 2h47H1 HIS 63 H -0.04 0.62 0.34 -0.55 8.41 8.78 2h47H1 HIS 63 HA -0.00 0.17 0.94 -0.75 4.63 4.98 2h47H1 HIS 63 HB2 0.27 -0.04 0.23 -0.04 3.26 3.69 2h47H1 HIS 63 HB3 0.38 0.02 0.05 -0.04 3.20 3.62 2h47H1 HIS 63 HD2 0.22 0.02 -0.20 -0.04 6.97 6.97 2h47H1 HIS 63 HE1 0.07 -0.10 -0.03 -0.04 7.75 7.66 2h47H1 VAL 64 H -0.41 0.88 0.47 -0.55 8.24 8.63 2h47H1 VAL 64 HA -0.28 0.26 1.07 -0.75 4.13 4.43 2h47H1 VAL 64 HB -0.34 -0.11 0.10 -0.04 2.12 1.74 2h47H1 VAL 64 HG13 -0.32 0.01 -0.15 -0.04 0.97 0.47 2h47H1 VAL 64 HG23 0.00 0.02 -0.25 -0.04 0.95 0.69 2h47H1 TYR 65 H -0.09 0.51 0.32 -0.55 8.29 8.49 2h47H1 TYR 65 HA -0.18 0.29 1.03 -0.75 4.56 4.94 2h47H1 TYR 65 HB2 -0.10 -0.02 -0.09 -0.04 3.06 2.81 2h47H1 TYR 65 HB3 -0.06 -0.09 -0.21 -0.04 2.98 2.58 2h47H1 TYR 65 HD2 -0.01 0.02 -0.44 -0.04 7.15 6.68 2h47H1 TYR 65 HE2 0.15 0.11 -0.04 -0.04 6.85 7.02 2h47H1 ASP 66 H 0.07 0.34 -0.02 -0.55 8.40 8.24 2h47H1 ASP 66 HA -0.09 0.40 0.68 -0.75 4.63 4.86 2h47H1 ASP 66 HB2 -0.08 0.11 -0.05 -0.04 2.71 2.65 2h47H1 ASP 66 HB3 -0.04 -0.18 0.21 -0.04 2.70 2.66 2h47H1 TYR 67 H 0.07 0.51 0.01 -0.55 8.29 8.33 2h47H1 TYR 67 HA -0.02 -0.01 0.20 -0.75 4.56 3.98 2h47H1 TYR 67 HB2 -0.02 -0.02 0.00 -0.04 3.06 2.97 2h47H1 TYR 67 HB3 -0.10 0.01 -0.05 -0.04 2.98 2.81 2h47H1 TYR 67 HD2 0.07 0.04 -0.31 -0.04 7.15 6.90 2h47H1 TYR 67 HE2 0.18 0.11 -0.06 -0.04 6.85 7.03 2h47H1 THR 68 H -0.37 0.06 -0.69 -0.55 8.28 6.73 2h47H1 THR 68 HA -0.05 0.14 0.51 -0.75 4.39 4.23 2h47H1 THR 68 HB -0.12 0.03 0.03 -0.04 4.32 4.22 2h47H1 THR 68 HG23 -0.54 0.01 -0.02 -0.04 1.22 0.62 2h47H1 ASN 69 H -0.05 0.34 0.05 -0.55 8.53 8.33 2h47H1 ASN 69 HA -0.00 0.25 0.79 -0.75 4.76 5.05 2h47H1 ASN 69 HB2 -0.01 0.01 0.13 -0.04 2.88 2.98 2h47H1 ASN 69 HB3 -0.02 0.06 -0.10 -0.04 2.79 2.68 2h47H1 ASN 69 HD21 -0.04 0.01 -0.04 -0.04 7.03 6.92 2h47H1 ASN 69 HD22 -0.03 0.04 -0.04 -0.04 7.74 7.67 2h47H1 GLY 70 H 0.04 0.44 0.09 -0.55 8.43 8.45 2h47H1 GLY 70 HA2 0.12 -0.04 0.16 -0.51 4.01 3.75 2h47H1 GLY 70 HA3 0.07 0.09 0.31 -0.51 4.01 3.97 2h47H1 LYS 71 H 0.05 0.01 -0.38 -0.55 8.42 7.54 2h47H1 LYS 71 HA 0.07 0.10 0.51 -0.75 4.32 4.24 2h47H1 LYS 71 HB2 0.01 0.05 -0.01 -0.04 1.87 1.88 2h47H1 LYS 71 HB3 -0.02 -0.10 0.03 -0.04 1.79 1.66 2h47H1 LYS 71 HG2 -0.03 0.17 -0.34 -0.04 1.46 1.21 2h47H1 LYS 71 HG3 0.00 0.00 -0.00 -0.04 1.46 1.42 2h47H1 LYS 71 HD2 -0.01 -0.01 -0.03 -0.04 1.69 1.60 2h47H1 LYS 71 HD3 -0.03 -0.06 -0.07 -0.04 1.68 1.47 2h47H1 LYS 71 HE2 -0.03 0.03 -0.04 -0.04 2.99 2.91 2h47H1 LYS 71 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.93 2h47H1 PHE 72 H 0.06 0.14 0.20 -0.55 8.34 8.18 2h47H1 PHE 72 HA -0.95 0.07 0.51 -0.75 4.62 3.50 2h47H1 PHE 72 HB2 -0.34 0.05 0.14 -0.04 3.15 2.96 2h47H1 PHE 72 HB3 -0.22 -0.03 0.15 -0.04 3.06 2.93 2h47H1 PHE 72 HD2 -0.51 0.02 -0.12 -0.04 7.28 6.64 2h47H1 PHE 72 HE2 -0.35 -0.01 -0.07 -0.04 7.38 6.91 2h47H1 PHE 72 HZ -0.12 -0.03 -0.16 -0.04 7.32 6.97 2h47H1 LEU 73 H -0.82 0.97 0.54 -0.55 8.37 8.52 2h47H1 LEU 73 HA -0.19 0.15 0.96 -0.75 4.35 4.51 2h47H1 LEU 73 HB2 -0.30 0.04 -0.11 -0.04 1.64 1.23 2h47H1 LEU 73 HB3 -0.16 -0.10 -0.01 -0.04 1.64 1.32 2h47H1 LEU 73 HG -0.21 0.09 -0.22 -0.04 1.64 1.26 2h47H1 LEU 73 HD13 -0.12 -0.02 -0.30 -0.04 0.93 0.45 2h47H1 LEU 73 HD23 -0.10 -0.03 -0.24 -0.04 0.89 0.48 2h47H1 GLY 74 H -1.07 0.28 0.34 -0.55 8.43 7.44 2h47H1 GLY 74 HA2 -0.15 0.05 0.32 -0.51 4.01 3.72 2h47H1 GLY 74 HA3 -0.15 0.16 0.54 -0.51 4.01 4.05 2h47H1 MET 75 H -0.00 0.33 0.25 -0.55 8.47 8.50 2h47H1 MET 75 HA -0.02 0.33 0.89 -0.75 4.52 4.97 2h47H1 MET 75 HB2 0.19 -0.04 -0.02 -0.04 2.15 2.23 2h47H1 MET 75 HB3 0.35 -0.02 -0.18 -0.04 2.03 2.14 2h47H1 MET 75 HG2 0.20 -0.06 -0.06 -0.04 2.63 2.66 2h47H1 MET 75 HG3 0.09 0.04 -0.23 -0.04 2.56 2.43 2h47H1 MET 75 HE3 0.08 -0.01 -0.16 -0.04 2.10 1.98 2h47H1 VAL 76 H -0.09 0.34 0.22 -0.55 8.24 8.16 2h47H1 VAL 76 HA -0.42 0.25 0.87 -0.75 4.13 4.08 2h47H1 VAL 76 HB -0.39 -0.08 0.04 -0.04 2.12 1.65 2h47H1 VAL 76 HG13 -1.85 0.04 -0.21 -0.04 0.97 -1.09 2h47H1 VAL 76 HG23 -0.26 0.01 -0.28 -0.04 0.95 0.38 2h47H1 PRO 77 HA -0.05 0.07 0.54 -0.51 4.44 4.49 2h47H1 PRO 77 HB2 0.07 -0.01 0.02 -0.04 2.28 2.31 2h47H1 PRO 77 HB3 0.05 0.04 0.08 -0.04 2.02 2.14 2h47H1 PRO 77 HG2 0.19 0.01 0.09 -0.04 2.03 2.28 2h47H1 PRO 77 HG3 0.20 0.04 0.06 -0.04 2.03 2.29 2h47H1 PRO 77 HD2 -0.33 0.13 0.21 -0.04 3.68 3.65 2h47H1 PRO 77 HD3 -0.00 0.15 0.07 -0.04 3.65 3.83 2h47H1 THR 78 H -0.06 0.81 0.29 -0.55 8.28 8.77 2h47H1 THR 78 HA -0.01 0.14 0.75 -0.75 4.39 4.52 2h47H1 THR 78 HB -0.08 -0.02 0.04 -0.04 4.32 4.22 2h47H1 THR 78 HG23 -0.12 0.03 -0.31 -0.04 1.22 0.78 2h47H1 ALA 79 H -0.03 0.02 -0.13 -0.55 8.40 7.72 2h47H1 ALA 79 HA -0.04 0.09 0.34 -0.75 4.34 3.98 2h47H1 ALA 79 HB3 -0.35 0.01 0.02 -0.04 1.41 1.05 2h47H1 PHE 80 H -0.01 0.12 0.26 -0.55 8.34 8.15 2h47H1 PHE 80 HA -0.03 0.36 0.92 -0.75 4.62 5.11 2h47H1 PHE 80 HB2 -0.02 -0.05 0.18 -0.04 3.15 3.22 2h47H1 PHE 80 HB3 -0.04 0.04 0.24 -0.04 3.06 3.26 2h47H1 PHE 80 HD2 0.03 -0.04 -0.23 -0.04 7.28 7.00 2h47H1 PHE 80 HE2 0.06 -0.03 -0.09 -0.04 7.38 7.27 2h47H1 PHE 80 HZ 0.06 -0.03 -0.06 -0.04 7.32 7.25 2h47H1 ASN 81 H -0.54 0.43 0.34 -0.55 8.53 8.21 2h47H1 ASN 81 HA -0.36 -0.04 0.42 -0.75 4.76 4.02 2h47H1 ASN 81 HB2 -0.97 -0.07 0.07 -0.04 2.88 1.88 2h47H1 ASN 81 HB3 -0.66 0.04 -0.08 -0.04 2.79 2.05 2h47H1 ASN 81 HD21 -0.15 0.21 -0.10 -0.04 7.03 6.96 2h47H1 ASN 81 HD22 -0.29 -0.05 -0.00 -0.04 7.74 7.36 2h47H1 GLY 82 H -0.18 0.02 -0.18 -0.55 8.43 7.54 2h47H1 GLY 82 HA2 -0.08 0.34 0.81 -0.51 4.01 4.57 2h47H1 GLY 82 HA3 -0.12 -0.04 0.28 -0.51 4.01 3.62 2h47H1 HIS 83 H -0.10 0.63 0.47 -0.55 8.41 8.87 2h47H1 HIS 83 HA -0.13 0.09 0.84 -0.75 4.63 4.67 2h47H1 HIS 83 HB2 -0.58 0.01 0.12 -0.04 3.26 2.78 2h47H1 HIS 83 HB3 -0.35 -0.01 0.00 -0.04 3.20 2.80 2h47H1 HIS 83 HD2 -0.00 -0.02 -0.05 -0.04 6.97 6.85 2h47H1 HIS 83 HE1 -0.03 0.10 -0.08 -0.04 7.75 7.69 2h47H1 VAL 84 H 0.09 0.23 0.18 -0.55 8.24 8.19 2h47H1 VAL 84 HA 0.28 0.33 0.92 -0.75 4.13 4.91 2h47H1 VAL 84 HB -0.02 0.02 -0.36 -0.04 2.12 1.71 2h47H1 VAL 84 HG13 -0.01 -0.03 -0.22 -0.04 0.97 0.68 2h47H1 VAL 84 HG23 -0.04 0.01 -0.10 -0.04 0.95 0.79 2h47H1 GLN 85 H 0.15 0.68 0.36 -0.55 8.47 9.12 2h47H1 GLN 85 HA -0.02 0.07 0.50 -0.75 4.36 4.15 2h47H1 GLN 85 HB2 -0.05 -0.03 0.14 -0.04 2.15 2.17 2h47H1 GLN 85 HB3 0.08 0.24 -0.01 -0.04 2.02 2.29 2h47H1 GLN 85 HG2 -0.11 0.01 -0.24 -0.04 2.40 2.02 2h47H1 GLN 85 HG3 0.01 -0.13 -0.33 -0.04 2.39 1.89 2h47H1 GLN 85 HE21 -0.58 0.21 -0.50 -0.04 6.97 6.06 2h47H1 GLN 85 HE22 -1.75 -0.04 -0.34 -0.04 7.69 5.51 2h47H1 VAL 86 H -0.16 0.23 0.18 -0.55 8.24 7.94 2h47H1 VAL 86 HA -0.39 0.16 1.16 -0.75 4.13 4.31 2h47H1 VAL 86 HB -0.30 0.03 0.11 -0.04 2.12 1.92 2h47H1 VAL 86 HG13 -0.54 0.06 0.02 -0.04 0.97 0.46 2h47H1 VAL 86 HG23 -0.66 -0.01 -0.15 -0.04 0.95 0.10 2h47H1 SER 87 H -0.54 0.60 0.25 -0.55 8.46 8.23 2h47H1 SER 87 HA -0.28 0.09 0.43 -0.75 4.49 3.98 2h47H1 SER 87 HB2 -0.17 0.03 0.07 -0.04 3.95 3.84 2h47H1 SER 87 HB3 -0.88 0.09 0.05 -0.04 3.93 3.15 2h47H1 ASN 88 H -0.05 0.18 0.21 -0.55 8.53 8.33 2h47H1 ASN 88 HA -0.05 0.12 0.40 -0.75 4.76 4.47 2h47H1 ASN 88 HB2 -0.02 -0.04 0.10 -0.04 2.88 2.89 2h47H1 ASN 88 HB3 -0.01 0.05 0.06 -0.04 2.79 2.85 2h47H1 ASN 88 HD21 -0.00 0.14 0.09 -0.04 7.03 7.22 2h47H1 ASN 88 HD22 -0.00 0.04 0.03 -0.04 7.74 7.77 2h47H1 ASP 89 H -0.04 0.02 -0.31 -0.55 8.40 7.52 2h47H1 ASP 89 HA 0.00 0.17 0.52 -0.75 4.63 4.57 2h47H1 ASP 89 HB2 0.00 0.04 0.09 -0.04 2.71 2.80 2h47H1 ASP 89 HB3 -0.01 0.04 0.04 -0.04 2.70 2.73 2h47H1 GLY 90 H -0.08 0.72 -0.45 -0.55 8.43 8.07 2h47H1 GLY 90 HA2 -0.17 0.09 0.28 -0.51 4.01 3.70 2h47H1 GLY 90 HA3 0.13 0.11 0.27 -0.51 4.01 4.02 2h47H1 LYS 91 H -0.05 -0.05 -0.22 -0.55 8.42 7.55 2h47H1 LYS 91 HA 0.06 0.22 0.90 -0.75 4.32 4.74 2h47H1 LYS 91 HB2 -0.01 -0.04 -0.03 -0.04 1.87 1.75 2h47H1 LYS 91 HB3 0.01 -0.03 0.07 -0.04 1.79 1.80 2h47H1 LYS 91 HG2 0.03 0.05 -0.08 -0.04 1.46 1.42 2h47H1 LYS 91 HG3 0.01 0.11 -0.20 -0.04 1.46 1.35 2h47H1 LYS 91 HD2 0.01 -0.02 -0.04 -0.04 1.69 1.59 2h47H1 LYS 91 HD3 0.01 -0.03 -0.01 -0.04 1.68 1.61 2h47H1 LYS 91 HE2 0.01 0.01 -0.02 -0.04 2.99 2.96 2h47H1 LYS 91 HE3 0.01 0.03 -0.02 -0.04 2.99 2.97 2h47H1 LYS 92 H -0.15 0.02 0.11 -0.55 8.42 7.85 2h47H1 LYS 92 HA -0.02 0.14 1.08 -0.75 4.32 4.77 2h47H1 LYS 92 HB2 -0.25 -0.10 -0.03 -0.04 1.87 1.45 2h47H1 LYS 92 HB3 -0.00 0.14 -0.00 -0.04 1.79 1.89 2h47H1 LYS 92 HG2 -0.01 -0.17 -0.43 -0.04 1.46 0.80 2h47H1 LYS 92 HG3 0.06 0.05 -0.14 -0.04 1.46 1.38 2h47H1 LYS 92 HD2 0.05 0.05 -0.23 -0.04 1.69 1.51 2h47H1 LYS 92 HD3 0.03 0.07 0.06 -0.04 1.68 1.80 2h47H1 LYS 92 HE2 0.01 -0.03 -0.11 -0.04 2.99 2.82 2h47H1 LYS 92 HE3 0.01 0.03 -0.11 -0.04 2.99 2.89 2h47H1 ILE 93 H 0.04 0.92 0.28 -0.55 8.25 8.94 2h47H1 ILE 93 HA -0.27 0.15 1.05 -0.75 4.18 4.37 2h47H1 ILE 93 HB 0.09 -0.04 -0.02 -0.04 1.89 1.88 2h47H1 ILE 93 HG12 -0.31 0.03 -0.16 -0.04 1.49 1.01 2h47H1 ILE 93 HG13 -0.04 -0.14 -0.39 -0.04 1.21 0.60 2h47H1 ILE 93 HG23 -0.13 0.02 -0.24 -0.04 0.93 0.53 2h47H1 ILE 93 HD13 0.05 0.02 -0.17 -0.04 0.88 0.74 2h47H1 TYR 94 H -0.09 0.65 0.28 -0.55 8.29 8.58 2h47H1 TYR 94 HA 0.19 0.27 1.00 -0.75 4.56 5.27 2h47H1 TYR 94 HB2 -0.05 -0.02 -0.02 -0.04 3.06 2.93 2h47H1 TYR 94 HB3 0.07 0.05 -0.10 -0.04 2.98 2.96 2h47H1 TYR 94 HD2 -0.05 0.10 -0.25 -0.04 7.15 6.91 2h47H1 TYR 94 HE2 -0.05 -0.00 -0.14 -0.04 6.85 6.62 2h47H1 THR 95 H 0.42 0.68 0.40 -0.55 8.28 9.24 2h47H1 THR 95 HA 0.22 0.33 1.16 -0.75 4.39 5.35 2h47H1 THR 95 HB 0.06 0.06 0.05 -0.04 4.32 4.45 2h47H1 THR 95 HG23 -0.09 -0.00 -0.26 -0.04 1.22 0.83 2h47H1 MET 96 H -0.14 0.62 0.37 -0.55 8.47 8.77 2h47H1 MET 96 HA 0.02 0.29 1.07 -0.75 4.52 5.14 2h47H1 MET 96 HB2 -0.73 -0.04 -0.07 -0.04 2.15 1.28 2h47H1 MET 96 HB3 -0.98 -0.07 0.10 -0.04 2.03 1.05 2h47H1 MET 96 HG2 -0.21 0.07 -0.17 -0.04 2.63 2.28 2h47H1 MET 96 HG3 -0.08 0.09 0.06 -0.04 2.56 2.60 2h47H1 MET 96 HE3 -0.50 0.04 0.03 -0.04 2.10 1.63 2h47H1 THR 97 H 0.07 0.46 0.34 -0.55 8.28 8.60 2h47H1 THR 97 HA -0.00 0.32 0.61 -0.75 4.39 4.56 2h47H1 THR 97 HB -0.03 0.07 -0.21 -0.04 4.32 4.11 2h47H1 THR 97 HG23 0.09 -0.06 -0.31 -0.04 1.22 0.90 2h47H1 THR 98 H 0.03 0.37 0.20 -0.55 8.28 8.33 2h47H1 THR 98 HA 0.11 0.15 0.93 -0.75 4.39 4.83 2h47H1 THR 98 HB 0.27 0.02 0.05 -0.04 4.32 4.61 2h47H1 THR 98 HG23 0.01 -0.03 -0.21 -0.04 1.22 0.94 2h47H1 TYR 99 H 0.18 0.43 0.18 -0.55 8.29 8.53 2h47H1 TYR 99 HA 0.06 0.20 0.97 -0.75 4.56 5.03 2h47H1 TYR 99 HB2 -0.02 0.03 0.04 -0.04 3.06 3.07 2h47H1 TYR 99 HB3 0.00 -0.02 0.01 -0.04 2.98 2.93 2h47H1 TYR 99 HD2 0.03 0.05 -0.12 -0.04 7.15 7.07 2h47H1 TYR 99 HE2 0.05 -0.00 -0.15 -0.04 6.85 6.71 2h47H1 HIS 100 H 0.21 0.27 0.15 -0.55 8.41 8.50 2h47H1 HIS 100 HA 0.04 0.43 0.69 -0.75 4.63 5.04 2h47H1 HIS 100 HB2 -0.01 -0.02 0.08 -0.04 3.26 3.27 2h47H1 HIS 100 HB3 -0.00 -0.05 -0.27 -0.04 3.20 2.83 2h47H1 HIS 100 HD2 -0.09 -0.01 -0.27 -0.04 6.97 6.55 2h47H1 HIS 100 HE1 -0.01 -0.04 -0.06 -0.04 7.75 7.59 2h47H1 GLU 101 H 0.08 0.49 0.04 -0.55 8.60 8.66 2h47H1 GLU 101 HA 0.05 0.04 0.32 -0.75 4.29 3.95 2h47H1 GLU 101 HB2 0.04 -0.08 0.09 -0.04 2.09 2.11 2h47H1 GLU 101 HB3 0.03 0.02 0.08 -0.04 1.99 2.08 2h47H1 GLU 101 HG2 0.01 0.03 0.06 -0.04 2.34 2.40 2h47H1 GLU 101 HG3 0.03 0.17 0.12 -0.04 2.34 2.62 2h47H1 ARG 102 H 0.09 0.15 -0.57 -0.55 8.46 7.57 2h47H1 ARG 102 HA 0.03 0.19 0.84 -0.75 4.34 4.65 2h47H1 ARG 102 HB2 0.02 0.24 -0.04 -0.04 1.90 2.07 2h47H1 ARG 102 HB3 0.01 -0.07 0.15 -0.04 1.80 1.85 2h47H1 ARG 102 HG2 0.02 -0.06 -0.42 -0.04 1.67 1.17 2h47H1 ARG 102 HG3 0.01 -0.06 -0.09 -0.04 1.67 1.49 2h47H1 ARG 102 HD2 0.01 -0.05 0.07 -0.04 3.22 3.20 2h47H1 ARG 102 HD3 0.02 0.20 0.21 -0.04 3.22 3.61 2h47H1 ILE 103 H 0.10 0.72 -0.01 -0.55 8.25 8.51 2h47H1 ILE 103 HA 0.07 0.01 0.44 -0.75 4.18 3.94 2h47H1 ILE 103 HB -0.01 0.13 0.24 -0.04 1.89 2.21 2h47H1 ILE 103 HG12 0.05 0.01 0.01 -0.04 1.49 1.52 2h47H1 ILE 103 HG13 0.04 -0.05 -0.37 -0.04 1.21 0.80 2h47H1 ILE 103 HG23 -0.02 -0.00 -0.06 -0.04 0.93 0.80 2h47H1 ILE 103 HD13 0.02 0.00 -0.05 -0.04 0.88 0.82 2h47H1 THR 104 H -0.05 0.68 0.20 -0.55 8.28 8.57 2h47H1 THR 104 HA -0.20 0.20 0.79 -0.75 4.39 4.42 2h47H1 THR 104 HB -0.08 -0.02 0.18 -0.04 4.32 4.36 2h47H1 THR 104 HG23 -0.07 -0.01 -0.03 -0.04 1.22 1.08 2h47H1 ARG 105 H -0.08 0.15 -0.55 -0.55 8.46 7.44 2h47H1 ARG 105 HA -0.08 0.09 0.32 -0.75 4.34 3.92 2h47H1 ARG 105 HB2 -0.02 -0.06 0.04 -0.04 1.90 1.82 2h47H1 ARG 105 HB3 -0.04 0.24 -0.02 -0.04 1.80 1.94 2h47H1 ARG 105 HG2 -0.02 -0.03 -0.25 -0.04 1.67 1.33 2h47H1 ARG 105 HG3 -0.00 -0.04 -0.26 -0.04 1.67 1.32 2h47H1 ARG 105 HD2 -0.01 -0.02 -0.08 -0.04 3.22 3.07 2h47H1 ARG 105 HD3 -0.02 0.04 -0.10 -0.04 3.22 3.10 2h47H1 GLY 106 H 0.02 0.14 0.04 -0.55 8.43 8.08 2h47H1 GLY 106 HA2 0.04 0.03 0.33 -0.51 4.01 3.90 2h47H1 GLY 106 HA3 0.05 0.13 0.70 -0.51 4.01 4.38 2h47H1 LYS 107 H 0.04 0.10 0.14 -0.55 8.42 8.15 2h47H1 LYS 107 HA 0.04 0.02 0.42 -0.75 4.32 4.04 2h47H1 LYS 107 HB2 0.02 0.00 0.15 -0.04 1.87 2.00 2h47H1 LYS 107 HB3 0.02 -0.07 0.14 -0.04 1.79 1.84 2h47H1 LYS 107 HG2 -0.02 0.18 -0.34 -0.04 1.46 1.24 2h47H1 LYS 107 HG3 -0.00 0.01 0.04 -0.04 1.46 1.46 2h47H1 LYS 107 HD2 -0.01 0.05 -0.04 -0.04 1.69 1.65 2h47H1 LYS 107 HD3 -0.00 -0.03 0.01 -0.04 1.68 1.62 2h47H1 LYS 107 HE2 -0.00 -0.10 -0.01 -0.04 2.99 2.84 2h47H1 LYS 107 HE3 -0.02 0.02 -0.16 -0.04 2.99 2.80 2h47H1 ARG 108 H -0.01 0.08 0.23 -0.55 8.46 8.22 2h47H1 ARG 108 HA -0.56 0.29 0.86 -0.75 4.34 4.17 2h47H1 ARG 108 HB2 -0.15 0.04 0.09 -0.04 1.90 1.84 2h47H1 ARG 108 HB3 -0.05 -0.05 0.18 -0.04 1.80 1.84 2h47H1 ARG 108 HG2 -0.10 -0.10 -0.24 -0.04 1.67 1.19 2h47H1 ARG 108 HG3 -0.34 0.03 0.00 -0.04 1.67 1.33 2h47H1 ARG 108 HD2 0.09 0.02 -0.03 -0.04 3.22 3.25 2h47H1 ARG 108 HD3 0.02 0.01 0.01 -0.04 3.22 3.22 2h47H1 SER 109 H -0.18 0.60 0.23 -0.55 8.46 8.55 2h47H1 SER 109 HA -0.04 0.18 0.87 -0.75 4.49 4.74 2h47H1 SER 109 HB2 0.01 -0.08 0.07 -0.04 3.95 3.90 2h47H1 SER 109 HB3 -0.02 0.02 -0.04 -0.04 3.93 3.85 2h47H1 ASP 110 H -0.02 0.17 0.07 -0.55 8.40 8.09 2h47H1 ASP 110 HA 0.07 0.22 0.87 -0.75 4.63 5.04 2h47H1 ASP 110 HB2 -0.01 0.01 -0.07 -0.04 2.71 2.60 2h47H1 ASP 110 HB3 0.03 0.07 0.03 -0.04 2.70 2.79 2h47H1 VAL 111 H 0.12 0.54 0.35 -0.55 8.24 8.70 2h47H1 VAL 111 HA 0.08 0.27 0.87 -0.75 4.13 4.59 2h47H1 VAL 111 HB 0.11 -0.05 -0.09 -0.04 2.12 2.05 2h47H1 VAL 111 HG13 0.04 0.01 -0.51 -0.04 0.97 0.47 2h47H1 VAL 111 HG23 0.24 -0.01 -0.28 -0.04 0.95 0.86 2h47H1 VAL 112 H 0.13 0.47 0.25 -0.55 8.24 8.54 2h47H1 VAL 112 HA 0.21 0.36 1.10 -0.75 4.13 5.05 2h47H1 VAL 112 HB 0.13 -0.04 0.09 -0.04 2.12 2.27 2h47H1 VAL 112 HG13 0.12 -0.01 -0.24 -0.04 0.97 0.80 2h47H1 VAL 112 HG23 0.29 -0.00 -0.12 -0.04 0.95 1.07 2h47H1 GLU 113 H 0.32 0.53 0.21 -0.55 8.60 9.12 2h47H1 GLU 113 HA 0.30 0.28 1.13 -0.75 4.29 5.24 2h47H1 GLU 113 HB2 0.63 -0.01 0.04 -0.04 2.09 2.70 2h47H1 GLU 113 HB3 0.75 -0.02 -0.06 -0.04 1.99 2.62 2h47H1 GLU 113 HG2 0.53 0.01 -0.07 -0.04 2.34 2.76 2h47H1 GLU 113 HG3 0.36 -0.06 -0.28 -0.04 2.34 2.32 2h47H1 VAL 114 H 0.07 0.64 0.34 -0.55 8.24 8.74 2h47H1 VAL 114 HA 0.42 0.26 1.01 -0.75 4.13 5.06 2h47H1 VAL 114 HB -0.01 -0.06 0.15 -0.04 2.12 2.16 2h47H1 VAL 114 HG13 0.26 -0.01 -0.17 -0.04 0.97 1.01 2h47H1 VAL 114 HG23 0.04 0.03 -0.17 -0.04 0.95 0.81 2h47H1 TRP 115 H 0.50 0.78 0.33 -0.55 7.97 9.04 2h47H1 TRP 115 HA 0.01 0.20 1.05 -0.75 4.62 5.12 2h47H1 TRP 115 HB2 0.07 -0.01 -0.02 -0.04 3.23 3.23 2h47H1 TRP 115 HB3 0.08 0.05 -0.18 -0.04 3.23 3.14 2h47H1 TRP 115 HD1 0.19 0.06 -0.43 -0.04 7.22 7.00 2h47H1 TRP 115 HE1 0.30 -0.00 -0.15 -0.04 10.20 10.30 2h47H1 TRP 115 HE3 0.12 0.01 -0.82 -0.04 7.59 6.85 2h47H1 TRP 115 HZ2 0.15 0.03 -0.06 -0.04 7.44 7.52 2h47H1 TRP 115 HZ3 0.13 0.16 0.04 -0.04 7.13 7.42 2h47H1 TRP 115 HH2 0.11 -0.00 0.02 -0.04 7.19 7.28 2h47H1 ASP 116 H 0.15 0.53 0.26 -0.55 8.40 8.79 2h47H1 ASP 116 HA 0.07 0.14 0.64 -0.75 4.63 4.73 2h47H1 ASP 116 HB2 0.03 0.12 0.12 -0.04 2.71 2.94 2h47H1 ASP 116 HB3 0.09 -0.15 0.16 -0.04 2.70 2.76 2h47H1 ALA 117 H 0.07 0.63 0.30 -0.55 8.40 8.86 2h47H1 ALA 117 HA 0.12 0.10 0.29 -0.75 4.34 4.10 2h47H1 ALA 117 HB3 0.14 -0.00 -0.24 -0.04 1.41 1.27 2h47H1 ASP 118 H 0.08 0.10 0.02 -0.55 8.40 8.06 2h47H1 ASP 118 HA 0.07 0.19 0.61 -0.75 4.63 4.74 2h47H1 ASP 118 HB2 0.05 -0.03 0.10 -0.04 2.71 2.79 2h47H1 ASP 118 HB3 0.04 0.02 0.04 -0.04 2.70 2.76 2h47H1 LYS 119 H 0.08 -0.04 -0.19 -0.55 8.42 7.71 2h47H1 LYS 119 HA 0.08 0.29 0.64 -0.75 4.32 4.58 2h47H1 LYS 119 HB2 0.07 -0.12 0.01 -0.04 1.87 1.79 2h47H1 LYS 119 HB3 0.07 0.05 -0.05 -0.04 1.79 1.81 2h47H1 LYS 119 HG2 0.04 -0.11 -0.10 -0.04 1.46 1.25 2h47H1 LYS 119 HG3 0.03 0.00 -0.04 -0.04 1.46 1.41 2h47H1 LYS 119 HD2 0.03 0.02 -0.18 -0.04 1.69 1.52 2h47H1 LYS 119 HD3 0.04 0.08 -0.34 -0.04 1.68 1.43 2h47H1 LYS 119 HE2 0.02 -0.09 -0.09 -0.04 2.99 2.78 2h47H1 LYS 119 HE3 0.00 -0.02 -0.04 -0.04 2.99 2.89 2h47H1 LEU 120 H 0.15 0.18 -0.34 -0.55 8.37 7.81 2h47H1 LEU 120 HA 0.25 0.12 0.23 -0.75 4.35 4.20 2h47H1 LEU 120 HB2 0.14 0.22 0.05 -0.04 1.64 2.01 2h47H1 LEU 120 HB3 0.14 0.01 0.16 -0.04 1.64 1.91 2h47H1 LEU 120 HG 0.08 0.04 -0.41 -0.04 1.64 1.32 2h47H1 LEU 120 HD13 0.01 -0.01 -0.08 -0.04 0.93 0.80 2h47H1 LEU 120 HD23 0.11 0.00 -0.09 -0.04 0.89 0.87 2h47H1 THR 121 H 0.25 -0.02 -0.04 -0.55 8.28 7.92 2h47H1 THR 121 HA 0.34 0.26 1.00 -0.75 4.39 5.24 2h47H1 THR 121 HB 0.01 0.08 0.04 -0.04 4.32 4.41 2h47H1 THR 121 HG23 0.11 0.04 -0.22 -0.04 1.22 1.11 2h47H1 PHE 122 H -0.43 0.16 0.15 -0.55 8.34 7.67 2h47H1 PHE 122 HA -1.87 0.05 0.52 -0.75 4.62 2.57 2h47H1 PHE 122 HB2 -1.98 0.05 0.05 -0.04 3.15 1.23 2h47H1 PHE 122 HB3 -0.67 -0.00 0.12 -0.04 3.06 2.46 2h47H1 PHE 122 HD2 -0.54 0.01 -0.14 -0.04 7.28 6.58 2h47H1 PHE 122 HE2 -0.11 0.05 -0.22 -0.04 7.38 7.06 2h47H1 PHE 122 HZ -0.11 -0.03 -0.27 -0.04 7.32 6.87 2h47H1 GLU 123 H -1.14 0.28 0.36 -0.55 8.60 7.56 2h47H1 GLU 123 HA -0.52 0.20 1.02 -0.75 4.29 4.24 2h47H1 GLU 123 HB2 -0.28 0.16 0.09 -0.04 2.09 2.01 2h47H1 GLU 123 HB3 -0.23 -0.04 0.06 -0.04 1.99 1.74 2h47H1 GLU 123 HG2 -0.17 0.05 -0.16 -0.04 2.34 2.02 2h47H1 GLU 123 HG3 -0.18 0.02 -0.19 -0.04 2.34 1.94 2h47H1 LYS 124 H -1.12 0.15 0.30 -0.55 8.42 7.20 2h47H1 LYS 124 HA -0.32 0.10 0.72 -0.75 4.32 4.07 2h47H1 LYS 124 HB2 -0.21 0.10 -0.47 -0.04 1.87 1.25 2h47H1 LYS 124 HB3 -0.15 -0.09 0.01 -0.04 1.79 1.52 2h47H1 LYS 124 HG2 -0.05 0.04 -0.13 -0.04 1.46 1.28 2h47H1 LYS 124 HG3 -0.08 0.03 0.10 -0.04 1.46 1.47 2h47H1 LYS 124 HD2 -0.07 -0.02 -0.04 -0.04 1.69 1.52 2h47H1 LYS 124 HD3 -0.05 -0.07 -0.07 -0.04 1.68 1.46 2h47H1 LYS 124 HE2 -0.02 0.00 0.00 -0.04 2.99 2.93 2h47H1 LYS 124 HE3 -0.03 -0.00 0.02 -0.04 2.99 2.93 2h47H1 GLU 125 H 0.06 0.25 0.19 -0.55 8.60 8.55 2h47H1 GLU 125 HA 0.21 0.21 1.00 -0.75 4.29 4.96 2h47H1 GLU 125 HB2 0.35 -0.02 -0.09 -0.04 2.09 2.29 2h47H1 GLU 125 HB3 0.15 -0.01 0.07 -0.04 1.99 2.16 2h47H1 GLU 125 HG2 0.07 0.01 -0.39 -0.04 2.34 1.98 2h47H1 GLU 125 HG3 0.10 -0.00 -0.15 -0.04 2.34 2.26 2h47H1 ILE 126 H 0.11 0.57 0.25 -0.55 8.25 8.64 2h47H1 ILE 126 HA 0.05 0.22 1.08 -0.75 4.18 4.78 2h47H1 ILE 126 HB 0.08 -0.04 0.10 -0.04 1.89 1.99 2h47H1 ILE 126 HG12 0.02 0.20 -0.15 -0.04 1.49 1.52 2h47H1 ILE 126 HG13 0.03 -0.10 -0.48 -0.04 1.21 0.63 2h47H1 ILE 126 HG23 0.08 0.07 -0.28 -0.04 0.93 0.75 2h47H1 ILE 126 HD13 -0.02 -0.02 -0.18 -0.04 0.88 0.62 2h47H1 SER 127 H 0.04 0.16 0.14 -0.55 8.46 8.25 2h47H1 SER 127 HA 0.02 0.07 0.41 -0.75 4.49 4.23 2h47H1 SER 127 HB2 0.02 -0.04 0.07 -0.04 3.95 3.95 2h47H1 SER 127 HB3 -0.01 0.04 0.05 -0.04 3.93 3.97 2h47H1 LEU 128 H -0.02 0.45 0.35 -0.55 8.37 8.60 2h47H1 LEU 128 HA -0.21 0.12 0.81 -0.75 4.35 4.32 2h47H1 LEU 128 HB2 -0.01 0.11 -0.25 -0.04 1.64 1.46 2h47H1 LEU 128 HB3 -0.08 -0.00 -0.04 -0.04 1.64 1.49 2h47H1 LEU 128 HG 0.08 -0.02 -0.27 -0.04 1.64 1.39 2h47H1 LEU 128 HD13 0.10 -0.01 -0.22 -0.04 0.93 0.75 2h47H1 LEU 128 HD23 0.22 0.05 -0.17 -0.04 0.89 0.95 2h47H1 PRO 129 HA -0.14 0.13 0.52 -0.51 4.44 4.45 2h47H1 PRO 129 HB2 -0.13 0.04 -0.07 -0.04 2.28 2.07 2h47H1 PRO 129 HB3 -0.24 0.04 0.04 -0.04 2.02 1.81 2h47H1 PRO 129 HG2 -0.28 -0.04 0.02 -0.04 2.03 1.69 2h47H1 PRO 129 HG3 -0.62 0.05 -0.02 -0.04 2.03 1.39 2h47H1 PRO 129 HD2 -0.91 0.08 0.17 -0.04 3.68 2.98 2h47H1 PRO 129 HD3 -1.30 0.16 0.08 -0.04 3.65 2.55 2h47H1 PRO 130 HA -0.02 0.01 0.39 -0.51 4.44 4.31 2h47H1 PRO 130 HB2 0.00 0.04 0.23 -0.04 2.28 2.51 2h47H1 PRO 130 HB3 -0.02 0.02 0.14 -0.04 2.02 2.11 2h47H1 PRO 130 HG2 -0.01 0.04 0.05 -0.04 2.03 2.07 2h47H1 PRO 130 HG3 -0.02 0.02 0.12 -0.04 2.03 2.11 2h47H1 PRO 130 HD2 -0.06 0.05 0.18 -0.04 3.68 3.82 2h47H1 PRO 130 HD3 -0.05 0.18 0.27 -0.04 3.65 4.01 2h47H1 LYS 131 H -0.01 0.46 0.43 -0.55 8.42 8.75 2h47H1 LYS 131 HA 0.05 0.21 0.61 -0.75 4.32 4.43 2h47H1 LYS 131 HB2 0.05 -0.05 -0.09 -0.04 1.87 1.74 2h47H1 LYS 131 HB3 0.02 0.06 -0.28 -0.04 1.79 1.55 2h47H1 LYS 131 HG2 -0.03 0.01 -0.36 -0.04 1.46 1.04 2h47H1 LYS 131 HG3 0.03 -0.03 -0.29 -0.04 1.46 1.13 2h47H1 LYS 131 HD2 0.05 -0.02 -0.25 -0.04 1.69 1.44 2h47H1 LYS 131 HD3 0.02 0.01 -0.23 -0.04 1.68 1.44 2h47H1 LYS 131 HE2 -0.01 -0.00 -0.16 -0.04 2.99 2.77 2h47H1 LYS 131 HE3 0.08 -0.02 -0.22 -0.04 2.99 2.79 2h47H1 ARG 132 H 0.02 0.01 0.17 -0.55 8.46 8.10 2h47H1 ARG 132 HA 0.03 0.01 0.42 -0.75 4.34 4.04 2h47H1 ARG 132 HB2 -0.02 0.06 0.05 -0.04 1.90 1.95 2h47H1 ARG 132 HB3 0.02 -0.06 0.08 -0.04 1.80 1.80 2h47H1 ARG 132 HG2 0.02 -0.00 -0.03 -0.04 1.67 1.62 2h47H1 ARG 132 HG3 0.04 -0.13 -0.01 -0.04 1.67 1.53 2h47H1 ARG 132 HD2 0.03 0.13 -0.69 -0.04 3.22 2.65 2h47H1 ARG 132 HD3 -0.05 0.01 -0.18 -0.04 3.22 2.96 2h47H1 VAL 133 H -0.01 0.65 0.45 -0.55 8.24 8.77 2h47H1 VAL 133 HA 0.15 0.00 0.30 -0.75 4.13 3.84 2h47H1 VAL 133 HB 0.01 -0.03 -0.08 -0.04 2.12 1.98 2h47H1 VAL 133 HG13 -0.24 0.00 0.08 -0.04 0.97 0.77 2h47H1 VAL 133 HG23 0.36 -0.03 -0.25 -0.04 0.95 0.99 2h47H1 GLN 134 H 0.16 0.16 0.11 -0.55 8.47 8.36 2h47H1 GLN 134 HA 0.10 0.22 0.84 -0.75 4.36 4.77 2h47H1 GLN 134 HB2 0.15 -0.06 0.14 -0.04 2.15 2.35 2h47H1 GLN 134 HB3 0.17 -0.05 0.02 -0.04 2.02 2.11 2h47H1 GLN 134 HG2 0.15 0.10 -0.12 -0.04 2.40 2.49 2h47H1 GLN 134 HG3 0.13 0.23 -0.23 -0.04 2.39 2.48 2h47H1 GLN 134 HE21 0.23 -0.07 -0.09 -0.04 6.97 7.00 2h47H1 GLN 134 HE22 0.19 0.03 -0.12 -0.04 7.69 7.75 2h47H1 GLY 135 H 0.15 0.44 0.12 -0.55 8.43 8.60 2h47H1 GLY 135 HA2 0.06 -0.01 0.31 -0.51 4.01 3.86 2h47H1 GLY 135 HA3 0.17 0.07 0.48 -0.51 4.01 4.22 2h47H1 LEU 136 H 0.07 0.09 0.12 -0.55 8.37 8.10 2h47H1 LEU 136 HA -0.17 0.01 0.36 -0.75 4.35 3.80 2h47H1 LEU 136 HB2 0.12 0.00 0.04 -0.04 1.64 1.76 2h47H1 LEU 136 HB3 -0.31 -0.01 0.03 -0.04 1.64 1.31 2h47H1 LEU 136 HG -0.01 -0.00 0.12 -0.04 1.64 1.70 2h47H1 LEU 136 HD13 -0.16 0.01 0.01 -0.04 0.93 0.75 2h47H1 LEU 136 HD23 -0.37 -0.00 0.01 -0.04 0.89 0.49 2h47H1 ASN 137 H -0.23 0.04 0.12 -0.55 8.53 7.91 2h47H1 ASN 137 HA 0.10 0.25 0.56 -0.75 4.76 4.91 2h47H1 ASN 137 HB2 -0.21 -0.15 0.19 -0.04 2.88 2.67 2h47H1 ASN 137 HB3 -0.16 0.02 0.14 -0.04 2.79 2.75 2h47H1 ASN 137 HD21 -0.34 0.09 0.02 -0.04 7.03 6.75 2h47H1 ASN 137 HD22 -0.29 -0.17 0.14 -0.04 7.74 7.38 2h47H1 TYR 138 H 0.38 0.43 0.10 -0.55 8.29 8.65 2h47H1 TYR 138 HA 0.13 0.07 0.55 -0.75 4.56 4.56 2h47H1 TYR 138 HB2 0.18 0.04 0.07 -0.04 3.06 3.30 2h47H1 TYR 138 HB3 0.15 -0.08 -0.01 -0.04 2.98 3.00 2h47H1 TYR 138 HD2 0.23 0.09 -0.06 -0.04 7.15 7.36 2h47H1 TYR 138 HE2 0.27 0.07 0.03 -0.04 6.85 7.18 2h47H1 ASP 139 H 0.18 0.16 0.25 -0.55 8.40 8.44 2h47H1 ASP 139 HA 0.13 0.14 0.43 -0.75 4.63 4.57 2h47H1 ASP 139 HB2 0.11 -0.03 0.25 -0.04 2.71 2.99 2h47H1 ASP 139 HB3 0.08 0.05 0.14 -0.04 2.70 2.92 2h47H1 GLY 140 H 0.15 0.04 -0.18 -0.55 8.43 7.90 2h47H1 GLY 140 HA2 0.01 0.30 0.43 -0.51 4.01 4.23 2h47H1 GLY 140 HA3 0.03 -0.00 0.38 -0.51 4.01 3.90 2h47H1 LEU 141 H 0.08 0.45 -0.67 -0.55 8.37 7.68 2h47H1 LEU 141 HA -0.23 0.08 0.97 -0.75 4.35 4.42 2h47H1 LEU 141 HB2 -0.05 0.15 0.05 -0.04 1.64 1.75 2h47H1 LEU 141 HB3 -0.26 -0.03 0.17 -0.04 1.64 1.48 2h47H1 LEU 141 HG 0.08 -0.08 -0.13 -0.04 1.64 1.47 2h47H1 LEU 141 HD13 0.30 0.01 -0.00 -0.04 0.93 1.19 2h47H1 LEU 141 HD23 -0.64 0.00 -0.09 -0.04 0.89 0.12 2h47H1 PHE 142 H 0.10 0.46 -0.05 -0.55 8.34 8.30 2h47H1 PHE 142 HA -0.08 0.09 0.64 -0.75 4.62 4.50 2h47H1 PHE 142 HB2 -0.04 0.01 -0.30 -0.04 3.15 2.78 2h47H1 PHE 142 HB3 0.05 0.02 0.10 -0.04 3.06 3.19 2h47H1 PHE 142 HD2 0.01 0.01 -0.18 -0.04 7.28 7.08 2h47H1 PHE 142 HE2 0.06 0.07 -0.39 -0.04 7.38 7.08 2h47H1 PHE 142 HZ 0.07 0.05 -0.40 -0.04 7.32 7.00 2h47H1 ARG 143 H -0.15 0.56 0.17 -0.55 8.46 8.48 2h47H1 ARG 143 HA -0.11 0.22 0.95 -0.75 4.34 4.64 2h47H1 ARG 143 HB2 -0.14 -0.04 -0.03 -0.04 1.90 1.64 2h47H1 ARG 143 HB3 -0.07 -0.03 0.18 -0.04 1.80 1.84 2h47H1 ARG 143 HG2 -0.05 -0.14 -0.26 -0.04 1.67 1.18 2h47H1 ARG 143 HG3 -0.06 0.11 -0.05 -0.04 1.67 1.63 2h47H1 ARG 143 HD2 0.02 -0.07 -0.17 -0.04 3.22 2.95 2h47H1 ARG 143 HD3 -0.01 -0.05 0.05 -0.04 3.22 3.17 2h47H1 GLN 144 H -0.07 0.33 0.24 -0.55 8.47 8.42 2h47H1 GLN 144 HA -0.09 0.08 0.98 -0.75 4.36 4.57 2h47H1 GLN 144 HB2 -0.01 0.06 0.10 -0.04 2.15 2.25 2h47H1 GLN 144 HB3 -0.05 -0.02 -0.16 -0.04 2.02 1.75 2h47H1 GLN 144 HG2 -0.03 -0.02 0.09 -0.04 2.40 2.40 2h47H1 GLN 144 HG3 -0.00 0.16 -0.02 -0.04 2.39 2.48 2h47H1 GLN 144 HE21 -0.10 0.05 -0.21 -0.04 6.97 6.67 2h47H1 GLN 144 HE22 -0.04 0.01 -0.06 -0.04 7.69 7.55 2h47H1 THR 145 H 0.04 0.51 0.27 -0.55 8.28 8.54 2h47H1 THR 145 HA 0.07 0.12 0.49 -0.75 4.39 4.31 2h47H1 THR 145 HB 0.15 0.22 0.37 -0.04 4.32 5.01 2h47H1 THR 145 HG23 0.23 0.03 -0.03 -0.04 1.22 1.41 2h47H1 THR 146 H 0.06 0.25 0.32 -0.55 8.28 8.36 2h47H1 THR 146 HA 0.02 0.08 0.49 -0.75 4.39 4.23 2h47H1 THR 146 HB 0.04 0.14 0.25 -0.04 4.32 4.71 2h47H1 THR 146 HG23 0.03 0.01 -0.06 -0.04 1.22 1.16 2h47H1 ASP 147 H 0.04 0.55 0.10 -0.55 8.40 8.55 2h47H1 ASP 147 HA 0.00 0.16 0.47 -0.75 4.63 4.51 2h47H1 ASP 147 HB2 -0.01 0.02 0.13 -0.04 2.71 2.82 2h47H1 ASP 147 HB3 0.02 -0.01 0.11 -0.04 2.70 2.78 2h47H1 GLY 148 H 0.00 0.49 -0.88 -0.55 8.43 7.50 2h47H1 GLY 148 HA2 -0.01 0.09 0.25 -0.51 4.01 3.83 2h47H1 GLY 148 HA3 -0.02 -0.00 0.32 -0.51 4.01 3.80 2h47H1 LYS 149 H -0.13 -0.01 -0.44 -0.55 8.42 7.28 2h47H1 LYS 149 HA -0.33 0.15 0.68 -0.75 4.32 4.06 2h47H1 LYS 149 HB2 -0.69 -0.05 -0.01 -0.04 1.87 1.08 2h47H1 LYS 149 HB3 -1.04 -0.02 0.03 -0.04 1.79 0.72 2h47H1 LYS 149 HG2 -0.14 0.08 -0.13 -0.04 1.46 1.23 2h47H1 LYS 149 HG3 -0.16 -0.01 -0.02 -0.04 1.46 1.23 2h47H1 LYS 149 HD2 -0.21 -0.07 0.03 -0.04 1.69 1.40 2h47H1 LYS 149 HD3 -0.17 0.07 -0.10 -0.04 1.68 1.44 2h47H1 LYS 149 HE2 -0.06 0.10 -0.00 -0.04 2.99 2.98 2h47H1 LYS 149 HE3 -0.06 -0.04 -0.00 -0.04 2.99 2.85 2h47H1 PHE 150 H -0.08 0.01 0.04 -0.55 8.34 7.75 2h47H1 PHE 150 HA -0.08 0.34 1.23 -0.75 4.62 5.35 2h47H1 PHE 150 HB2 -0.04 -0.10 -0.03 -0.04 3.15 2.94 2h47H1 PHE 150 HB3 -0.08 0.11 -0.00 -0.04 3.06 3.05 2h47H1 PHE 150 HD2 -0.03 0.00 -0.15 -0.04 7.28 7.06 2h47H1 PHE 150 HE2 -0.02 0.01 -0.15 -0.04 7.38 7.18 2h47H1 PHE 150 HZ -0.01 0.29 -0.10 -0.04 7.32 7.45 2h47H1 ILE 151 H -0.01 0.53 0.32 -0.55 8.25 8.55 2h47H1 ILE 151 HA -0.16 0.20 0.93 -0.75 4.18 4.39 2h47H1 ILE 151 HB -0.16 -0.07 0.11 -0.04 1.89 1.73 2h47H1 ILE 151 HG12 -0.33 0.07 -0.12 -0.04 1.49 1.07 2h47H1 ILE 151 HG13 -0.35 -0.09 -0.19 -0.04 1.21 0.54 2h47H1 ILE 151 HG23 -0.32 0.03 -0.26 -0.04 0.93 0.35 2h47H1 ILE 151 HD13 -0.81 0.00 -0.16 -0.04 0.88 -0.12 2h47H1 VAL 152 H -0.20 0.69 0.08 -0.55 8.24 8.26 2h47H1 VAL 152 HA -0.21 0.33 1.01 -0.75 4.13 4.51 2h47H1 VAL 152 HB -0.40 -0.05 -0.09 -0.04 2.12 1.54 2h47H1 VAL 152 HG13 -0.97 0.01 -0.23 -0.04 0.97 -0.26 2h47H1 VAL 152 HG23 -0.30 -0.02 -0.32 -0.04 0.95 0.27 2h47H1 LEU 153 H -0.08 0.46 0.17 -0.55 8.37 8.37 2h47H1 LEU 153 HA 0.00 0.29 0.94 -0.75 4.35 4.83 2h47H1 LEU 153 HB2 0.10 0.12 0.11 -0.04 1.64 1.93 2h47H1 LEU 153 HB3 0.26 -0.02 -0.10 -0.04 1.64 1.74 2h47H1 LEU 153 HG 0.07 -0.16 -0.03 -0.04 1.64 1.48 2h47H1 LEU 153 HD13 0.11 0.03 -0.19 -0.04 0.93 0.84 2h47H1 LEU 153 HD23 0.18 0.01 -0.20 -0.04 0.89 0.84 2h47H1 GLN 154 H -0.13 0.46 0.30 -0.55 8.47 8.54 2h47H1 GLN 154 HA -0.18 0.10 0.86 -0.75 4.36 4.38 2h47H1 GLN 154 HB2 -0.49 -0.01 0.11 -0.04 2.15 1.73 2h47H1 GLN 154 HB3 -0.44 0.04 0.25 -0.04 2.02 1.83 2h47H1 GLN 154 HG2 -2.15 -0.10 0.04 -0.04 2.40 0.15 2h47H1 GLN 154 HG3 -0.67 0.14 -0.15 -0.04 2.39 1.66 2h47H1 GLN 154 HE21 -0.03 -0.11 -0.16 -0.04 6.97 6.63 2h47H1 GLN 154 HE22 -0.08 0.06 0.27 -0.04 7.69 7.90 2h47H1 ASN 155 H -0.02 0.64 0.42 -0.55 8.53 9.02 2h47H1 ASN 155 HA 0.05 0.15 0.95 -0.75 4.76 5.16 2h47H1 ASN 155 HB2 0.08 0.03 -0.05 -0.04 2.88 2.90 2h47H1 ASN 155 HB3 0.07 0.03 -0.12 -0.04 2.79 2.73 2h47H1 ASN 155 HD21 0.24 -0.05 -0.22 -0.04 7.03 6.96 2h47H1 ASN 155 HD22 0.12 -0.02 -0.48 -0.04 7.74 7.32 2h47H1 ALA 156 H 0.11 0.77 0.17 -0.55 8.40 8.90 2h47H1 ALA 156 HA 0.18 0.17 0.29 -0.75 4.34 4.22 2h47H1 ALA 156 HB3 0.26 0.01 -0.05 -0.04 1.41 1.59 2h47H1 SER 157 H 0.08 0.15 -0.42 -0.55 8.46 7.72 2h47H1 SER 157 HA 0.06 0.24 0.73 -0.75 4.49 4.77 2h47H1 SER 157 HB2 0.04 0.00 0.19 -0.04 3.95 4.14 2h47H1 SER 157 HB3 0.05 0.07 -0.22 -0.04 3.93 3.79 2h47H1 PRO 158 HA 0.06 0.13 0.11 -0.51 4.44 4.23 2h47H1 PRO 158 HB2 0.00 0.02 0.02 -0.04 2.28 2.28 2h47H1 PRO 158 HB3 0.02 0.07 0.04 -0.04 2.02 2.11 2h47H1 PRO 158 HG2 0.01 -0.01 0.04 -0.04 2.03 2.04 2h47H1 PRO 158 HG3 0.01 0.04 0.06 -0.04 2.03 2.10 2h47H1 PRO 158 HD2 0.02 0.12 0.56 -0.04 3.68 4.35 2h47H1 PRO 158 HD3 0.02 0.12 -0.05 -0.04 3.65 3.70 2h47H1 ALA 159 H 0.04 0.22 -0.12 -0.55 8.40 7.99 2h47H1 ALA 159 HA 0.04 0.03 0.45 -0.75 4.34 4.10 2h47H1 ALA 159 HB3 0.04 0.03 0.04 -0.04 1.41 1.48 2h47H1 THR 160 H 0.10 -0.02 0.27 -0.55 8.28 8.08 2h47H1 THR 160 HA 0.19 0.30 0.65 -0.75 4.39 4.78 2h47H1 THR 160 HB 0.28 0.03 0.08 -0.04 4.32 4.67 2h47H1 THR 160 HG23 0.43 0.07 0.18 -0.04 1.22 1.86 2h47H1 SER 161 H 0.11 0.47 0.15 -0.55 8.46 8.64 2h47H1 SER 161 HA 0.07 0.04 0.30 -0.75 4.49 4.15 2h47H1 SER 161 HB2 0.07 -0.02 -0.33 -0.04 3.95 3.63 2h47H1 SER 161 HB3 0.07 0.13 -0.18 -0.04 3.93 3.91 2h47H1 ILE 162 H 0.05 0.47 0.10 -0.55 8.25 8.32 2h47H1 ILE 162 HA -0.03 0.24 1.05 -0.75 4.18 4.68 2h47H1 ILE 162 HB 0.09 -0.10 0.08 -0.04 1.89 1.92 2h47H1 ILE 162 HG12 -0.08 0.07 -0.19 -0.04 1.49 1.24 2h47H1 ILE 162 HG13 0.03 -0.10 -0.26 -0.04 1.21 0.84 2h47H1 ILE 162 HG23 -0.17 0.03 -0.26 -0.04 0.93 0.49 2h47H1 ILE 162 HD13 0.13 0.01 -0.20 -0.04 0.88 0.78 2h47H1 GLY 163 H -0.00 0.66 0.23 -0.55 8.43 8.76 2h47H1 GLY 163 HA2 -0.04 0.13 0.72 -0.51 4.01 4.32 2h47H1 GLY 163 HA3 0.14 0.02 0.25 -0.51 4.01 3.91 2h47H1 ILE 164 H -0.58 0.56 0.29 -0.55 8.25 7.97 2h47H1 ILE 164 HA -0.16 0.33 1.09 -0.75 4.18 4.69 2h47H1 ILE 164 HB -0.25 -0.28 0.26 -0.04 1.89 1.57 2h47H1 ILE 164 HG12 -0.11 -0.03 -0.42 -0.04 1.49 0.89 2h47H1 ILE 164 HG13 -0.09 -0.00 -0.10 -0.04 1.21 0.98 2h47H1 ILE 164 HG23 -0.23 0.05 -0.09 -0.04 0.93 0.61 2h47H1 ILE 164 HD13 -0.07 0.06 -0.16 -0.04 0.88 0.66 2h47H1 VAL 165 H -0.06 0.62 0.32 -0.55 8.24 8.58 2h47H1 VAL 165 HA -0.05 0.17 1.16 -0.75 4.13 4.65 2h47H1 VAL 165 HB -0.04 -0.05 0.06 -0.04 2.12 2.04 2h47H1 VAL 165 HG13 0.00 0.00 -0.41 -0.04 0.97 0.53 2h47H1 VAL 165 HG23 0.10 0.01 -0.23 -0.04 0.95 0.80 2h47H1 ASP 166 H 0.05 0.74 0.30 -0.55 8.40 8.94 2h47H1 ASP 166 HA 0.18 0.16 0.71 -0.75 4.63 4.93 2h47H1 ASP 166 HB2 0.16 0.09 0.12 -0.04 2.71 3.03 2h47H1 ASP 166 HB3 0.05 -0.09 0.21 -0.04 2.70 2.83 2h47H1 VAL 167 H -0.17 0.59 0.31 -0.55 8.24 8.42 2h47H1 VAL 167 HA -0.13 0.04 0.26 -0.75 4.13 3.54 2h47H1 VAL 167 HB -0.15 0.02 0.15 -0.04 2.12 2.11 2h47H1 VAL 167 HG13 -0.02 -0.00 -0.15 -0.04 0.97 0.76 2h47H1 VAL 167 HG23 -0.21 0.02 -0.17 -0.04 0.95 0.55 2h47H1 ALA 168 H -0.13 0.11 -0.04 -0.55 8.40 7.80 2h47H1 ALA 168 HA -0.04 0.09 0.37 -0.75 4.34 4.00 2h47H1 ALA 168 HB3 -0.06 -0.02 0.08 -0.04 1.41 1.38 2h47H1 LYS 169 H -0.02 -0.01 -0.13 -0.55 8.42 7.71 2h47H1 LYS 169 HA -0.00 0.05 0.31 -0.75 4.32 3.93 2h47H1 LYS 169 HB2 0.02 -0.06 0.07 -0.04 1.87 1.86 2h47H1 LYS 169 HB3 0.02 0.03 -0.06 -0.04 1.79 1.74 2h47H1 LYS 169 HG2 0.01 0.03 0.02 -0.04 1.46 1.48 2h47H1 LYS 169 HG3 0.01 -0.06 0.03 -0.04 1.46 1.40 2h47H1 LYS 169 HD2 0.05 -0.01 0.00 -0.04 1.69 1.70 2h47H1 LYS 169 HD3 0.03 0.03 -0.02 -0.04 1.68 1.68 2h47H1 LYS 169 HE2 0.02 0.00 -0.01 -0.04 2.99 2.97 2h47H1 LYS 169 HE3 0.03 -0.02 -0.00 -0.04 2.99 2.96 2h47H1 GLY 170 H -0.02 0.39 -0.54 -0.55 8.43 7.72 2h47H1 GLY 170 HA2 -0.02 -0.02 0.23 -0.51 4.01 3.69 2h47H1 GLY 170 HA3 -0.01 0.05 0.44 -0.51 4.01 3.98 2h47H1 ASP 171 H 0.02 0.22 -0.00 -0.55 8.40 8.09 2h47H1 ASP 171 HA 0.07 0.15 0.72 -0.75 4.63 4.81 2h47H1 ASP 171 HB2 0.03 0.02 -0.41 -0.04 2.71 2.31 2h47H1 ASP 171 HB3 0.05 -0.02 -0.24 -0.04 2.70 2.45 2h47H1 TYR 172 H 0.18 0.23 0.11 -0.55 8.29 8.26 2h47H1 TYR 172 HA 0.02 0.03 0.55 -0.75 4.56 4.40 2h47H1 TYR 172 HB2 0.02 0.23 0.16 -0.04 3.06 3.43 2h47H1 TYR 172 HB3 0.02 -0.03 0.17 -0.04 2.98 3.10 2h47H1 TYR 172 HD2 0.02 0.01 -0.13 -0.04 7.15 7.00 2h47H1 TYR 172 HE2 0.01 -0.05 -0.14 -0.04 6.85 6.63 2h47H1 VAL 173 H -0.18 0.37 0.51 -0.55 8.24 8.40 2h47H1 VAL 173 HA -0.02 0.14 0.69 -0.75 4.13 4.19 2h47H1 VAL 173 HB -0.06 0.03 -0.06 -0.04 2.12 1.98 2h47H1 VAL 173 HG13 0.05 0.01 -0.01 -0.04 0.97 0.98 2h47H1 VAL 173 HG23 -0.13 -0.07 -0.03 -0.04 0.95 0.68 2h47H1 GLU 174 H -0.28 0.19 0.23 -0.55 8.60 8.19 2h47H1 GLU 174 HA -0.09 0.23 0.97 -0.75 4.29 4.64 2h47H1 GLU 174 HB2 -0.13 0.04 -0.07 -0.04 2.09 1.89 2h47H1 GLU 174 HB3 -0.16 0.05 0.11 -0.04 1.99 1.94 2h47H1 GLU 174 HG2 -0.07 -0.07 0.02 -0.04 2.34 2.18 2h47H1 GLU 174 HG3 -0.06 -0.05 -0.18 -0.04 2.34 2.01 2h47H1 ASP 175 H -0.02 0.17 0.01 -0.55 8.40 8.01 2h47H1 ASP 175 HA 0.06 0.21 0.73 -0.75 4.63 4.88 2h47H1 ASP 175 HB2 0.18 0.05 -0.12 -0.04 2.71 2.79 2h47H1 ASP 175 HB3 0.08 -0.04 0.17 -0.04 2.70 2.87 2h47H1 VAL 176 H -0.00 0.47 -0.03 -0.55 8.24 8.13 2h47H1 VAL 176 HA 0.01 -0.03 0.42 -0.75 4.13 3.79 2h47H1 VAL 176 HB 0.08 0.05 0.23 -0.04 2.12 2.44 2h47H1 VAL 176 HG13 0.04 -0.05 -0.08 -0.04 0.97 0.84 2h47H1 VAL 176 HG23 0.06 0.02 -0.06 -0.04 0.95 0.93 2h47H1 THR 177 H 0.03 0.32 0.39 -0.55 8.28 8.46 2h47H1 THR 177 HA 0.05 0.14 0.56 -0.75 4.39 4.38 2h47H1 THR 177 HB 0.03 0.02 0.11 -0.04 4.32 4.44 2h47H1 THR 177 HG23 0.05 0.09 -0.03 -0.04 1.22 1.29 2h47H1 ALA 178 H 0.02 0.03 -0.23 -0.55 8.40 7.67 2h47H1 ALA 178 HA 0.01 0.15 0.47 -0.75 4.34 4.21 2h47H1 ALA 178 HB3 -0.01 0.01 -0.02 -0.04 1.41 1.35 2h47H1 ALA 179 H 0.04 0.15 -0.45 -0.55 8.40 7.59 2h47H1 ALA 179 HA 0.04 0.12 0.31 -0.75 4.34 4.05 2h47H1 ALA 179 HB3 0.08 -0.01 -0.09 -0.04 1.41 1.35 2h47H1 ALA 180 H 0.04 0.26 -0.76 -0.55 8.40 7.40 2h47H1 ALA 180 HA 0.08 0.07 0.30 -0.75 4.34 4.04 2h47H1 ALA 180 HB3 0.04 -0.01 0.10 -0.04 1.41 1.50 2h47H1 GLY 181 H 0.08 0.07 0.28 -0.55 8.43 8.31 2h47H1 GLY 181 HA2 0.04 -0.02 0.41 -0.51 4.01 3.93 2h47H1 GLY 181 HA3 0.03 0.11 0.70 -0.51 4.01 4.34 2h47H1 CYS 182 H 0.13 0.22 0.07 -0.55 8.50 8.37 2h47H1 CYS 182 HA 0.12 0.08 0.99 -0.75 4.58 5.01 2h47H1 CYS 182 HB2 0.10 0.05 -0.05 -0.04 2.97 3.03 2h47H1 CYS 182 HB3 0.10 0.03 -0.16 -0.04 2.97 2.89 2h47H1 TRP 183 H 0.20 0.47 0.30 -0.55 7.97 8.40 2h47H1 TRP 183 HA 0.02 0.04 0.57 -0.75 4.62 4.49 2h47H1 TRP 183 HB2 -0.00 0.08 -0.34 -0.04 3.23 2.94 2h47H1 TRP 183 HB3 -0.01 -0.02 -0.05 -0.04 3.23 3.11 2h47H1 TRP 183 HD1 -0.08 -0.03 -0.10 -0.04 7.22 6.96 2h47H1 TRP 183 HE1 -0.09 -0.02 -0.03 -0.04 10.20 10.02 2h47H1 TRP 183 HE3 0.01 0.16 0.21 -0.04 7.59 7.94 2h47H1 TRP 183 HZ2 0.03 0.01 -0.06 -0.04 7.44 7.38 2h47H1 TRP 183 HZ3 0.02 0.17 0.06 -0.04 7.13 7.33 2h47H1 TRP 183 HH2 0.02 -0.00 -0.09 -0.04 7.19 7.08 2h47H1 SER 184 H -1.24 0.08 0.10 -0.55 8.46 6.86 2h47H1 SER 184 HA -0.48 0.13 0.34 -0.75 4.49 3.72 2h47H1 SER 184 HB2 -0.06 -0.05 0.08 -0.04 3.95 3.87 2h47H1 SER 184 HB3 -0.12 -0.09 -0.15 -0.04 3.93 3.54 2h47H1 VAL 185 H -0.12 0.69 0.41 -0.55 8.24 8.67 2h47H1 VAL 185 HA -0.01 0.30 1.03 -0.75 4.13 4.70 2h47H1 VAL 185 HB -0.16 0.03 0.04 -0.04 2.12 1.99 2h47H1 VAL 185 HG13 -0.31 -0.03 -0.26 -0.04 0.97 0.33 2h47H1 VAL 185 HG23 -0.28 -0.02 -0.31 -0.04 0.95 0.30 2h47H1 ILE 186 H 0.10 0.69 0.21 -0.55 8.25 8.70 2h47H1 ILE 186 HA 0.05 0.21 0.93 -0.75 4.18 4.61 2h47H1 ILE 186 HB 0.10 -0.13 0.07 -0.04 1.89 1.88 2h47H1 ILE 186 HG12 0.17 0.09 -0.17 -0.04 1.49 1.54 2h47H1 ILE 186 HG13 0.12 -0.03 -0.38 -0.04 1.21 0.88 2h47H1 ILE 186 HG23 0.10 0.03 -0.09 -0.04 0.93 0.93 2h47H1 ILE 186 HD13 0.36 -0.02 -0.22 -0.04 0.88 0.96 2h47H1 PRO 187 HA 0.07 0.05 0.69 -0.51 4.44 4.73 2h47H1 PRO 187 HB2 0.01 0.02 0.04 -0.04 2.28 2.30 2h47H1 PRO 187 HB3 0.02 0.04 0.09 -0.04 2.02 2.13 2h47H1 PRO 187 HG2 -0.02 0.03 0.07 -0.04 2.03 2.07 2h47H1 PRO 187 HG3 -0.05 -0.03 -0.09 -0.04 2.03 1.82 2h47H1 PRO 187 HD2 0.01 0.10 0.21 -0.04 3.68 3.95 2h47H1 PRO 187 HD3 -0.01 0.33 -0.12 -0.04 3.65 3.81 2h47H1 GLN 188 H -0.05 0.47 0.26 -0.55 8.47 8.60 2h47H1 GLN 188 HA -0.37 0.20 0.74 -0.75 4.36 4.17 2h47H1 GLN 188 HB2 -0.16 -0.03 0.07 -0.04 2.15 1.98 2h47H1 GLN 188 HB3 -0.22 -0.02 0.00 -0.04 2.02 1.74 2h47H1 GLN 188 HG2 -1.89 0.03 -0.14 -0.04 2.40 0.36 2h47H1 GLN 188 HG3 -0.47 -0.02 -0.21 -0.04 2.39 1.65 2h47H1 GLN 188 HE21 -0.09 0.02 -0.14 -0.04 6.97 6.72 2h47H1 GLN 188 HE22 -0.40 -0.02 -0.19 -0.04 7.69 7.03 2h47H1 PRO 189 HA 0.06 0.04 0.49 -0.51 4.44 4.52 2h47H1 PRO 189 HB2 0.12 0.09 0.17 -0.04 2.28 2.61 2h47H1 PRO 189 HB3 0.07 -0.05 0.13 -0.04 2.02 2.13 2h47H1 PRO 189 HG2 0.12 0.14 0.03 -0.04 2.03 2.28 2h47H1 PRO 189 HG3 0.07 -0.01 0.01 -0.04 2.03 2.06 2h47H1 PRO 189 HD2 0.39 0.15 0.20 -0.04 3.68 4.38 2h47H1 PRO 189 HD3 0.08 0.51 0.34 -0.04 3.65 4.54 2h47H1 ASN 190 H 0.24 0.11 -0.27 -0.55 8.53 8.06 2h47H1 ASN 190 HA 0.08 0.14 0.72 -0.75 4.76 4.94 2h47H1 ASN 190 HB2 0.09 -0.04 0.13 -0.04 2.88 3.02 2h47H1 ASN 190 HB3 0.11 0.01 -0.02 -0.04 2.79 2.85 2h47H1 ASN 190 HD21 0.30 0.45 0.03 -0.04 7.03 7.78 2h47H1 ASN 190 HD22 0.10 -0.08 0.03 -0.04 7.74 7.75 2h47H1 ARG 191 H 0.06 0.45 -0.28 -0.55 8.46 8.15 2h47H1 ARG 191 HA 0.04 0.22 0.88 -0.75 4.34 4.73 2h47H1 ARG 191 HB2 0.01 -0.03 0.01 -0.04 1.90 1.85 2h47H1 ARG 191 HB3 0.02 -0.09 -0.03 -0.04 1.80 1.66 2h47H1 ARG 191 HG2 0.05 0.16 -0.13 -0.04 1.67 1.71 2h47H1 ARG 191 HG3 0.09 -0.04 -0.36 -0.04 1.67 1.31 2h47H1 ARG 191 HD2 0.00 -0.05 -0.09 -0.04 3.22 3.04 2h47H1 ARG 191 HD3 0.01 -0.06 -0.06 -0.04 3.22 3.07 2h47H1 PRO 192 HA 0.04 0.05 0.42 -0.51 4.44 4.44 2h47H1 PRO 192 HB2 0.06 0.01 0.03 -0.04 2.28 2.34 2h47H1 PRO 192 HB3 0.04 0.08 0.12 -0.04 2.02 2.22 2h47H1 PRO 192 HG2 0.04 -0.14 0.10 -0.04 2.03 1.98 2h47H1 PRO 192 HG3 0.03 0.09 0.08 -0.04 2.03 2.20 2h47H1 PRO 192 HD2 0.03 0.14 0.21 -0.04 3.68 4.01 2h47H1 PRO 192 HD3 0.03 0.20 0.18 -0.04 3.65 4.01 2h47H1 ARG 193 H 0.05 0.19 -0.10 -0.55 8.46 8.05 2h47H1 ARG 193 HA 0.13 0.10 0.98 -0.75 4.34 4.81 2h47H1 ARG 193 HB2 0.12 -0.02 0.12 -0.04 1.90 2.08 2h47H1 ARG 193 HB3 0.28 -0.04 -0.08 -0.04 1.80 1.92 2h47H1 ARG 193 HG2 0.10 -0.08 -0.04 -0.04 1.67 1.61 2h47H1 ARG 193 HG3 0.04 0.12 0.08 -0.04 1.67 1.86 2h47H1 ARG 193 HD2 0.00 -0.07 -0.44 -0.04 3.22 2.66 2h47H1 ARG 193 HD3 0.32 -0.03 -0.23 -0.04 3.22 3.24 2h47H1 SER 194 H 0.06 0.36 0.03 -0.55 8.46 8.35 2h47H1 SER 194 HA -0.12 0.31 1.11 -0.75 4.49 5.03 2h47H1 SER 194 HB2 -0.04 -0.03 0.02 -0.04 3.95 3.86 2h47H1 SER 194 HB3 -0.12 0.06 0.01 -0.04 3.93 3.84 2h47H1 PHE 195 H -0.48 0.54 0.39 -0.55 8.34 8.24 2h47H1 PHE 195 HA -0.13 0.09 0.68 -0.75 4.62 4.51 2h47H1 PHE 195 HB2 -0.06 0.04 -0.13 -0.04 3.15 2.95 2h47H1 PHE 195 HB3 -0.06 0.01 -0.18 -0.04 3.06 2.79 2h47H1 PHE 195 HD2 -0.05 0.06 -0.37 -0.04 7.28 6.88 2h47H1 PHE 195 HE2 -0.08 -0.01 -0.20 -0.04 7.38 7.05 2h47H1 PHE 195 HZ -0.08 -0.04 -0.17 -0.04 7.32 6.98 2h47H1 MET 196 H 0.12 0.67 0.30 -0.55 8.47 9.00 2h47H1 MET 196 HA -0.03 0.31 1.07 -0.75 4.52 5.12 2h47H1 MET 196 HB2 0.05 0.01 -0.05 -0.04 2.15 2.12 2h47H1 MET 196 HB3 0.03 -0.05 -0.02 -0.04 2.03 1.94 2h47H1 MET 196 HG2 -0.10 -0.00 -0.24 -0.04 2.63 2.25 2h47H1 MET 196 HG3 -0.21 0.01 -0.24 -0.04 2.56 2.08 2h47H1 MET 196 HE3 0.05 0.01 -0.17 -0.04 2.10 1.95 2h47H1 THR 197 H 0.05 0.30 0.27 -0.55 8.28 8.35 2h47H1 THR 197 HA 0.09 0.26 0.71 -0.75 4.39 4.69 2h47H1 THR 197 HB 0.14 -0.04 -0.25 -0.04 4.32 4.13 2h47H1 THR 197 HG23 0.06 -0.01 -0.13 -0.04 1.22 1.10 2h47H1 ILE 198 H 0.10 0.53 0.28 -0.55 8.25 8.61 2h47H1 ILE 198 HA 0.04 0.14 0.83 -0.75 4.18 4.44 2h47H1 ILE 198 HB 0.13 0.01 0.12 -0.04 1.89 2.10 2h47H1 ILE 198 HG12 -0.05 -0.02 -0.14 -0.04 1.49 1.24 2h47H1 ILE 198 HG13 0.10 0.00 -0.00 -0.04 1.21 1.28 2h47H1 ILE 198 HG23 0.14 0.01 -0.12 -0.04 0.93 0.91 2h47H1 ILE 198 HD13 0.10 0.01 -0.11 -0.04 0.88 0.84 2h47H1 CYS 199 H 0.02 0.65 0.36 -0.55 8.50 8.98 2h47H1 CYS 199 HA 0.05 0.27 1.18 -0.75 4.58 5.33 2h47H1 CYS 199 HB2 -0.02 -0.09 -0.00 -0.04 2.97 2.82 2h47H1 CYS 199 HB3 -0.00 0.06 0.02 -0.04 2.97 3.00 2h47H1 GLY 200 H 0.01 0.74 0.35 -0.55 8.43 8.98 2h47H1 GLY 200 HA2 -0.04 0.04 0.36 -0.51 4.01 3.86 2h47H1 GLY 200 HA3 -0.04 0.09 0.44 -0.51 4.01 3.99 2h47H1 ASP 201 H -0.09 0.04 -0.88 -0.55 8.40 6.93 2h47H1 ASP 201 HA -0.13 0.20 0.83 -0.75 4.63 4.77 2h47H1 ASP 201 HB2 -0.09 0.02 0.13 -0.04 2.71 2.73 2h47H1 ASP 201 HB3 -0.07 0.03 -0.03 -0.04 2.70 2.59 2h47H1 GLY 202 H -0.31 0.45 -0.04 -0.55 8.43 7.98 2h47H1 GLY 202 HA2 -1.42 0.03 0.33 -0.51 4.01 2.44 2h47H1 GLY 202 HA3 -0.80 0.28 0.54 -0.51 4.01 3.52 2h47H1 GLY 203 H -0.16 -0.01 -0.40 -0.55 8.43 7.31 2h47H1 GLY 203 HA2 -0.07 0.22 0.86 -0.51 4.01 4.51 2h47H1 GLY 203 HA3 -0.07 0.11 0.11 -0.51 4.01 3.65 2h47H1 LEU 204 H -0.01 0.21 0.13 -0.55 8.37 8.15 2h47H1 LEU 204 HA 0.00 0.35 1.14 -0.75 4.35 5.10 2h47H1 LEU 204 HB2 0.03 -0.04 0.09 -0.04 1.64 1.67 2h47H1 LEU 204 HB3 0.03 0.02 -0.07 -0.04 1.64 1.58 2h47H1 LEU 204 HG -0.04 -0.07 -0.33 -0.04 1.64 1.17 2h47H1 LEU 204 HD13 0.01 0.01 -0.15 -0.04 0.93 0.75 2h47H1 LEU 204 HD23 -0.08 0.03 -0.19 -0.04 0.89 0.60 2h47H1 LEU 205 H 0.01 0.52 0.26 -0.55 8.37 8.62 2h47H1 LEU 205 HA -0.02 0.18 0.94 -0.75 4.35 4.70 2h47H1 LEU 205 HB2 -0.01 -0.01 -0.05 -0.04 1.64 1.54 2h47H1 LEU 205 HB3 0.01 0.02 0.07 -0.04 1.64 1.70 2h47H1 LEU 205 HG -0.04 -0.04 -0.46 -0.04 1.64 1.06 2h47H1 LEU 205 HD13 -0.04 0.00 -0.13 -0.04 0.93 0.72 2h47H1 LEU 205 HD23 0.00 -0.02 -0.28 -0.04 0.89 0.54 2h47H1 THR 206 H -0.05 0.68 0.38 -0.55 8.28 8.74 2h47H1 THR 206 HA -0.15 0.26 1.02 -0.75 4.39 4.77 2h47H1 THR 206 HB -0.07 -0.03 0.17 -0.04 4.32 4.35 2h47H1 THR 206 HG23 -0.14 0.01 -0.18 -0.04 1.22 0.87 2h47H1 ILE 207 H -0.51 0.76 0.38 -0.55 8.25 8.33 2h47H1 ILE 207 HA -0.27 0.18 1.05 -0.75 4.18 4.38 2h47H1 ILE 207 HB -1.77 0.00 0.06 -0.04 1.89 0.14 2h47H1 ILE 207 HG12 -0.26 0.07 -0.39 -0.04 1.49 0.87 2h47H1 ILE 207 HG13 -0.11 -0.03 -0.17 -0.04 1.21 0.86 2h47H1 ILE 207 HG23 -0.27 -0.03 -0.23 -0.04 0.93 0.37 2h47H1 ILE 207 HD13 -0.11 0.02 -0.17 -0.04 0.88 0.58 2h47H1 ASN 208 H -0.19 0.76 0.33 -0.55 8.53 8.88 2h47H1 ASN 208 HA -0.16 0.17 1.04 -0.75 4.76 5.06 2h47H1 ASN 208 HB2 -0.09 -0.06 0.20 -0.04 2.88 2.89 2h47H1 ASN 208 HB3 -0.07 0.03 0.02 -0.04 2.79 2.73 2h47H1 ASN 208 HD21 -0.06 0.04 -0.22 -0.04 7.03 6.74 2h47H1 ASN 208 HD22 -0.07 -0.06 -0.29 -0.04 7.74 7.28 2h47H1 LEU 209 H -0.10 0.62 0.26 -0.55 8.37 8.60 2h47H1 LEU 209 HA -0.13 0.02 0.49 -0.75 4.35 3.98 2h47H1 LEU 209 HB2 -0.09 0.07 0.09 -0.04 1.64 1.66 2h47H1 LEU 209 HB3 -0.32 0.00 -0.10 -0.04 1.64 1.18 2h47H1 LEU 209 HG 0.01 0.03 -0.14 -0.04 1.64 1.50 2h47H1 LEU 209 HD13 -0.15 -0.02 -0.13 -0.04 0.93 0.59 2h47H1 LEU 209 HD23 -0.10 0.04 -0.34 -0.04 0.89 0.45 2h47H1 GLY 210 H -0.12 0.72 0.23 -0.55 8.43 8.71 2h47H1 GLY 210 HA2 -0.02 0.20 0.76 -0.51 4.01 4.44 2h47H1 GLY 210 HA3 -0.04 0.03 0.34 -0.51 4.01 3.83 2h47H1 GLU 211 H 0.02 0.21 0.14 -0.55 8.60 8.43 2h47H1 GLU 211 HA 0.16 0.09 0.32 -0.75 4.29 4.11 2h47H1 GLU 211 HB2 0.04 -0.00 0.06 -0.04 2.09 2.15 2h47H1 GLU 211 HB3 0.07 0.05 0.07 -0.04 1.99 2.14 2h47H1 GLU 211 HG2 0.06 0.03 0.07 -0.04 2.34 2.45 2h47H1 GLU 211 HG3 0.03 -0.03 0.13 -0.04 2.34 2.43 2h47H1 ASP 212 H 0.01 0.01 -0.49 -0.55 8.40 7.38 2h47H1 ASP 212 HA 0.08 0.17 0.53 -0.75 4.63 4.67 2h47H1 ASP 212 HB2 0.01 0.07 0.10 -0.04 2.71 2.85 2h47H1 ASP 212 HB3 0.01 0.01 0.02 -0.04 2.70 2.71 2h47H1 GLY 213 H -0.15 0.83 -0.38 -0.55 8.43 8.18 2h47H1 GLY 213 HA2 -1.19 0.02 0.21 -0.51 4.01 2.54 2h47H1 GLY 213 HA3 -0.49 0.08 0.42 -0.51 4.01 3.52 2h47H1 LYS 214 H -0.13 -0.02 -0.41 -0.55 8.42 7.31 2h47H1 LYS 214 HA -0.12 0.15 0.70 -0.75 4.32 4.29 2h47H1 LYS 214 HB2 -0.06 -0.05 -0.08 -0.04 1.87 1.64 2h47H1 LYS 214 HB3 -0.06 0.04 -0.02 -0.04 1.79 1.72 2h47H1 LYS 214 HG2 -0.07 0.03 -0.22 -0.04 1.46 1.16 2h47H1 LYS 214 HG3 -0.06 0.06 -0.22 -0.04 1.46 1.20 2h47H1 LYS 214 HD2 -0.02 -0.02 -0.06 -0.04 1.69 1.55 2h47H1 LYS 214 HD3 -0.03 -0.02 -0.03 -0.04 1.68 1.56 2h47H1 LYS 214 HE2 -0.02 0.14 -0.05 -0.04 2.99 3.02 2h47H1 LYS 214 HE3 -0.02 0.01 -0.06 -0.04 2.99 2.89 2h47H1 VAL 215 H -0.07 0.11 0.06 -0.55 8.24 7.78 2h47H1 VAL 215 HA -0.10 0.04 0.29 -0.75 4.13 3.61 2h47H1 VAL 215 HB -0.05 0.01 0.10 -0.04 2.12 2.14 2h47H1 VAL 215 HG13 -0.07 0.02 -0.28 -0.04 0.97 0.60 2h47H1 VAL 215 HG23 -0.05 -0.01 -0.02 -0.04 0.95 0.83 2h47H1 ALA 216 H -0.09 0.63 0.53 -0.55 8.40 8.92 2h47H1 ALA 216 HA -0.04 0.04 0.61 -0.75 4.34 4.19 2h47H1 ALA 216 HB3 -0.05 -0.01 -0.07 -0.04 1.41 1.25 2h47H1 SER 217 H -0.08 0.40 0.25 -0.55 8.46 8.48 2h47H1 SER 217 HA -0.05 0.08 0.45 -0.75 4.49 4.22 2h47H1 SER 217 HB2 -0.04 0.04 0.09 -0.04 3.95 3.99 2h47H1 SER 217 HB3 -0.04 0.16 -0.09 -0.04 3.93 3.93 2h47H1 GLN 218 H -0.05 0.24 0.20 -0.55 8.47 8.32 2h47H1 GLN 218 HA -0.10 0.35 0.97 -0.75 4.36 4.83 2h47H1 GLN 218 HB2 -0.06 0.02 0.07 -0.04 2.15 2.14 2h47H1 GLN 218 HB3 -0.08 -0.06 -0.06 -0.04 2.02 1.78 2h47H1 GLN 218 HG2 -0.04 -0.06 -0.03 -0.04 2.40 2.22 2h47H1 GLN 218 HG3 -0.04 0.02 -0.11 -0.04 2.39 2.23 2h47H1 GLN 218 HE21 -0.02 -0.02 -0.06 -0.04 6.97 6.83 2h47H1 GLN 218 HE22 -0.03 -0.03 -0.10 -0.04 7.69 7.49 2h47H1 SER 219 H -0.06 0.42 0.27 -0.55 8.46 8.54 2h47H1 SER 219 HA -0.02 0.06 0.61 -0.75 4.49 4.38 2h47H1 SER 219 HB2 -0.01 0.03 0.02 -0.04 3.95 3.94 2h47H1 SER 219 HB3 -0.02 0.11 -0.06 -0.04 3.93 3.92 2h47H1 ARG 220 H -0.02 0.17 0.18 -0.55 8.46 8.24 2h47H1 ARG 220 HA -0.02 0.19 0.98 -0.75 4.34 4.74 2h47H1 ARG 220 HB2 -0.02 -0.05 0.11 -0.04 1.90 1.90 2h47H1 ARG 220 HB3 -0.02 0.14 -0.05 -0.04 1.80 1.84 2h47H1 ARG 220 HG2 -0.02 0.00 -0.08 -0.04 1.67 1.54 2h47H1 ARG 220 HG3 -0.02 -0.04 -0.09 -0.04 1.67 1.48 2h47H1 ARG 220 HD2 -0.02 -0.01 -0.05 -0.04 3.22 3.10 2h47H1 ARG 220 HD3 -0.02 0.05 -0.07 -0.04 3.22 3.14 2h47H1 SER 221 H -0.01 0.34 0.27 -0.55 8.46 8.52 2h47H1 SER 221 HA 0.01 0.11 0.70 -0.75 4.49 4.56 2h47H1 SER 221 HB2 0.03 0.07 0.22 -0.04 3.95 4.24 2h47H1 SER 221 HB3 0.03 -0.00 0.18 -0.04 3.93 4.09 2h47H1 LYS 222 H 0.02 0.12 0.20 -0.55 8.42 8.21 2h47H1 LYS 222 HA -0.01 0.06 0.52 -0.75 4.32 4.14 2h47H1 LYS 222 HB2 0.02 0.03 0.10 -0.04 1.87 1.98 2h47H1 LYS 222 HB3 0.01 0.02 0.12 -0.04 1.79 1.90 2h47H1 LYS 222 HG2 0.00 0.00 0.05 -0.04 1.46 1.48 2h47H1 LYS 222 HG3 0.01 -0.04 0.09 -0.04 1.46 1.48 2h47H1 LYS 222 HD2 0.02 0.02 0.07 -0.04 1.69 1.76 2h47H1 LYS 222 HD3 0.01 0.01 0.04 -0.04 1.68 1.71 2h47H1 LYS 222 HE2 0.01 -0.01 0.02 -0.04 2.99 2.97 2h47H1 LYS 222 HE3 0.01 -0.01 0.03 -0.04 2.99 2.99 2h47H1 GLN 223 H -0.03 0.05 0.11 -0.55 8.47 8.06 2h47H1 GLN 223 HA -0.10 0.04 0.19 -0.75 4.36 3.74 2h47H1 GLN 223 HB2 -0.09 0.02 0.10 -0.04 2.15 2.14 2h47H1 GLN 223 HB3 -0.04 -0.06 0.05 -0.04 2.02 1.93 2h47H1 GLN 223 HG2 -0.11 -0.04 -0.45 -0.04 2.40 1.77 2h47H1 GLN 223 HG3 -0.25 0.09 0.06 -0.04 2.39 2.25 2h47H1 GLN 223 HE21 -0.10 -0.10 -0.11 -0.04 6.97 6.62 2h47H1 GLN 223 HE22 -0.14 -0.04 -0.59 -0.04 7.69 6.87 2h47H1 MET 224 H -0.13 0.94 0.44 -0.55 8.47 9.18 2h47H1 MET 224 HA 0.11 0.11 0.79 -0.75 4.52 4.78 2h47H1 MET 224 HB2 0.05 -0.06 0.10 -0.04 2.15 2.20 2h47H1 MET 224 HB3 0.10 0.08 0.15 -0.04 2.03 2.31 2h47H1 MET 224 HG2 0.07 -0.03 -0.20 -0.04 2.63 2.43 2h47H1 MET 224 HG3 0.25 0.02 0.14 -0.04 2.56 2.94 2h47H1 MET 224 HE3 -0.51 -0.00 -0.21 -0.04 2.10 1.34 2h47H1 PHE 225 H -0.39 0.36 0.28 -0.55 8.34 8.04 2h47H1 PHE 225 HA -0.15 0.17 0.67 -0.75 4.62 4.56 2h47H1 PHE 225 HB2 -0.71 0.11 -0.02 -0.04 3.15 2.49 2h47H1 PHE 225 HB3 -1.47 0.03 -0.30 -0.04 3.06 1.27 2h47H1 PHE 225 HD2 -0.30 0.17 -0.37 -0.04 7.28 6.74 2h47H1 PHE 225 HE2 -0.20 0.02 -0.15 -0.04 7.38 7.00 2h47H1 PHE 225 HZ -0.14 0.05 -0.09 -0.04 7.32 7.09 2h47H1 SER 226 H 0.09 0.20 0.03 -0.55 8.46 8.25 2h47H1 SER 226 HA -0.16 0.12 0.56 -0.75 4.49 4.25 2h47H1 SER 226 HB2 0.02 0.13 0.04 -0.04 3.95 4.09 2h47H1 SER 226 HB3 0.07 0.01 0.07 -0.04 3.93 4.04 2h47H1 VAL 227 H -0.24 0.22 0.12 -0.55 8.24 7.79 2h47H1 VAL 227 HA 0.09 0.09 0.31 -0.75 4.13 3.87 2h47H1 VAL 227 HB -0.13 -0.02 0.09 -0.04 2.12 2.02 2h47H1 VAL 227 HG13 -0.06 0.02 -0.04 -0.04 0.97 0.85 2h47H1 VAL 227 HG23 -0.31 0.07 -0.06 -0.04 0.95 0.61 2h47H1 LYS 228 H -0.05 -0.05 -0.22 -0.55 8.42 7.55 2h47H1 LYS 228 HA -0.04 0.19 0.55 -0.75 4.32 4.26 2h47H1 LYS 228 HB2 -0.04 -0.05 0.10 -0.04 1.87 1.85 2h47H1 LYS 228 HB3 -0.02 -0.01 0.06 -0.04 1.79 1.78 2h47H1 LYS 228 HG2 -0.03 0.05 0.02 -0.04 1.46 1.47 2h47H1 LYS 228 HG3 -0.03 0.00 0.00 -0.04 1.46 1.39 2h47H1 LYS 228 HD2 -0.01 0.00 -0.07 -0.04 1.69 1.57 2h47H1 LYS 228 HD3 -0.02 0.02 -0.03 -0.04 1.68 1.61 2h47H1 LYS 228 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 2h47H1 LYS 228 HE3 -0.02 0.00 -0.00 -0.04 2.99 2.93 2h47H1 ASP 229 H 0.01 -0.02 -0.04 -0.55 8.40 7.81 2h47H1 ASP 229 HA 0.05 0.17 0.46 -0.75 4.63 4.55 2h47H1 ASP 229 HB2 0.04 -0.02 0.00 -0.04 2.71 2.69 2h47H1 ASP 229 HB3 0.00 0.05 0.09 -0.04 2.70 2.80 2h47H1 ASP 230 H 0.10 0.28 -0.45 -0.55 8.40 7.79 2h47H1 ASP 230 HA 0.35 0.10 0.53 -0.75 4.63 4.86 2h47H1 ASP 230 HB2 0.21 0.09 -0.31 -0.04 2.71 2.66 2h47H1 ASP 230 HB3 0.24 -0.12 0.06 -0.04 2.70 2.84 2h47H1 PRO 231 HA -0.04 0.03 0.41 -0.51 4.44 4.33 2h47H1 PRO 231 HB2 -0.65 0.05 -0.01 -0.04 2.28 1.63 2h47H1 PRO 231 HB3 -0.27 0.21 0.14 -0.04 2.02 2.05 2h47H1 PRO 231 HG2 -1.33 -0.12 0.08 -0.04 2.03 0.62 2h47H1 PRO 231 HG3 -0.84 0.07 0.05 -0.04 2.03 1.27 2h47H1 PRO 231 HD2 -0.11 0.05 -0.03 -0.04 3.68 3.55 2h47H1 PRO 231 HD3 -0.11 0.32 -0.17 -0.04 3.65 3.65 2h47H1 ILE 232 H -0.77 0.12 0.10 -0.55 8.25 7.15 2h47H1 ILE 232 HA -0.11 0.10 0.99 -0.75 4.18 4.41 2h47H1 ILE 232 HB -0.11 0.13 -0.11 -0.04 1.89 1.75 2h47H1 ILE 232 HG12 -1.88 -0.08 -0.08 -0.04 1.49 -0.60 2h47H1 ILE 232 HG13 -0.41 -0.00 -0.44 -0.04 1.21 0.32 2h47H1 ILE 232 HG23 -0.76 -0.02 -0.26 -0.04 0.93 -0.15 2h47H1 ILE 232 HD13 -0.49 0.01 -0.22 -0.04 0.88 0.15 2h47H1 PHE 233 H 0.40 0.62 0.27 -0.55 8.34 9.07 2h47H1 PHE 233 HA 0.11 0.06 0.57 -0.75 4.62 4.60 2h47H1 PHE 233 HB2 0.08 0.03 0.15 -0.04 3.15 3.37 2h47H1 PHE 233 HB3 0.12 -0.08 0.10 -0.04 3.06 3.16 2h47H1 PHE 233 HD2 0.07 0.12 -0.06 -0.04 7.28 7.37 2h47H1 PHE 233 HE2 -0.07 0.18 -0.17 -0.04 7.38 7.28 2h47H1 PHE 233 HZ -0.19 0.25 -0.06 -0.04 7.32 7.28 2h47H1 ILE 234 H 0.15 0.14 0.15 -0.55 8.25 8.14 2h47H1 ILE 234 HA 0.19 0.12 0.31 -0.75 4.18 4.04 2h47H1 ILE 234 HB 0.13 -0.01 0.03 -0.04 1.89 2.01 2h47H1 ILE 234 HG12 -0.09 -0.00 0.10 -0.04 1.49 1.45 2h47H1 ILE 234 HG13 0.05 0.00 -0.20 -0.04 1.21 1.03 2h47H1 ILE 234 HG23 0.14 0.01 -0.02 -0.04 0.93 1.02 2h47H1 ILE 234 HD13 -0.39 -0.01 -0.05 -0.04 0.88 0.39 2h47H1 ALA 235 H 0.29 0.02 -0.36 -0.55 8.40 7.81 2h47H1 ALA 235 HA 0.17 0.07 0.58 -0.75 4.34 4.41 2h47H1 ALA 235 HB3 0.19 0.02 0.17 -0.04 1.41 1.74 2h47H1 PRO 236 HA -0.43 0.31 0.87 -0.51 4.44 4.68 2h47H1 PRO 236 HB2 -0.30 -0.05 -0.13 -0.04 2.28 1.76 2h47H1 PRO 236 HB3 -0.38 0.06 -0.09 -0.04 2.02 1.57 2h47H1 PRO 236 HG2 -0.02 -0.04 0.12 -0.04 2.03 2.05 2h47H1 PRO 236 HG3 0.04 0.05 0.06 -0.04 2.03 2.14 2h47H1 PRO 236 HD2 0.07 -0.03 0.32 -0.04 3.68 4.00 2h47H1 PRO 236 HD3 0.12 0.47 0.32 -0.04 3.65 4.53 2h47H1 ALA 237 H -0.30 0.74 0.21 -0.55 8.40 8.50 2h47H1 ALA 237 HA -0.01 0.04 0.56 -0.75 4.34 4.18 2h47H1 ALA 237 HB3 0.07 -0.02 0.03 -0.04 1.41 1.45 2h47H1 LEU 238 H -0.01 0.27 -0.04 -0.55 8.37 8.04 2h47H1 LEU 238 HA 0.02 0.08 0.79 -0.75 4.35 4.48 2h47H1 LEU 238 HB2 0.01 -0.01 0.04 -0.04 1.64 1.64 2h47H1 LEU 238 HB3 0.03 -0.04 0.18 -0.04 1.64 1.77 2h47H1 LEU 238 HG 0.10 0.16 -0.10 -0.04 1.64 1.77 2h47H1 LEU 238 HD13 0.17 -0.01 -0.05 -0.04 0.93 1.00 2h47H1 LEU 238 HD23 0.05 0.03 0.05 -0.04 0.89 0.98 2h47H1 ASP 239 H 0.04 0.64 0.42 -0.55 8.40 8.95 2h47H1 ASP 239 HA 0.03 0.10 0.75 -0.75 4.63 4.76 2h47H1 ASP 239 HB2 0.06 0.06 0.02 -0.04 2.71 2.80 2h47H1 ASP 239 HB3 -0.04 -0.05 0.13 -0.04 2.70 2.70 2h47H1 LYS 240 H 0.00 0.12 0.15 -0.55 8.42 8.14 2h47H1 LYS 240 HA 0.07 0.14 0.42 -0.75 4.32 4.20 2h47H1 LYS 240 HB2 0.01 -0.01 0.13 -0.04 1.87 1.95 2h47H1 LYS 240 HB3 -0.01 -0.01 0.04 -0.04 1.79 1.77 2h47H1 LYS 240 HG2 0.02 0.01 -0.03 -0.04 1.46 1.42 2h47H1 LYS 240 HG3 0.05 0.01 -0.12 -0.04 1.46 1.36 2h47H1 LYS 240 HD2 0.05 0.01 0.00 -0.04 1.69 1.70 2h47H1 LYS 240 HD3 0.02 -0.05 0.01 -0.04 1.68 1.62 2h47H1 LYS 240 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.93 2h47H1 LYS 240 HE3 0.04 0.13 -0.04 -0.04 2.99 3.07 2h47H1 ASP 241 H -0.13 0.03 -0.08 -0.55 8.40 7.67 2h47H1 ASP 241 HA -0.40 0.26 0.81 -0.75 4.63 4.55 2h47H1 ASP 241 HB2 -0.25 -0.03 0.06 -0.04 2.71 2.45 2h47H1 ASP 241 HB3 -0.08 0.08 -0.15 -0.04 2.70 2.51 2h47H1 LYS 242 H -0.31 0.25 -0.16 -0.55 8.42 7.64 2h47H1 LYS 242 HA -0.62 0.32 0.63 -0.75 4.32 3.90 2h47H1 LYS 242 HB2 -0.23 0.03 -0.11 -0.04 1.87 1.52 2h47H1 LYS 242 HB3 -0.29 0.06 -0.06 -0.04 1.79 1.46 2h47H1 LYS 242 HG2 -0.16 -0.23 -0.15 -0.04 1.46 0.88 2h47H1 LYS 242 HG3 -0.19 0.05 -0.20 -0.04 1.46 1.08 2h47H1 LYS 242 HD2 0.01 0.03 -0.11 -0.04 1.69 1.58 2h47H1 LYS 242 HD3 -0.05 0.05 -0.13 -0.04 1.68 1.52 2h47H1 LYS 242 HE2 -0.13 0.03 -0.15 -0.04 2.99 2.70 2h47H1 LYS 242 HE3 -0.10 -0.10 -0.15 -0.04 2.99 2.60 2h47H1 ALA 243 H 0.07 0.41 0.22 -0.55 8.40 8.56 2h47H1 ALA 243 HA -0.12 0.29 0.97 -0.75 4.34 4.73 2h47H1 ALA 243 HB3 0.06 0.01 -0.09 -0.04 1.41 1.35 2h47H1 HIS 244 H -0.14 0.49 0.25 -0.55 8.41 8.47 2h47H1 HIS 244 HA 0.21 0.33 0.97 -0.75 4.63 5.38 2h47H1 HIS 244 HB2 0.00 -0.06 0.08 -0.04 3.26 3.24 2h47H1 HIS 244 HB3 0.10 0.06 0.04 -0.04 3.20 3.36 2h47H1 HIS 244 HD2 0.05 0.06 -0.07 -0.04 6.97 6.97 2h47H1 HIS 244 HE1 0.13 0.02 -0.14 -0.04 7.75 7.72 2h47H1 PHE 245 H 0.41 0.56 0.28 -0.55 8.34 9.04 2h47H1 PHE 245 HA 0.08 0.20 0.82 -0.75 4.62 4.97 2h47H1 PHE 245 HB2 0.07 -0.12 -0.08 -0.04 3.15 2.98 2h47H1 PHE 245 HB3 0.02 0.18 -0.05 -0.04 3.06 3.17 2h47H1 PHE 245 HD2 0.09 0.13 -0.36 -0.04 7.28 7.10 2h47H1 PHE 245 HE2 0.09 0.04 -0.25 -0.04 7.38 7.23 2h47H1 PHE 245 HZ 0.10 -0.03 -0.21 -0.04 7.32 7.14 2h47H1 VAL 246 H 0.13 0.21 0.16 -0.55 8.24 8.19 2h47H1 VAL 246 HA 0.02 0.36 1.03 -0.75 4.13 4.79 2h47H1 VAL 246 HB -0.05 0.07 0.08 -0.04 2.12 2.17 2h47H1 VAL 246 HG13 -0.11 -0.00 -0.12 -0.04 0.97 0.70 2h47H1 VAL 246 HG23 -0.15 -0.00 -0.06 -0.04 0.95 0.70 2h47H1 SER 247 H 0.11 0.38 0.20 -0.55 8.46 8.60 2h47H1 SER 247 HA 0.17 0.21 0.98 -0.75 4.49 5.09 2h47H1 SER 247 HB2 0.13 0.18 -0.11 -0.04 3.95 4.11 2h47H1 SER 247 HB3 0.26 0.04 -0.17 -0.04 3.93 4.02 2h47H1 TYR 248 H 0.08 0.72 0.23 -0.55 8.29 8.77 2h47H1 TYR 248 HA -0.03 0.12 0.41 -0.75 4.56 4.31 2h47H1 TYR 248 HB2 -0.72 0.00 0.13 -0.04 3.06 2.43 2h47H1 TYR 248 HB3 -0.74 -0.01 -0.04 -0.04 2.98 2.15 2h47H1 TYR 248 HD2 -0.60 -0.03 -0.03 -0.04 7.15 6.44 2h47H1 TYR 248 HE2 -0.91 -0.03 -0.07 -0.04 6.85 5.80 2h47H1 TYR 249 H 0.02 0.02 -0.28 -0.55 8.29 7.49 2h47H1 TYR 249 HA 0.07 0.25 0.67 -0.75 4.56 4.80 2h47H1 TYR 249 HB2 0.08 -0.07 0.00 -0.04 3.06 3.03 2h47H1 TYR 249 HB3 0.06 0.04 0.12 -0.04 2.98 3.15 2h47H1 TYR 249 HD2 0.05 0.01 0.00 -0.04 7.15 7.18 2h47H1 TYR 249 HE2 0.01 0.04 -0.12 -0.04 6.85 6.75 2h47H1 GLY 250 H 0.12 0.50 -0.35 -0.55 8.43 8.15 2h47H1 GLY 250 HA2 0.00 0.08 0.31 -0.51 4.01 3.89 2h47H1 GLY 250 HA3 0.06 0.17 0.68 -0.51 4.01 4.40 2h47H1 ASN 251 H 0.09 -0.06 -0.05 -0.55 8.53 7.96 2h47H1 ASN 251 HA -0.13 0.23 0.69 -0.75 4.76 4.80 2h47H1 ASN 251 HB2 0.14 -0.05 -0.04 -0.04 2.88 2.89 2h47H1 ASN 251 HB3 -0.18 -0.06 -0.01 -0.04 2.79 2.49 2h47H1 ASN 251 HD21 0.12 0.06 -0.10 -0.04 7.03 7.06 2h47H1 ASN 251 HD22 0.22 -0.03 -0.09 -0.04 7.74 7.80 2h47H1 VAL 252 H -0.49 0.12 0.20 -0.55 8.24 7.51 2h47H1 VAL 252 HA -0.20 0.34 1.04 -0.75 4.13 4.56 2h47H1 VAL 252 HB -2.50 -0.08 0.12 -0.04 2.12 -0.38 2h47H1 VAL 252 HG13 -0.24 0.00 -0.13 -0.04 0.97 0.56 2h47H1 VAL 252 HG23 -1.13 0.02 -0.30 -0.04 0.95 -0.50 2h47H1 TYR 253 H 0.27 0.68 0.35 -0.55 8.29 9.05 2h47H1 TYR 253 HA 0.16 0.20 1.08 -0.75 4.56 5.24 2h47H1 TYR 253 HB2 0.09 -0.05 0.01 -0.04 3.06 3.07 2h47H1 TYR 253 HB3 0.12 0.07 0.16 -0.04 2.98 3.29 2h47H1 TYR 253 HD2 0.06 0.13 -0.12 -0.04 7.15 7.19 2h47H1 TYR 253 HE2 0.09 0.05 -0.10 -0.04 6.85 6.84 2h47H1 SER 254 H 0.34 0.46 0.31 -0.55 8.46 9.02 2h47H1 SER 254 HA 0.36 0.32 0.97 -0.75 4.49 5.38 2h47H1 SER 254 HB2 0.22 -0.04 -0.06 -0.04 3.95 4.04 2h47H1 SER 254 HB3 0.14 -0.03 -0.07 -0.04 3.93 3.92 2h47H1 ALA 255 H 0.22 0.53 0.20 -0.55 8.40 8.81 2h47H1 ALA 255 HA 0.17 0.19 0.81 -0.75 4.34 4.76 2h47H1 ALA 255 HB3 0.33 -0.01 -0.04 -0.04 1.41 1.66 2h47H1 ASP 256 H 0.08 0.70 0.11 -0.55 8.40 8.74 2h47H1 ASP 256 HA -0.21 0.12 0.89 -0.75 4.63 4.67 2h47H1 ASP 256 HB2 -0.01 0.02 0.10 -0.04 2.71 2.77 2h47H1 ASP 256 HB3 0.01 0.02 0.29 -0.04 2.70 2.98 2h47H1 PHE 257 H -0.81 0.57 0.17 -0.55 8.34 7.72 2h47H1 PHE 257 HA 0.02 0.16 0.71 -0.75 4.62 4.75 2h47H1 PHE 257 HB2 0.02 0.05 0.03 -0.04 3.15 3.20 2h47H1 PHE 257 HB3 0.03 -0.04 -0.21 -0.04 3.06 2.80 2h47H1 PHE 257 HD2 0.04 0.02 -0.16 -0.04 7.28 7.14 2h47H1 PHE 257 HE2 0.04 0.02 -0.11 -0.04 7.38 7.28 2h47H1 PHE 257 HZ 0.02 0.15 -0.22 -0.04 7.32 7.23 2h47H1 SER 258 H -0.10 0.06 -0.12 -0.55 8.46 7.76 2h47H1 SER 258 HA -0.01 0.12 0.59 -0.75 4.49 4.43 2h47H1 SER 258 HB2 -0.04 0.00 0.08 -0.04 3.95 3.95 2h47H1 SER 258 HB3 -0.12 -0.01 0.10 -0.04 3.93 3.86 2h47H1 GLY 259 H 0.03 0.01 -0.25 -0.55 8.43 7.67 2h47H1 GLY 259 HA2 0.02 0.18 0.70 -0.51 4.01 4.40 2h47H1 GLY 259 HA3 0.02 -0.02 0.29 -0.51 4.01 3.80 2h47H1 ASP 260 H 0.02 0.08 0.11 -0.55 8.40 8.06 2h47H1 ASP 260 HA 0.03 0.15 0.45 -0.75 4.63 4.50 2h47H1 ASP 260 HB2 0.01 -0.03 0.05 -0.04 2.71 2.70 2h47H1 ASP 260 HB3 0.01 0.02 0.02 -0.04 2.70 2.71 2h47H1 GLU 261 H 0.03 0.00 -0.06 -0.55 8.60 8.03 2h47H1 GLU 261 HA 0.03 0.20 0.77 -0.75 4.29 4.53 2h47H1 GLU 261 HB2 0.02 -0.01 -0.09 -0.04 2.09 1.98 2h47H1 GLU 261 HB3 0.02 0.06 -0.02 -0.04 1.99 2.01 2h47H1 GLU 261 HG2 0.01 -0.11 -0.04 -0.04 2.34 2.17 2h47H1 GLU 261 HG3 0.01 0.04 -0.05 -0.04 2.34 2.30 2h47H1 VAL 262 H 0.05 0.13 0.02 -0.55 8.24 7.89 2h47H1 VAL 262 HA 0.11 0.30 0.56 -0.75 4.13 4.35 2h47H1 VAL 262 HB 0.06 -0.04 0.09 -0.04 2.12 2.19 2h47H1 VAL 262 HG13 0.12 -0.03 -0.36 -0.04 0.97 0.66 2h47H1 VAL 262 HG23 0.15 0.01 -0.18 -0.04 0.95 0.88 2h47H1 LYS 263 H 0.06 0.57 0.36 -0.55 8.42 8.86 2h47H1 LYS 263 HA 0.05 0.07 0.81 -0.75 4.32 4.49 2h47H1 LYS 263 HB2 0.04 -0.02 0.26 -0.04 1.87 2.10 2h47H1 LYS 263 HB3 0.04 0.04 0.08 -0.04 1.79 1.91 2h47H1 LYS 263 HG2 0.03 -0.03 0.03 -0.04 1.46 1.45 2h47H1 LYS 263 HG3 0.03 0.03 0.05 -0.04 1.46 1.53 2h47H1 LYS 263 HD2 0.03 0.15 -0.07 -0.04 1.69 1.77 2h47H1 LYS 263 HD3 0.02 -0.06 -0.03 -0.04 1.68 1.57 2h47H1 LYS 263 HE2 0.04 0.14 -0.43 -0.04 2.99 2.69 2h47H1 LYS 263 HE3 0.03 -0.09 -0.33 -0.04 2.99 2.56 2h47H1 VAL 264 H 0.07 0.13 0.20 -0.55 8.24 8.08 2h47H1 VAL 264 HA 0.13 0.27 0.93 -0.75 4.13 4.70 2h47H1 VAL 264 HB 0.13 0.03 0.22 -0.04 2.12 2.46 2h47H1 VAL 264 HG13 0.07 -0.01 -0.02 -0.04 0.97 0.97 2h47H1 VAL 264 HG23 0.08 0.02 -0.17 -0.04 0.95 0.83 2h47H1 ASP 265 H 0.21 0.37 0.44 -0.55 8.40 8.86 2h47H1 ASP 265 HA 0.13 0.15 0.62 -0.75 4.63 4.78 2h47H1 ASP 265 HB2 0.11 0.07 -0.40 -0.04 2.71 2.46 2h47H1 ASP 265 HB3 0.17 -0.06 -0.06 -0.04 2.70 2.70 2h47H1 GLY 266 H 0.12 0.14 0.19 -0.55 8.43 8.32 2h47H1 GLY 266 HA2 0.05 0.00 0.42 -0.51 4.01 3.97 2h47H1 GLY 266 HA3 -0.23 0.19 1.07 -0.51 4.01 4.52 2h47H1 PRO 267 HA -0.49 0.31 0.54 -0.51 4.44 4.30 2h47H1 PRO 267 HB2 -0.35 -0.08 -0.06 -0.04 2.28 1.74 2h47H1 PRO 267 HB3 -1.44 0.05 -0.02 -0.04 2.02 0.57 2h47H1 PRO 267 HG2 -0.04 0.01 0.11 -0.04 2.03 2.07 2h47H1 PRO 267 HG3 0.03 0.01 0.03 -0.04 2.03 2.07 2h47H1 PRO 267 HD2 0.01 0.06 0.42 -0.04 3.68 4.13 2h47H1 PRO 267 HD3 0.05 0.14 0.02 -0.04 3.65 3.82 2h47H1 TRP 268 H -0.23 0.41 0.32 -0.55 7.97 7.92 2h47H1 TRP 268 HA -0.03 0.18 0.98 -0.75 4.62 5.00 2h47H1 TRP 268 HB2 -0.02 0.10 0.03 -0.04 3.23 3.30 2h47H1 TRP 268 HB3 -0.03 -0.00 0.02 -0.04 3.23 3.18 2h47H1 TRP 268 HD1 -0.02 -0.04 0.01 -0.04 7.22 7.13 2h47H1 TRP 268 HE1 0.04 -0.02 -0.14 -0.04 10.20 10.05 2h47H1 TRP 268 HE3 -0.01 0.20 -0.35 -0.04 7.59 7.39 2h47H1 TRP 268 HZ2 -0.14 -0.03 -0.12 -0.04 7.44 7.11 2h47H1 TRP 268 HZ3 -0.01 0.06 -0.30 -0.04 7.13 6.83 2h47H1 TRP 268 HH2 -0.07 -0.07 -0.25 -0.04 7.19 6.76 2h47H1 SER 269 H 0.19 0.15 0.14 -0.55 8.46 8.39 2h47H1 SER 269 HA -0.01 0.13 0.65 -0.75 4.49 4.50 2h47H1 SER 269 HB2 0.08 -0.01 0.09 -0.04 3.95 4.07 2h47H1 SER 269 HB3 0.12 0.06 0.12 -0.04 3.93 4.19 2h47H1 LEU 270 H -0.02 0.78 0.35 -0.55 8.37 8.94 2h47H1 LEU 270 HA 0.17 0.07 0.40 -0.75 4.35 4.24 2h47H1 LEU 270 HB2 0.06 0.07 0.05 -0.04 1.64 1.77 2h47H1 LEU 270 HB3 0.22 -0.09 0.00 -0.04 1.64 1.73 2h47H1 LEU 270 HG -0.30 0.11 -0.16 -0.04 1.64 1.25 2h47H1 LEU 270 HD13 -0.10 -0.03 -0.12 -0.04 0.93 0.64 2h47H1 LEU 270 HD23 -0.23 -0.02 -0.17 -0.04 0.89 0.42 2h47H1 LEU 271 H 0.13 0.05 -0.26 -0.55 8.37 7.74 2h47H1 LEU 271 HA 0.23 0.09 0.87 -0.75 4.35 4.79 2h47H1 LEU 271 HB2 0.13 -0.01 0.04 -0.04 1.64 1.76 2h47H1 LEU 271 HB3 0.19 -0.05 -0.11 -0.04 1.64 1.63 2h47H1 LEU 271 HG 0.14 -0.04 -0.00 -0.04 1.64 1.69 2h47H1 LEU 271 HD13 0.14 0.04 -0.03 -0.04 0.93 1.05 2h47H1 LEU 271 HD23 0.30 -0.01 -0.30 -0.04 0.89 0.84 2h47H1 ASN 272 H 0.03 0.06 0.15 -0.55 8.53 8.22 2h47H1 ASN 272 HA 0.04 0.24 0.61 -0.75 4.76 4.89 2h47H1 ASN 272 HB2 -0.01 -0.05 0.20 -0.04 2.88 2.98 2h47H1 ASN 272 HB3 -0.03 0.14 0.11 -0.04 2.79 2.96 2h47H1 ASN 272 HD21 -0.18 0.03 0.01 -0.04 7.03 6.85 2h47H1 ASN 272 HD22 -0.15 0.11 0.05 -0.04 7.74 7.72 2h47H1 ASP 273 H 0.02 0.19 0.16 -0.55 8.40 8.23 2h47H1 ASP 273 HA 0.06 0.17 0.41 -0.75 4.63 4.51 2h47H1 ASP 273 HB2 0.02 -0.02 0.16 -0.04 2.71 2.83 2h47H1 ASP 273 HB3 0.03 0.05 0.02 -0.04 2.70 2.76 2h47H1 GLU 274 H 0.02 0.10 -0.07 -0.55 8.60 8.10 2h47H1 GLU 274 HA 0.07 0.13 0.45 -0.75 4.29 4.18 2h47H1 GLU 274 HB2 0.01 0.01 0.10 -0.04 2.09 2.17 2h47H1 GLU 274 HB3 0.00 -0.00 0.02 -0.04 1.99 1.96 2h47H1 GLU 274 HG2 0.10 0.01 -0.03 -0.04 2.34 2.37 2h47H1 GLU 274 HG3 0.05 0.03 0.04 -0.04 2.34 2.41 2h47H1 ASP 275 H 0.06 0.06 -0.36 -0.55 8.40 7.62 2h47H1 ASP 275 HA 0.32 0.09 0.40 -0.75 4.63 4.69 2h47H1 ASP 275 HB2 0.18 0.11 0.06 -0.04 2.71 3.02 2h47H1 ASP 275 HB3 0.39 0.06 -0.00 -0.04 2.70 3.11 2h47H1 LYS 276 H 0.14 0.32 -0.28 -0.55 8.42 8.04 2h47H1 LYS 276 HA 0.16 0.12 0.50 -0.75 4.32 4.35 2h47H1 LYS 276 HB2 0.08 0.07 0.11 -0.04 1.87 2.09 2h47H1 LYS 276 HB3 0.08 -0.00 0.02 -0.04 1.79 1.85 2h47H1 LYS 276 HG2 0.11 0.03 -0.03 -0.04 1.46 1.52 2h47H1 LYS 276 HG3 0.10 0.21 -0.15 -0.04 1.46 1.59 2h47H1 LYS 276 HD2 0.06 -0.07 -0.07 -0.04 1.69 1.57 2h47H1 LYS 276 HD3 0.06 -0.01 -0.02 -0.04 1.68 1.67 2h47H1 LYS 276 HE2 0.08 -0.00 -0.03 -0.04 2.99 2.99 2h47H1 LYS 276 HE3 0.07 0.16 -0.11 -0.04 2.99 3.07 2h47H1 ALA 277 H 0.12 0.33 -0.22 -0.55 8.40 8.08 2h47H1 ALA 277 HA 0.07 0.06 0.46 -0.75 4.34 4.17 2h47H1 ALA 277 HB3 0.08 0.02 0.11 -0.04 1.41 1.57 2h47H1 LYS 278 H 0.22 0.29 -0.25 -0.55 8.42 8.12 2h47H1 LYS 278 HA 0.06 0.10 0.57 -0.75 4.32 4.29 2h47H1 LYS 278 HB2 0.57 0.03 0.10 -0.04 1.87 2.53 2h47H1 LYS 278 HB3 0.04 -0.07 0.07 -0.04 1.79 1.79 2h47H1 LYS 278 HG2 0.21 0.04 0.01 -0.04 1.46 1.68 2h47H1 LYS 278 HG3 0.38 -0.05 -0.00 -0.04 1.46 1.75 2h47H1 LYS 278 HD2 0.07 -0.01 0.04 -0.04 1.69 1.74 2h47H1 LYS 278 HD3 0.08 0.07 -0.02 -0.04 1.68 1.76 2h47H1 LYS 278 HE2 0.10 -0.02 -0.03 -0.04 2.99 3.01 2h47H1 LYS 278 HE3 0.14 -0.02 -0.01 -0.04 2.99 3.05 2h47H1 ASN 279 H 0.15 0.12 -0.64 -0.55 8.53 7.61 2h47H1 ASN 279 HA 0.09 0.11 0.34 -0.75 4.76 4.55 2h47H1 ASN 279 HB2 -0.05 0.08 0.02 -0.04 2.88 2.89 2h47H1 ASN 279 HB3 -0.02 0.05 0.25 -0.04 2.79 3.03 2h47H1 ASN 279 HD21 0.02 -0.06 -0.02 -0.04 7.03 6.92 2h47H1 ASN 279 HD22 0.00 -0.03 -0.14 -0.04 7.74 7.53 2h47H1 TRP 280 H 0.44 0.42 0.06 -0.55 7.97 8.34 2h47H1 TRP 280 HA -0.16 0.20 0.53 -0.75 4.62 4.44 2h47H1 TRP 280 HB2 0.15 -0.07 -0.01 -0.04 3.23 3.26 2h47H1 TRP 280 HB3 -0.30 0.00 -0.12 -0.04 3.23 2.77 2h47H1 TRP 280 HD1 0.16 0.12 0.06 -0.04 7.22 7.52 2h47H1 TRP 280 HE1 0.15 -0.01 -0.05 -0.04 10.20 10.24 2h47H1 TRP 280 HE3 -0.33 0.02 -0.39 -0.04 7.59 6.85 2h47H1 TRP 280 HZ2 0.17 -0.01 -0.08 -0.04 7.44 7.48 2h47H1 TRP 280 HZ3 0.07 0.10 -0.31 -0.04 7.13 6.96 2h47H1 TRP 280 HH2 0.21 0.01 -0.14 -0.04 7.19 7.22 2h47H1 VAL 281 H -0.26 0.44 0.29 -0.55 8.24 8.17 2h47H1 VAL 281 HA -0.06 0.04 0.40 -0.75 4.13 3.76 2h47H1 VAL 281 HB -0.03 0.30 0.17 -0.04 2.12 2.52 2h47H1 VAL 281 HG13 0.03 -0.02 -0.36 -0.04 0.97 0.57 2h47H1 VAL 281 HG23 -0.28 -0.00 -0.15 -0.04 0.95 0.48 2h47H1 PRO 282 HA -0.15 0.26 0.69 -0.51 4.44 4.73 2h47H1 PRO 282 HB2 -0.19 0.01 -0.02 -0.04 2.28 2.04 2h47H1 PRO 282 HB3 -0.35 -0.00 0.04 -0.04 2.02 1.67 2h47H1 PRO 282 HG2 -0.04 -0.01 0.05 -0.04 2.03 1.99 2h47H1 PRO 282 HG3 -0.16 -0.01 -0.04 -0.04 2.03 1.78 2h47H1 PRO 282 HD2 0.06 0.26 0.15 -0.04 3.68 4.11 2h47H1 PRO 282 HD3 -0.05 0.03 0.09 -0.04 3.65 3.68 2h47H1 GLY 283 H -0.03 0.59 0.32 -0.55 8.43 8.76 2h47H1 GLY 283 HA2 0.13 0.32 0.74 -0.51 4.01 4.68 2h47H1 GLY 283 HA3 0.11 0.04 0.17 -0.51 4.01 3.82 2h47H1 GLY 284 H 0.01 0.56 0.43 -0.55 8.43 8.88 2h47H1 GLY 284 HA2 -0.05 0.07 0.34 -0.51 4.01 3.86 2h47H1 GLY 284 HA3 0.11 0.15 0.88 -0.51 4.01 4.64 2h47H1 TYR 285 H 0.24 0.59 0.24 -0.55 8.29 8.81 2h47H1 TYR 285 HA 0.26 0.14 0.89 -0.75 4.56 5.10 2h47H1 TYR 285 HB2 -0.10 0.02 0.21 -0.04 3.06 3.15 2h47H1 TYR 285 HB3 -0.48 -0.04 0.07 -0.04 2.98 2.49 2h47H1 TYR 285 HD2 -0.15 0.01 0.00 -0.04 7.15 6.97 2h47H1 TYR 285 HE2 -0.00 0.04 -0.02 -0.04 6.85 6.82 2h47H1 ASN 286 H 0.16 0.25 0.23 -0.55 8.53 8.63 2h47H1 ASN 286 HA 0.18 0.06 0.82 -0.75 4.76 5.06 2h47H1 ASN 286 HB2 0.09 -0.04 0.51 -0.04 2.88 3.40 2h47H1 ASN 286 HB3 0.08 0.15 0.44 -0.04 2.79 3.42 2h47H1 ASN 286 HD21 -0.03 0.22 0.27 -0.04 7.03 7.45 2h47H1 ASN 286 HD22 -0.00 0.29 0.38 -0.04 7.74 8.37 2h47H1 LEU 287 H 0.07 0.44 -0.59 -0.55 8.37 7.75 2h47H1 LEU 287 HA -0.02 0.13 0.50 -0.75 4.35 4.21 2h47H1 LEU 287 HB2 0.00 0.10 0.06 -0.04 1.64 1.76 2h47H1 LEU 287 HB3 -0.01 -0.09 -0.29 -0.04 1.64 1.20 2h47H1 LEU 287 HG -0.38 -0.06 -0.24 -0.04 1.64 0.92 2h47H1 LEU 287 HD13 -1.03 0.03 -0.23 -0.04 0.93 -0.33 2h47H1 LEU 287 HD23 -0.25 0.01 -0.09 -0.04 0.89 0.52 2h47H1 VAL 288 H -0.08 0.12 -0.31 -0.55 8.24 7.43 2h47H1 VAL 288 HA -0.21 0.45 0.94 -0.75 4.13 4.55 2h47H1 VAL 288 HB -0.07 -0.04 0.05 -0.04 2.12 2.03 2h47H1 VAL 288 HG13 -0.16 -0.04 -0.23 -0.04 0.97 0.51 2h47H1 VAL 288 HG23 -0.04 -0.01 -0.44 -0.04 0.95 0.42 2h47H1 GLY 289 H -0.01 0.38 0.25 -0.55 8.43 8.50 2h47H1 GLY 289 HA2 -0.01 0.10 0.53 -0.51 4.01 4.12 2h47H1 GLY 289 HA3 -0.04 0.03 0.25 -0.51 4.01 3.73 2h47H1 LEU 290 H 0.03 0.21 0.18 -0.55 8.37 8.25 2h47H1 LEU 290 HA 0.16 0.35 1.21 -0.75 4.35 5.32 2h47H1 LEU 290 HB2 0.10 -0.05 -0.26 -0.04 1.64 1.39 2h47H1 LEU 290 HB3 0.06 0.11 -0.08 -0.04 1.64 1.69 2h47H1 LEU 290 HG 0.07 -0.14 -0.60 -0.04 1.64 0.93 2h47H1 LEU 290 HD13 0.12 0.10 -0.36 -0.04 0.93 0.75 2h47H1 LEU 290 HD23 0.13 0.05 -0.39 -0.04 0.89 0.64 2h47H1 HIS 291 H 0.28 0.82 0.15 -0.55 8.41 9.12 2h47H1 HIS 291 HA 0.00 0.11 0.73 -0.75 4.63 4.72 2h47H1 HIS 291 HB2 0.04 0.07 -0.00 -0.04 3.26 3.33 2h47H1 HIS 291 HB3 0.18 -0.01 0.21 -0.04 3.20 3.54 2h47H1 HIS 291 HD2 -0.05 0.03 -0.02 -0.04 6.97 6.89 2h47H1 HIS 291 HE1 0.02 0.06 -0.06 -0.04 7.75 7.72 2h47H1 ARG 292 H -0.11 0.34 -0.03 -0.55 8.46 8.10 2h47H1 ARG 292 HA -0.00 0.05 0.26 -0.75 4.34 3.89 2h47H1 ARG 292 HB2 -0.11 -0.02 0.12 -0.04 1.90 1.84 2h47H1 ARG 292 HB3 -0.04 -0.01 0.03 -0.04 1.80 1.74 2h47H1 ARG 292 HG2 0.01 -0.02 0.09 -0.04 1.67 1.71 2h47H1 ARG 292 HG3 -0.03 0.13 0.11 -0.04 1.67 1.84 2h47H1 ARG 292 HD2 -0.03 -0.02 0.06 -0.04 3.22 3.19 2h47H1 ARG 292 HD3 -0.01 -0.13 0.05 -0.04 3.22 3.09 2h47H1 ALA 293 H -0.37 0.10 -0.13 -0.55 8.40 7.46 2h47H1 ALA 293 HA -0.04 0.09 0.41 -0.75 4.34 4.04 2h47H1 ALA 293 HB3 -0.08 0.02 0.05 -0.04 1.41 1.36 2h47H1 SER 294 H 0.16 0.18 -0.19 -0.55 8.46 8.07 2h47H1 SER 294 HA 0.09 0.20 0.78 -0.75 4.49 4.80 2h47H1 SER 294 HB2 0.10 0.01 0.05 -0.04 3.95 4.07 2h47H1 SER 294 HB3 0.22 0.04 -0.01 -0.04 3.93 4.14 2h47H1 GLY 295 H 0.08 0.30 -0.11 -0.55 8.43 8.16 2h47H1 GLY 295 HA2 0.06 0.01 0.22 -0.51 4.01 3.79 2h47H1 GLY 295 HA3 0.03 0.04 0.50 -0.51 4.01 4.07 2h47H1 ARG 296 H 0.17 0.09 -0.23 -0.55 8.46 7.93 2h47H1 ARG 296 HA -0.01 0.35 0.75 -0.75 4.34 4.67 2h47H1 ARG 296 HB2 0.23 -0.08 0.05 -0.04 1.90 2.06 2h47H1 ARG 296 HB3 -0.19 0.05 -0.09 -0.04 1.80 1.52 2h47H1 ARG 296 HG2 -0.04 0.01 -0.16 -0.04 1.67 1.44 2h47H1 ARG 296 HG3 0.06 -0.05 -0.15 -0.04 1.67 1.49 2h47H1 ARG 296 HD2 -0.12 0.06 -0.12 -0.04 3.22 3.00 2h47H1 ARG 296 HD3 -0.04 -0.03 -0.11 -0.04 3.22 3.00 2h47H1 MET 297 H -0.05 0.70 0.39 -0.55 8.47 8.96 2h47H1 MET 297 HA 0.16 0.23 1.05 -0.75 4.52 5.20 2h47H1 MET 297 HB2 0.02 -0.02 -0.06 -0.04 2.15 2.04 2h47H1 MET 297 HB3 0.02 -0.04 0.09 -0.04 2.03 2.05 2h47H1 MET 297 HG2 -0.00 0.04 -0.39 -0.04 2.63 2.23 2h47H1 MET 297 HG3 0.04 0.01 -0.04 -0.04 2.56 2.52 2h47H1 MET 297 HE3 -0.10 -0.00 -0.18 -0.04 2.10 1.78 2h47H1 TYR 298 H 0.32 0.57 0.30 -0.55 8.29 8.94 2h47H1 TYR 298 HA -0.03 0.36 1.02 -0.75 4.56 5.15 2h47H1 TYR 298 HB2 -0.13 -0.07 -0.03 -0.04 3.06 2.78 2h47H1 TYR 298 HB3 -0.14 0.04 -0.09 -0.04 2.98 2.75 2h47H1 TYR 298 HD2 -0.05 0.04 -0.18 -0.04 7.15 6.92 2h47H1 TYR 298 HE2 -0.01 0.01 -0.18 -0.04 6.85 6.63 2h47H1 VAL 299 H -0.01 0.52 0.29 -0.55 8.24 8.49 2h47H1 VAL 299 HA -0.25 0.38 0.96 -0.75 4.13 4.47 2h47H1 VAL 299 HB -0.08 -0.07 -0.06 -0.04 2.12 1.87 2h47H1 VAL 299 HG13 -0.20 0.03 -0.14 -0.04 0.97 0.61 2h47H1 VAL 299 HG23 -0.09 -0.01 -0.39 -0.04 0.95 0.42 2h47H1 PHE 300 H -0.19 0.42 0.25 -0.55 8.34 8.26 2h47H1 PHE 300 HA -0.04 0.14 0.87 -0.75 4.62 4.84 2h47H1 PHE 300 HB2 -0.08 0.10 0.31 -0.04 3.15 3.44 2h47H1 PHE 300 HB3 -0.02 0.05 0.14 -0.04 3.06 3.19 2h47H1 PHE 300 HD2 -0.01 0.07 -0.11 -0.04 7.28 7.20 2h47H1 PHE 300 HE2 -0.00 -0.10 -0.41 -0.04 7.38 6.84 2h47H1 PHE 300 HZ 0.01 -0.03 -0.22 -0.04 7.32 7.04 2h47H1 MET 301 H 0.03 0.73 0.44 -0.55 8.47 9.13 2h47H1 MET 301 HA -0.11 0.34 1.08 -0.75 4.52 5.08 2h47H1 MET 301 HB2 -0.89 -0.09 -0.06 -0.04 2.15 1.06 2h47H1 MET 301 HB3 -0.62 0.00 -0.09 -0.04 2.03 1.28 2h47H1 MET 301 HG2 -0.61 0.03 -0.44 -0.04 2.63 1.56 2h47H1 MET 301 HG3 -2.46 -0.06 -0.17 -0.04 2.56 -0.17 2h47H1 MET 301 HE3 -0.72 -0.03 -0.31 -0.04 2.10 1.00 2h47H1 HIS 302 H -0.23 0.61 0.31 -0.55 8.41 8.56 2h47H1 HIS 302 HA -0.06 0.01 0.91 -0.75 4.63 4.74 2h47H1 HIS 302 HB2 -0.03 0.07 0.06 -0.04 3.26 3.32 2h47H1 HIS 302 HB3 0.02 0.01 -0.11 -0.04 3.20 3.08 2h47H1 HIS 302 HD2 -0.09 0.19 -0.26 -0.04 6.97 6.77 2h47H1 HIS 302 HE1 -0.08 0.15 -0.31 -0.04 7.75 7.46 2h47H1 PRO 303 HA -1.07 0.08 0.39 -0.51 4.44 3.32 2h47H1 PRO 303 HB2 -0.67 0.10 0.04 -0.04 2.28 1.71 2h47H1 PRO 303 HB3 -2.14 -0.06 0.02 -0.04 2.02 -0.20 2h47H1 PRO 303 HG2 -0.34 0.08 -0.05 -0.04 2.03 1.68 2h47H1 PRO 303 HG3 -0.47 -0.01 0.02 -0.04 2.03 1.54 2h47H1 PRO 303 HD2 -0.24 0.11 0.22 -0.04 3.68 3.72 2h47H1 PRO 303 HD3 -0.98 0.06 0.12 -0.04 3.65 2.81 2h47H1 ASP 304 H -0.33 0.47 0.16 -0.55 8.40 8.16 2h47H1 ASP 304 HA -0.10 0.06 0.41 -0.75 4.63 4.24 2h47H1 ASP 304 HB2 -0.06 0.15 -0.06 -0.04 2.71 2.70 2h47H1 ASP 304 HB3 -0.04 -0.06 0.19 -0.04 2.70 2.75 2h47H1 GLY 305 H -0.18 0.63 0.05 -0.55 8.43 8.38 2h47H1 GLY 305 HA2 -0.08 0.05 0.48 -0.51 4.01 3.96 2h47H1 GLY 305 HA3 -0.17 0.04 0.23 -0.51 4.01 3.59 2h47H1 LYS 306 H -0.07 0.27 0.17 -0.55 8.42 8.23 2h47H1 LYS 306 HA 0.05 0.05 0.28 -0.75 4.32 3.94 2h47H1 LYS 306 HB2 0.02 -0.18 0.18 -0.04 1.87 1.84 2h47H1 LYS 306 HB3 -0.00 0.29 0.07 -0.04 1.79 2.11 2h47H1 LYS 306 HG2 -0.07 0.08 -0.36 -0.04 1.46 1.07 2h47H1 LYS 306 HG3 -0.04 0.13 -0.29 -0.04 1.46 1.22 2h47H1 LYS 306 HD2 0.00 -0.08 -0.03 -0.04 1.69 1.54 2h47H1 LYS 306 HD3 -0.01 0.04 -0.10 -0.04 1.68 1.57 2h47H1 LYS 306 HE2 0.00 0.06 -0.07 -0.04 2.99 2.94 2h47H1 LYS 306 HE3 -0.00 0.03 -0.06 -0.04 2.99 2.92 2h47H1 GLU 307 H 0.04 0.14 0.12 -0.55 8.60 8.36 2h47H1 GLU 307 HA 0.06 -0.01 0.46 -0.75 4.29 4.05 2h47H1 GLU 307 HB2 0.06 0.02 0.16 -0.04 2.09 2.29 2h47H1 GLU 307 HB3 0.04 0.03 0.14 -0.04 1.99 2.15 2h47H1 GLU 307 HG2 0.05 0.01 0.02 -0.04 2.34 2.37 2h47H1 GLU 307 HG3 0.05 0.02 -0.12 -0.04 2.34 2.26 2h47H1 GLY 308 H 0.12 0.08 0.27 -0.55 8.43 8.35 2h47H1 GLY 308 HA2 0.10 -0.02 0.38 -0.51 4.01 3.96 2h47H1 GLY 308 HA3 0.02 0.17 0.58 -0.51 4.01 4.26 2h47H1 THR 309 H -0.10 0.35 0.07 -0.55 8.28 8.05 2h47H1 THR 309 HA -0.90 0.22 1.01 -0.75 4.39 3.97 2h47H1 THR 309 HB -1.44 0.04 0.15 -0.04 4.32 3.03 2h47H1 THR 309 HG23 -0.59 0.07 -0.20 -0.04 1.22 0.46 2h47H1 HIS 310 H -0.01 -0.00 0.02 -0.55 8.41 7.88 2h47H1 HIS 310 HA -0.08 0.37 0.55 -0.75 4.63 4.72 2h47H1 HIS 310 HB2 -0.72 0.05 0.16 -0.04 3.26 2.70 2h47H1 HIS 310 HB3 -0.93 0.02 0.17 -0.04 3.20 2.42 2h47H1 HIS 310 HD2 -0.38 0.03 -0.06 -0.04 6.97 6.52 2h47H1 HIS 310 HE1 0.00 -0.01 0.04 -0.04 7.75 7.74 2h47H1 LYS 311 H -0.31 0.05 -0.48 -0.55 8.42 7.13 2h47H1 LYS 311 HA -0.22 0.11 1.02 -0.75 4.32 4.47 2h47H1 LYS 311 HB2 -0.21 -0.00 -0.04 -0.04 1.87 1.58 2h47H1 LYS 311 HB3 -0.33 -0.02 0.07 -0.04 1.79 1.47 2h47H1 LYS 311 HG2 -0.55 0.13 -0.07 -0.04 1.46 0.93 2h47H1 LYS 311 HG3 -0.50 -0.10 -0.29 -0.04 1.46 0.53 2h47H1 LYS 311 HD2 -0.16 0.00 -0.05 -0.04 1.69 1.45 2h47H1 LYS 311 HD3 -0.04 -0.03 -0.03 -0.04 1.68 1.54 2h47H1 LYS 311 HE2 0.08 0.01 -0.02 -0.04 2.99 3.02 2h47H1 LYS 311 HE3 -0.04 -0.02 -0.05 -0.04 2.99 2.84 2h47H1 PHE 312 H -0.04 0.33 -0.20 -0.55 8.34 7.88 2h47H1 PHE 312 HA -0.21 -0.01 0.33 -0.75 4.62 3.98 2h47H1 PHE 312 HB2 -0.97 0.22 0.11 -0.04 3.15 2.46 2h47H1 PHE 312 HB3 -0.57 0.10 -0.11 -0.04 3.06 2.44 2h47H1 PHE 312 HD2 -0.21 -0.06 -0.01 -0.04 7.28 6.95 2h47H1 PHE 312 HE2 -0.07 0.02 0.03 -0.04 7.38 7.32 2h47H1 PHE 312 HZ -0.05 -0.03 -0.01 -0.04 7.32 7.19 2h47H1 PRO 313 HA -0.11 0.17 0.28 -0.51 4.44 4.27 2h47H1 PRO 313 HB2 -0.12 -0.07 -0.01 -0.04 2.28 2.03 2h47H1 PRO 313 HB3 -0.11 0.11 0.01 -0.04 2.02 1.99 2h47H1 PRO 313 HG2 -0.16 -0.03 0.07 -0.04 2.03 1.86 2h47H1 PRO 313 HG3 -0.10 0.08 0.04 -0.04 2.03 2.01 2h47H1 PRO 313 HD2 -0.38 0.05 0.16 -0.04 3.68 3.47 2h47H1 PRO 313 HD3 -0.25 0.09 0.16 -0.04 3.65 3.61 2h47H1 ALA 314 H -0.24 0.74 0.11 -0.55 8.40 8.47 2h47H1 ALA 314 HA 0.04 0.08 0.27 -0.75 4.34 3.98 2h47H1 ALA 314 HB3 -0.29 0.02 0.09 -0.04 1.41 1.18 2h47H1 ALA 315 H 0.15 0.41 0.26 -0.55 8.40 8.68 2h47H1 ALA 315 HA 0.07 -0.00 0.64 -0.75 4.34 4.30 2h47H1 ALA 315 HB3 0.12 0.03 0.24 -0.04 1.41 1.76 2h47H1 GLU 316 H 0.23 0.60 0.30 -0.55 8.60 9.18 2h47H1 GLU 316 HA 0.23 0.02 0.69 -0.75 4.29 4.47 2h47H1 GLU 316 HB2 0.63 -0.01 -0.15 -0.04 2.09 2.52 2h47H1 GLU 316 HB3 0.46 -0.02 -0.15 -0.04 1.99 2.24 2h47H1 GLU 316 HG2 0.25 -0.00 -0.36 -0.04 2.34 2.19 2h47H1 GLU 316 HG3 0.33 0.11 -0.14 -0.04 2.34 2.60 2h47H1 ILE 317 H 0.24 0.98 0.22 -0.55 8.25 9.13 2h47H1 ILE 317 HA 0.27 0.26 0.97 -0.75 4.18 4.93 2h47H1 ILE 317 HB 0.12 -0.05 0.07 -0.04 1.89 1.99 2h47H1 ILE 317 HG12 0.57 0.01 -0.18 -0.04 1.49 1.85 2h47H1 ILE 317 HG13 0.19 0.04 -0.33 -0.04 1.21 1.06 2h47H1 ILE 317 HG23 0.12 0.00 -0.24 -0.04 0.93 0.77 2h47H1 ILE 317 HD13 0.01 -0.01 -0.15 -0.04 0.88 0.69 2h47H1 TRP 318 H 0.19 0.57 0.26 -0.55 7.97 8.44 2h47H1 TRP 318 HA -0.10 0.14 0.91 -0.75 4.62 4.82 2h47H1 TRP 318 HB2 -0.08 0.02 0.07 -0.04 3.23 3.19 2h47H1 TRP 318 HB3 -0.12 0.01 -0.01 -0.04 3.23 3.06 2h47H1 TRP 318 HD1 -0.10 -0.08 -0.42 -0.04 7.22 6.57 2h47H1 TRP 318 HE1 -0.75 -0.01 -0.16 -0.04 10.20 9.24 2h47H1 TRP 318 HE3 -0.11 0.02 -0.10 -0.04 7.59 7.36 2h47H1 TRP 318 HZ2 -2.23 -0.02 -0.12 -0.04 7.44 5.03 2h47H1 TRP 318 HZ3 -0.11 0.14 -0.20 -0.04 7.13 6.92 2h47H1 TRP 318 HH2 -0.37 -0.08 -0.09 -0.04 7.19 6.61 2h47H1 VAL 319 H -0.06 0.82 0.41 -0.55 8.24 8.86 2h47H1 VAL 319 HA -0.40 0.22 0.99 -0.75 4.13 4.19 2h47H1 VAL 319 HB -0.18 -0.14 0.08 -0.04 2.12 1.83 2h47H1 VAL 319 HG13 -0.55 0.03 -0.16 -0.04 0.97 0.24 2h47H1 VAL 319 HG23 -0.20 0.06 -0.20 -0.04 0.95 0.57 2h47H1 MET 320 H -0.17 0.75 0.30 -0.55 8.47 8.79 2h47H1 MET 320 HA -0.02 0.21 1.07 -0.75 4.52 5.03 2h47H1 MET 320 HB2 0.08 -0.04 0.03 -0.04 2.15 2.18 2h47H1 MET 320 HB3 0.24 0.02 -0.18 -0.04 2.03 2.06 2h47H1 MET 320 HG2 0.07 0.08 -0.23 -0.04 2.63 2.51 2h47H1 MET 320 HG3 0.11 0.01 -0.18 -0.04 2.56 2.45 2h47H1 MET 320 HE3 0.26 0.01 -0.15 -0.04 2.10 2.17 2h47H1 ASP 321 H -0.02 0.72 0.24 -0.55 8.40 8.78 2h47H1 ASP 321 HA -0.04 0.19 0.68 -0.75 4.63 4.70 2h47H1 ASP 321 HB2 -0.06 0.08 0.03 -0.04 2.71 2.72 2h47H1 ASP 321 HB3 -0.07 -0.06 0.20 -0.04 2.70 2.73 2h47H1 THR 322 H -0.03 0.63 0.16 -0.55 8.28 8.49 2h47H1 THR 322 HA -0.14 0.06 0.27 -0.75 4.39 3.82 2h47H1 THR 322 HB -0.17 -0.02 0.02 -0.04 4.32 4.11 2h47H1 THR 322 HG23 -0.12 0.04 -0.03 -0.04 1.22 1.08 2h47H1 LYS 323 H -0.09 0.07 -0.31 -0.55 8.42 7.54 2h47H1 LYS 323 HA -0.11 0.13 0.54 -0.75 4.32 4.13 2h47H1 LYS 323 HB2 -0.07 -0.05 0.06 -0.04 1.87 1.77 2h47H1 LYS 323 HB3 -0.07 0.03 -0.00 -0.04 1.79 1.71 2h47H1 LYS 323 HG2 -0.03 0.01 -0.03 -0.04 1.46 1.37 2h47H1 LYS 323 HG3 -0.03 -0.05 0.00 -0.04 1.46 1.34 2h47H1 LYS 323 HD2 -0.03 0.02 -0.00 -0.04 1.69 1.63 2h47H1 LYS 323 HD3 -0.03 -0.01 -0.02 -0.04 1.68 1.58 2h47H1 LYS 323 HE2 -0.01 -0.04 -0.05 -0.04 2.99 2.85 2h47H1 LYS 323 HE3 -0.00 0.03 -0.10 -0.04 2.99 2.89 2h47H1 THR 324 H -0.13 0.06 -0.08 -0.55 8.28 7.58 2h47H1 THR 324 HA -0.15 0.19 0.64 -0.75 4.39 4.32 2h47H1 THR 324 HB -0.10 0.02 0.09 -0.04 4.32 4.29 2h47H1 THR 324 HG23 -0.08 -0.01 -0.05 -0.04 1.22 1.05 2h47H1 LYS 325 H -0.35 0.12 -0.41 -0.55 8.42 7.22 2h47H1 LYS 325 HA -0.71 0.01 0.18 -0.75 4.32 3.05 2h47H1 LYS 325 HB2 -0.46 0.10 -0.19 -0.04 1.87 1.28 2h47H1 LYS 325 HB3 -0.92 -0.03 0.09 -0.04 1.79 0.90 2h47H1 LYS 325 HG2 -2.11 0.00 -0.07 -0.04 1.46 -0.77 2h47H1 LYS 325 HG3 -0.73 0.09 -0.30 -0.04 1.46 0.47 2h47H1 LYS 325 HD2 -0.51 -0.01 -0.10 -0.04 1.69 1.04 2h47H1 LYS 325 HD3 -1.17 -0.06 -0.05 -0.04 1.68 0.35 2h47H1 LYS 325 HE2 -0.41 -0.06 -0.05 -0.04 2.99 2.42 2h47H1 LYS 325 HE3 -1.12 -0.02 -0.06 -0.04 2.99 1.75 2h47H1 GLN 326 H -0.10 0.13 -0.13 -0.55 8.47 7.82 2h47H1 GLN 326 HA 0.01 0.23 0.91 -0.75 4.36 4.76 2h47H1 GLN 326 HB2 -0.07 -0.08 -0.10 -0.04 2.15 1.85 2h47H1 GLN 326 HB3 -0.07 0.01 0.03 -0.04 2.02 1.95 2h47H1 GLN 326 HG2 -0.05 0.03 -0.07 -0.04 2.40 2.27 2h47H1 GLN 326 HG3 -0.09 0.38 -0.32 -0.04 2.39 2.31 2h47H1 GLN 326 HE21 -0.05 -0.05 -0.00 -0.04 6.97 6.83 2h47H1 GLN 326 HE22 -0.05 -0.00 -0.00 -0.04 7.69 7.60 2h47H1 ARG 327 H -0.08 0.14 0.14 -0.55 8.46 8.11 2h47H1 ARG 327 HA -0.08 0.20 0.74 -0.75 4.34 4.45 2h47H1 ARG 327 HB2 -0.24 0.06 0.10 -0.04 1.90 1.78 2h47H1 ARG 327 HB3 -0.28 -0.05 0.15 -0.04 1.80 1.58 2h47H1 ARG 327 HG2 -0.34 -0.12 -0.15 -0.04 1.67 1.02 2h47H1 ARG 327 HG3 -0.27 0.07 0.07 -0.04 1.67 1.50 2h47H1 ARG 327 HD2 -1.31 0.00 -0.07 -0.04 3.22 1.80 2h47H1 ARG 327 HD3 -1.35 0.04 -0.02 -0.04 3.22 1.85 2h47H1 VAL 328 H -0.12 0.76 0.40 -0.55 8.24 8.74 2h47H1 VAL 328 HA -0.10 0.18 0.93 -0.75 4.13 4.39 2h47H1 VAL 328 HB -0.07 -0.03 0.10 -0.04 2.12 2.08 2h47H1 VAL 328 HG13 -0.07 0.01 -0.14 -0.04 0.97 0.73 2h47H1 VAL 328 HG23 -0.11 0.03 -0.26 -0.04 0.95 0.58 2h47H1 ALA 329 H -0.17 0.21 0.13 -0.55 8.40 8.03 2h47H1 ALA 329 HA -0.12 0.03 0.33 -0.75 4.34 3.84 2h47H1 ALA 329 HB3 -0.07 0.07 -0.08 -0.04 1.41 1.29 2h47H1 ARG 330 H -0.09 0.32 0.16 -0.55 8.46 8.29 2h47H1 ARG 330 HA 0.02 0.30 0.80 -0.75 4.34 4.70 2h47H1 ARG 330 HB2 -0.20 0.01 -0.01 -0.04 1.90 1.66 2h47H1 ARG 330 HB3 -0.54 -0.03 -0.18 -0.04 1.80 1.01 2h47H1 ARG 330 HG2 -0.17 -0.04 0.06 -0.04 1.67 1.49 2h47H1 ARG 330 HG3 -0.09 0.03 -0.16 -0.04 1.67 1.41 2h47H1 ARG 330 HD2 -0.48 -0.02 -0.09 -0.04 3.22 2.59 2h47H1 ARG 330 HD3 -0.23 -0.00 -0.06 -0.04 3.22 2.89 2h47H1 ILE 331 H 0.14 0.54 0.26 -0.55 8.25 8.64 2h47H1 ILE 331 HA 0.09 0.15 0.73 -0.75 4.18 4.40 2h47H1 ILE 331 HB 0.12 0.02 0.11 -0.04 1.89 2.10 2h47H1 ILE 331 HG12 0.07 0.06 0.00 -0.04 1.49 1.57 2h47H1 ILE 331 HG13 0.09 0.08 -0.29 -0.04 1.21 1.05 2h47H1 ILE 331 HG23 0.06 0.01 -0.19 -0.04 0.93 0.76 2h47H1 ILE 331 HD13 0.01 -0.01 -0.13 -0.04 0.88 0.72 2h47H1 PRO 332 HA 0.16 0.18 0.55 -0.51 4.44 4.81 2h47H1 PRO 332 HB2 0.12 0.01 0.03 -0.04 2.28 2.40 2h47H1 PRO 332 HB3 0.10 0.02 0.12 -0.04 2.02 2.22 2h47H1 PRO 332 HG2 0.09 0.04 0.09 -0.04 2.03 2.22 2h47H1 PRO 332 HG3 0.11 0.06 0.11 -0.04 2.03 2.27 2h47H1 PRO 332 HD2 0.13 0.12 0.18 -0.04 3.68 4.07 2h47H1 PRO 332 HD3 0.10 0.15 0.25 -0.04 3.65 4.11 2h47H1 GLY 333 H 0.12 0.58 -0.12 -0.55 8.43 8.46 2h47H1 GLY 333 HA2 0.08 0.12 0.31 -0.51 4.01 4.00 2h47H1 GLY 333 HA3 0.02 0.15 -0.21 -0.51 4.01 3.47 2h47H1 ARG 334 H 0.05 0.09 -0.10 -0.55 8.46 7.95 2h47H1 ARG 334 HA 0.02 0.01 0.24 -0.75 4.34 3.85 2h47H1 ARG 334 HB2 0.05 0.16 -0.12 -0.04 1.90 1.95 2h47H1 ARG 334 HB3 0.02 -0.04 0.08 -0.04 1.80 1.83 2h47H1 ARG 334 HG2 0.07 -0.02 -0.11 -0.04 1.67 1.57 2h47H1 ARG 334 HG3 0.14 0.10 -0.49 -0.04 1.67 1.38 2h47H1 ARG 334 HD2 0.10 0.01 -0.13 -0.04 3.22 3.15 2h47H1 ARG 334 HD3 0.13 -0.01 -0.16 -0.04 3.22 3.14 2h47H1 ASP 335 H -0.04 0.24 -0.29 -0.55 8.40 7.76 2h47H1 ASP 335 HA -0.10 0.08 0.12 -0.75 4.63 3.98 2h47H1 ASP 335 HB2 -0.06 0.14 0.05 -0.04 2.71 2.80 2h47H1 ASP 335 HB3 -0.08 -0.01 0.19 -0.04 2.70 2.76 2h47H1 ALA 336 H -0.24 0.38 -0.40 -0.55 8.40 7.59 2h47H1 ALA 336 HA -0.19 -0.02 0.31 -0.75 4.34 3.69 2h47H1 ALA 336 HB3 -0.52 -0.01 -0.02 -0.04 1.41 0.82 2h47H1 LEU 337 H -0.11 0.67 0.55 -0.55 8.37 8.93 2h47H1 LEU 337 HA -0.05 0.26 1.00 -0.75 4.35 4.81 2h47H1 LEU 337 HB2 0.04 -0.02 0.10 -0.04 1.64 1.72 2h47H1 LEU 337 HB3 0.30 -0.12 0.09 -0.04 1.64 1.87 2h47H1 LEU 337 HG -0.05 0.10 -0.22 -0.04 1.64 1.43 2h47H1 LEU 337 HD13 0.05 -0.02 -0.07 -0.04 0.93 0.85 2h47H1 LEU 337 HD23 0.02 0.04 -0.12 -0.04 0.89 0.79 2h47H1 SER 338 H 0.12 0.34 0.43 -0.55 8.46 8.80 2h47H1 SER 338 HA 0.31 0.27 0.78 -0.75 4.49 5.09 2h47H1 SER 338 HB2 0.06 -0.14 0.01 -0.04 3.95 3.84 2h47H1 SER 338 HB3 0.08 0.10 0.20 -0.04 3.93 4.27 2h47H1 MET 339 H 0.10 0.66 0.44 -0.55 8.47 9.13 2h47H1 MET 339 HA 0.13 0.41 1.08 -0.75 4.52 5.38 2h47H1 MET 339 HB2 -0.02 -0.04 0.07 -0.04 2.15 2.12 2h47H1 MET 339 HB3 -0.04 -0.07 -0.20 -0.04 2.03 1.67 2h47H1 MET 339 HG2 -0.23 0.11 -0.17 -0.04 2.63 2.30 2h47H1 MET 339 HG3 -0.09 0.01 -0.52 -0.04 2.56 1.92 2h47H1 MET 339 HE3 -0.84 0.04 -0.54 -0.04 2.10 0.72 2h47H1 THR 340 H 0.05 0.37 0.41 -0.55 8.28 8.56 2h47H1 THR 340 HA 0.04 0.12 0.67 -0.75 4.39 4.47 2h47H1 THR 340 HB 0.07 0.19 -0.03 -0.04 4.32 4.51 2h47H1 THR 340 HG23 0.19 -0.05 -0.20 -0.04 1.22 1.12 2h47H1 ILE 341 H 0.04 0.23 0.26 -0.55 8.25 8.23 2h47H1 ILE 341 HA -0.02 0.28 1.19 -0.75 4.18 4.87 2h47H1 ILE 341 HB -0.03 -0.02 0.10 -0.04 1.89 1.90 2h47H1 ILE 341 HG12 -0.08 -0.09 -0.33 -0.04 1.49 0.95 2h47H1 ILE 341 HG13 -0.10 -0.07 -0.33 -0.04 1.21 0.67 2h47H1 ILE 341 HG23 -0.05 0.02 -0.28 -0.04 0.93 0.58 2h47H1 ILE 341 HD13 -0.30 0.05 -0.09 -0.04 0.88 0.50 2h47H1 ASP 342 H -0.30 0.57 0.14 -0.55 8.40 8.27 2h47H1 ASP 342 HA -0.34 0.16 0.89 -0.75 4.63 4.60 2h47H1 ASP 342 HB2 -2.42 0.07 -0.02 -0.04 2.71 0.29 2h47H1 ASP 342 HB3 -0.85 -0.07 0.11 -0.04 2.70 1.85 2h47H1 GLN 343 H -0.12 0.22 0.13 -0.55 8.47 8.16 2h47H1 GLN 343 HA -0.08 0.11 0.48 -0.75 4.36 4.11 2h47H1 GLN 343 HB2 -0.07 -0.04 0.19 -0.04 2.15 2.19 2h47H1 GLN 343 HB3 -0.11 0.01 0.06 -0.04 2.02 1.94 2h47H1 GLN 343 HG2 -0.07 0.06 0.13 -0.04 2.40 2.48 2h47H1 GLN 343 HG3 -0.06 0.06 0.11 -0.04 2.39 2.46 2h47H1 GLN 343 HE21 -0.05 0.48 0.45 -0.04 6.97 7.82 2h47H1 GLN 343 HE22 -0.04 0.05 0.16 -0.04 7.69 7.81 2h47H1 GLN 344 H -0.08 0.08 0.01 -0.55 8.47 7.94 2h47H1 GLN 344 HA -0.02 0.13 0.39 -0.75 4.36 4.11 2h47H1 GLN 344 HB2 -0.03 -0.08 0.06 -0.04 2.15 2.06 2h47H1 GLN 344 HB3 -0.01 0.09 -0.11 -0.04 2.02 1.94 2h47H1 GLN 344 HG2 -0.01 0.05 0.06 -0.04 2.40 2.46 2h47H1 GLN 344 HG3 -0.01 -0.11 -0.01 -0.04 2.39 2.21 2h47H1 GLN 344 HE21 0.01 0.12 0.07 -0.04 6.97 7.13 2h47H1 GLN 344 HE22 0.00 -0.07 0.06 -0.04 7.69 7.65 2h47H1 ARG 345 H -0.11 0.01 -0.30 -0.55 8.46 7.51 2h47H1 ARG 345 HA 0.00 0.23 0.71 -0.75 4.34 4.53 2h47H1 ARG 345 HB2 -0.15 -0.07 -0.02 -0.04 1.90 1.62 2h47H1 ARG 345 HB3 -0.00 0.05 0.04 -0.04 1.80 1.84 2h47H1 ARG 345 HG2 0.13 0.06 -0.03 -0.04 1.67 1.79 2h47H1 ARG 345 HG3 0.05 0.05 -0.05 -0.04 1.67 1.69 2h47H1 ARG 345 HD2 0.04 0.04 -0.11 -0.04 3.22 3.15 2h47H1 ARG 345 HD3 -0.02 -0.27 -0.27 -0.04 3.22 2.62 2h47H1 ASN 346 H -0.02 0.22 -0.47 -0.55 8.53 7.71 2h47H1 ASN 346 HA 0.11 0.06 0.30 -0.75 4.76 4.48 2h47H1 ASN 346 HB2 0.01 0.11 0.03 -0.04 2.88 2.99 2h47H1 ASN 346 HB3 -0.03 -0.05 -0.05 -0.04 2.79 2.61 2h47H1 ASN 346 HD21 0.06 0.01 -0.07 -0.04 7.03 6.99 2h47H1 ASN 346 HD22 0.04 0.01 -0.21 -0.04 7.74 7.53 2h47H1 LEU 347 H -0.15 0.30 0.05 -0.55 8.37 8.02 2h47H1 LEU 347 HA -0.03 0.34 1.08 -0.75 4.35 4.99 2h47H1 LEU 347 HB2 -0.39 -0.15 -0.01 -0.04 1.64 1.04 2h47H1 LEU 347 HB3 -0.01 0.03 0.05 -0.04 1.64 1.67 2h47H1 LEU 347 HG -0.10 -0.01 -0.37 -0.04 1.64 1.12 2h47H1 LEU 347 HD13 -0.24 -0.01 -0.08 -0.04 0.93 0.55 2h47H1 LEU 347 HD23 0.03 0.03 -0.06 -0.04 0.89 0.84 2h47H1 MET 348 H 0.07 0.56 0.37 -0.55 8.47 8.92 2h47H1 MET 348 HA 0.00 0.22 0.89 -0.75 4.52 4.89 2h47H1 MET 348 HB2 -0.29 0.02 -0.15 -0.04 2.15 1.68 2h47H1 MET 348 HB3 -0.06 -0.05 -0.06 -0.04 2.03 1.81 2h47H1 MET 348 HG2 -0.02 -0.02 -0.37 -0.04 2.63 2.17 2h47H1 MET 348 HG3 -0.14 0.05 -0.03 -0.04 2.56 2.41 2h47H1 MET 348 HE3 -0.35 -0.01 -0.22 -0.04 2.10 1.48 2h47H1 LEU 349 H 0.12 0.50 0.32 -0.55 8.37 8.76 2h47H1 LEU 349 HA 0.15 0.44 1.17 -0.75 4.35 5.35 2h47H1 LEU 349 HB2 0.02 -0.05 0.03 -0.04 1.64 1.59 2h47H1 LEU 349 HB3 -0.04 0.02 -0.07 -0.04 1.64 1.52 2h47H1 LEU 349 HG 0.14 -0.09 -0.33 -0.04 1.64 1.32 2h47H1 LEU 349 HD13 -0.77 -0.01 -0.23 -0.04 0.93 -0.12 2h47H1 LEU 349 HD23 -0.05 0.05 -0.05 -0.04 0.89 0.79 2h47H1 THR 350 H 0.20 0.44 0.33 -0.55 8.28 8.70 2h47H1 THR 350 HA 0.25 0.36 1.21 -0.75 4.39 5.45 2h47H1 THR 350 HB 0.23 0.03 0.04 -0.04 4.32 4.58 2h47H1 THR 350 HG23 0.25 0.01 -0.21 -0.04 1.22 1.23 2h47H1 LEU 351 H 0.11 0.71 0.43 -0.55 8.37 9.08 2h47H1 LEU 351 HA -0.01 0.43 1.03 -0.75 4.35 5.04 2h47H1 LEU 351 HB2 -0.01 0.03 -0.24 -0.04 1.64 1.39 2h47H1 LEU 351 HB3 0.02 0.04 0.02 -0.04 1.64 1.67 2h47H1 LEU 351 HG -0.04 -0.05 -0.19 -0.04 1.64 1.32 2h47H1 LEU 351 HD13 -0.05 0.01 -0.32 -0.04 0.93 0.54 2h47H1 LEU 351 HD23 -0.04 -0.03 -0.51 -0.04 0.89 0.26 2h47H1 ASP 352 H -0.04 0.29 0.27 -0.55 8.40 8.38 2h47H1 ASP 352 HA -0.08 0.16 1.04 -0.75 4.63 4.99 2h47H1 ASP 352 HB2 -0.06 0.15 0.20 -0.04 2.71 2.96 2h47H1 ASP 352 HB3 -0.07 0.14 -0.17 -0.04 2.70 2.56 2h47H1 GLY 353 H -0.05 0.06 -0.15 -0.55 8.43 7.74 2h47H1 GLY 353 HA2 -0.07 0.41 0.39 -0.51 4.01 4.23 2h47H1 GLY 353 HA3 -0.06 0.27 0.87 -0.51 4.01 4.59 2h47H1 GLY 354 H -0.04 -0.05 -0.15 -0.55 8.43 7.65 2h47H1 GLY 354 HA2 -0.02 0.08 0.63 -0.51 4.01 4.19 2h47H1 GLY 354 HA3 -0.02 0.17 0.20 -0.51 4.01 3.85 2h47H1 ASN 355 H -0.04 -0.10 0.15 -0.55 8.53 8.00 2h47H1 ASN 355 HA -0.06 0.28 1.08 -0.75 4.76 5.31 2h47H1 ASN 355 HB2 -0.03 0.00 0.06 -0.04 2.88 2.87 2h47H1 ASN 355 HB3 -0.04 0.10 -0.12 -0.04 2.79 2.70 2h47H1 ASN 355 HD21 -0.02 0.05 -0.06 -0.04 7.03 6.96 2h47H1 ASN 355 HD22 -0.03 0.07 -0.03 -0.04 7.74 7.71 2h47H1 VAL 356 H -0.10 0.57 0.23 -0.55 8.24 8.38 2h47H1 VAL 356 HA -0.04 0.33 1.06 -0.75 4.13 4.73 2h47H1 VAL 356 HB -0.18 -0.00 0.11 -0.04 2.12 2.01 2h47H1 VAL 356 HG13 -0.09 0.00 -0.27 -0.04 0.97 0.57 2h47H1 VAL 356 HG23 -0.13 -0.02 -0.22 -0.04 0.95 0.55 2h47H1 ASN 357 H 0.03 0.75 0.38 -0.55 8.53 9.14 2h47H1 ASN 357 HA -0.07 0.21 1.02 -0.75 4.76 5.16 2h47H1 ASN 357 HB2 0.24 -0.09 0.11 -0.04 2.88 3.10 2h47H1 ASN 357 HB3 -0.16 0.04 -0.03 -0.04 2.79 2.59 2h47H1 ASN 357 HD21 0.03 0.03 -0.16 -0.04 7.03 6.89 2h47H1 ASN 357 HD22 0.12 -0.04 -0.14 -0.04 7.74 7.65 2h47H1 VAL 358 H -0.11 0.69 0.38 -0.55 8.24 8.65 2h47H1 VAL 358 HA 0.05 0.21 1.02 -0.75 4.13 4.66 2h47H1 VAL 358 HB 0.01 -0.14 0.21 -0.04 2.12 2.16 2h47H1 VAL 358 HG13 0.09 0.02 -0.06 -0.04 0.97 0.98 2h47H1 VAL 358 HG23 0.04 0.07 -0.08 -0.04 0.95 0.94 2h47H1 TYR 359 H 0.21 0.71 0.40 -0.55 8.29 9.06 2h47H1 TYR 359 HA 0.03 0.26 1.11 -0.75 4.56 5.20 2h47H1 TYR 359 HB2 0.01 -0.00 -0.04 -0.04 3.06 2.99 2h47H1 TYR 359 HB3 0.03 -0.03 -0.23 -0.04 2.98 2.71 2h47H1 TYR 359 HD2 0.05 0.00 -0.41 -0.04 7.15 6.76 2h47H1 TYR 359 HE2 0.07 -0.00 -0.17 -0.04 6.85 6.70 2h47H1 ASP 360 H 0.14 0.59 0.32 -0.55 8.40 8.90 2h47H1 ASP 360 HA 0.04 0.26 0.99 -0.75 4.63 5.18 2h47H1 ASP 360 HB2 0.05 0.03 0.12 -0.04 2.71 2.87 2h47H1 ASP 360 HB3 0.06 -0.00 0.29 -0.04 2.70 3.00 2h47H1 ILE 361 H -0.02 0.65 0.17 -0.55 8.25 8.50 2h47H1 ILE 361 HA 0.03 0.29 0.84 -0.75 4.18 4.59 2h47H1 ILE 361 HB 0.01 0.02 0.00 -0.04 1.89 1.88 2h47H1 ILE 361 HG12 -0.11 0.11 -0.48 -0.04 1.49 0.96 2h47H1 ILE 361 HG13 -0.24 -0.02 -0.28 -0.04 1.21 0.62 2h47H1 ILE 361 HG23 -0.12 -0.01 -0.31 -0.04 0.93 0.44 2h47H1 ILE 361 HD13 -0.30 -0.01 -0.27 -0.04 0.88 0.26 2h47H1 SER 362 H -0.02 0.13 -0.23 -0.55 8.46 7.80 2h47H1 SER 362 HA -0.09 0.04 0.41 -0.75 4.49 4.10 2h47H1 SER 362 HB2 0.00 -0.02 0.10 -0.04 3.95 3.99 2h47H1 SER 362 HB3 -0.00 0.06 0.09 -0.04 3.93 4.04 2h47H1 GLN 363 H -0.01 0.13 -0.69 -0.55 8.47 7.34 2h47H1 GLN 363 HA -0.01 0.18 0.74 -0.75 4.36 4.51 2h47H1 GLN 363 HB2 0.01 0.12 -0.06 -0.04 2.15 2.18 2h47H1 GLN 363 HB3 0.00 -0.05 -0.02 -0.04 2.02 1.91 2h47H1 GLN 363 HG2 0.01 -0.09 -0.41 -0.04 2.40 1.86 2h47H1 GLN 363 HG3 0.01 -0.01 -0.08 -0.04 2.39 2.26 2h47H1 GLN 363 HE21 0.00 -0.02 0.00 -0.04 6.97 6.91 2h47H1 GLN 363 HE22 0.00 -0.03 -0.02 -0.04 7.69 7.61 2h47H1 PRO 364 HA -0.03 0.01 0.26 -0.51 4.44 4.16 2h47H1 PRO 364 HB2 -0.03 -0.01 0.07 -0.04 2.28 2.28 2h47H1 PRO 364 HB3 -0.05 0.05 0.03 -0.04 2.02 2.01 2h47H1 PRO 364 HG2 -0.02 0.02 0.07 -0.04 2.03 2.06 2h47H1 PRO 364 HG3 -0.02 0.02 0.05 -0.04 2.03 2.04 2h47H1 PRO 364 HD2 -0.01 0.08 0.15 -0.04 3.68 3.85 2h47H1 PRO 364 HD3 -0.01 0.16 0.15 -0.04 3.65 3.91 2h47H1 GLU 365 H -0.00 0.03 -0.31 -0.55 8.60 7.77 2h47H1 GLU 365 HA 0.01 0.11 0.69 -0.75 4.29 4.35 2h47H1 GLU 365 HB2 -0.01 -0.04 0.05 -0.04 2.09 2.05 2h47H1 GLU 365 HB3 0.01 -0.06 0.07 -0.04 1.99 1.97 2h47H1 GLU 365 HG2 0.05 0.24 -0.26 -0.04 2.34 2.33 2h47H1 GLU 365 HG3 0.03 -0.03 -0.02 -0.04 2.34 2.28 2h47H1 PRO 366 HA 0.11 0.23 0.39 -0.51 4.44 4.66 2h47H1 PRO 366 HB2 0.05 -0.03 -0.10 -0.04 2.28 2.15 2h47H1 PRO 366 HB3 0.03 -0.06 -0.14 -0.04 2.02 1.82 2h47H1 PRO 366 HG2 0.13 0.01 -0.10 -0.04 2.03 2.02 2h47H1 PRO 366 HG3 0.29 0.07 -0.09 -0.04 2.03 2.25 2h47H1 PRO 366 HD2 0.05 0.01 0.08 -0.04 3.68 3.78 2h47H1 PRO 366 HD3 0.05 0.40 0.27 -0.04 3.65 4.32 2h47H1 LYS 367 H 0.18 0.27 0.20 -0.55 8.42 8.52 2h47H1 LYS 367 HA 0.13 0.16 0.93 -0.75 4.32 4.78 2h47H1 LYS 367 HB2 0.07 0.10 -0.02 -0.04 1.87 1.97 2h47H1 LYS 367 HB3 0.07 -0.04 0.24 -0.04 1.79 2.02 2h47H1 LYS 367 HG2 0.03 0.01 -0.34 -0.04 1.46 1.12 2h47H1 LYS 367 HG3 0.04 0.02 -0.03 -0.04 1.46 1.45 2h47H1 LYS 367 HD2 0.03 0.00 -0.02 -0.04 1.69 1.67 2h47H1 LYS 367 HD3 0.03 -0.04 0.00 -0.04 1.68 1.64 2h47H1 LYS 367 HE2 0.02 0.02 -0.06 -0.04 2.99 2.92 2h47H1 LYS 367 HE3 0.02 0.01 -0.03 -0.04 2.99 2.95 2h47H1 LEU 368 H 0.08 0.18 0.06 -0.55 8.37 8.14 2h47H1 LEU 368 HA -0.51 0.10 0.53 -0.75 4.35 3.71 2h47H1 LEU 368 HB2 -0.28 0.00 0.03 -0.04 1.64 1.36 2h47H1 LEU 368 HB3 -0.08 -0.00 0.14 -0.04 1.64 1.66 2h47H1 LEU 368 HG -0.16 0.00 -0.29 -0.04 1.64 1.15 2h47H1 LEU 368 HD13 -0.57 0.03 -0.08 -0.04 0.93 0.27 2h47H1 LEU 368 HD23 -0.10 -0.01 -0.10 -0.04 0.89 0.65 2h47H1 LEU 369 H -0.15 0.73 0.54 -0.55 8.37 8.95 2h47H1 LEU 369 HA -0.02 0.10 0.69 -0.75 4.35 4.37 2h47H1 LEU 369 HB2 0.01 -0.02 0.10 -0.04 1.64 1.69 2h47H1 LEU 369 HB3 0.03 -0.01 0.04 -0.04 1.64 1.65 2h47H1 LEU 369 HG 0.02 0.05 0.05 -0.04 1.64 1.71 2h47H1 LEU 369 HD13 0.08 -0.01 -0.08 -0.04 0.93 0.87 2h47H1 LEU 369 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.79 2h47H1 ARG 370 H -0.10 0.26 0.29 -0.55 8.46 8.36 2h47H1 ARG 370 HA -0.05 0.10 0.36 -0.75 4.34 4.00 2h47H1 ARG 370 HB2 -0.01 -0.03 0.07 -0.04 1.90 1.89 2h47H1 ARG 370 HB3 -0.00 0.22 -0.12 -0.04 1.80 1.86 2h47H1 ARG 370 HG2 0.03 -0.07 -0.12 -0.04 1.67 1.47 2h47H1 ARG 370 HG3 0.00 -0.08 -0.37 -0.04 1.67 1.18 2h47H1 ARG 370 HD2 0.06 0.17 -0.27 -0.04 3.22 3.13 2h47H1 ARG 370 HD3 0.02 -0.04 -0.31 -0.04 3.22 2.85 2h47H1 THR 371 H -0.04 0.26 0.12 -0.55 8.28 8.08 2h47H1 THR 371 HA -0.06 0.27 1.07 -0.75 4.39 4.92 2h47H1 THR 371 HB -0.04 -0.01 0.08 -0.04 4.32 4.31 2h47H1 THR 371 HG23 -0.04 -0.01 -0.32 -0.04 1.22 0.81 2h47H1 ILE 372 H -0.07 0.79 0.24 -0.55 8.25 8.66 2h47H1 ILE 372 HA -0.03 0.16 0.77 -0.75 4.18 4.31 2h47H1 ILE 372 HB -0.20 -0.11 0.21 -0.04 1.89 1.75 2h47H1 ILE 372 HG12 -0.01 0.04 -0.09 -0.04 1.49 1.39 2h47H1 ILE 372 HG13 -0.04 -0.01 -0.16 -0.04 1.21 0.96 2h47H1 ILE 372 HG23 -0.28 0.04 -0.10 -0.04 0.93 0.55 2h47H1 ILE 372 HD13 -0.05 -0.01 -0.13 -0.04 0.88 0.65 2h47H1 GLU 373 H -0.02 0.24 0.11 -0.55 8.60 8.39 2h47H1 GLU 373 HA -0.04 -0.03 0.53 -0.75 4.29 3.99 2h47H1 GLU 373 HB2 -0.01 0.04 0.05 -0.04 2.09 2.14 2h47H1 GLU 373 HB3 -0.02 -0.02 0.04 -0.04 1.99 1.96 2h47H1 GLU 373 HG2 -0.02 -0.04 -0.05 -0.04 2.34 2.19 2h47H1 GLU 373 HG3 -0.02 0.11 -0.01 -0.04 2.34 2.38 2h47H1 GLY 374 H -0.02 0.07 0.16 -0.55 8.43 8.10 2h47H1 GLY 374 HA2 0.00 0.06 0.41 -0.51 4.01 3.97 2h47H1 GLY 374 HA3 0.01 0.03 0.39 -0.51 4.01 3.92 2h47H1 ALA 375 H -0.06 0.45 0.12 -0.55 8.40 8.36 2h47H1 ALA 375 HA -0.17 0.09 0.37 -0.75 4.34 3.88 2h47H1 ALA 375 HB3 -0.25 -0.03 -0.09 -0.04 1.41 1.00 2h47H1 ALA 376 H 0.03 0.32 -0.02 -0.55 8.40 8.18 2h47H1 ALA 376 HA 0.27 0.17 0.44 -0.75 4.34 4.48 2h47H1 ALA 376 HB3 0.04 -0.03 -0.12 -0.04 1.41 1.26 2h47H1 GLU 377 H 0.05 -0.03 0.15 -0.55 8.60 8.22 2h47H1 GLU 377 HA 0.02 0.24 0.90 -0.75 4.29 4.70 2h47H1 GLU 377 HB2 0.04 -0.11 0.10 -0.04 2.09 2.08 2h47H1 GLU 377 HB3 0.03 0.01 0.03 -0.04 1.99 2.02 2h47H1 GLU 377 HG2 0.04 0.08 -0.06 -0.04 2.34 2.36 2h47H1 GLU 377 HG3 0.09 -0.00 -0.12 -0.04 2.34 2.26 2h47H1 ALA 378 H -0.01 -0.10 0.07 -0.55 8.40 7.82 2h47H1 ALA 378 HA -0.04 0.28 0.67 -0.75 4.34 4.49 2h47H1 ALA 378 HB3 -0.00 -0.03 0.10 -0.04 1.41 1.43 2h47H1 SER 379 H -0.06 0.91 0.21 -0.55 8.46 8.97 2h47H1 SER 379 HA -0.13 0.21 1.22 -0.75 4.49 5.03 2h47H1 SER 379 HB2 -0.06 -0.09 -0.22 -0.04 3.95 3.54 2h47H1 SER 379 HB3 -0.05 -0.03 -0.11 -0.04 3.93 3.70 2h47H1 LEU 380 H -0.18 0.25 0.27 -0.55 8.37 8.17 2h47H1 LEU 380 HA -0.13 0.18 0.87 -0.75 4.35 4.52 2h47H1 LEU 380 HB2 -0.35 -0.04 0.08 -0.04 1.64 1.30 2h47H1 LEU 380 HB3 -0.35 -0.01 0.16 -0.04 1.64 1.39 2h47H1 LEU 380 HG -0.34 -0.04 -0.31 -0.04 1.64 0.91 2h47H1 LEU 380 HD13 -1.09 -0.00 -0.03 -0.04 0.93 -0.24 2h47H1 LEU 380 HD23 -0.22 0.03 -0.03 -0.04 0.89 0.62 2h47H1 GLN 381 H -0.09 0.14 0.09 -0.55 8.47 8.06 2h47H1 GLN 381 HA -0.02 0.17 0.86 -0.75 4.36 4.61 2h47H1 GLN 381 HB2 -0.08 0.19 -0.03 -0.04 2.15 2.19 2h47H1 GLN 381 HB3 -0.06 -0.08 0.15 -0.04 2.02 1.98 2h47H1 GLN 381 HG2 0.02 0.00 -0.08 -0.04 2.40 2.30 2h47H1 GLN 381 HG3 0.02 0.00 0.16 -0.04 2.39 2.53 2h47H1 GLN 381 HE21 0.11 0.13 0.06 -0.04 6.97 7.24 2h47H1 GLN 381 HE22 0.07 -0.07 0.07 -0.04 7.69 7.72 2h47H1 VAL 382 H 0.01 0.37 0.17 -0.55 8.24 8.24 2h47H1 VAL 382 HA -0.00 0.49 0.96 -0.75 4.13 4.83 2h47H1 VAL 382 HB -0.04 -0.05 -0.24 -0.04 2.12 1.74 2h47H1 VAL 382 HG13 -0.01 -0.01 -0.25 -0.04 0.97 0.65 2h47H1 VAL 382 HG23 -0.12 -0.00 -0.28 -0.04 0.95 0.51 2h47H1 GLN 383 H 0.05 0.47 0.32 -0.55 8.47 8.76 2h47H1 GLN 383 HA 0.08 0.13 0.88 -0.75 4.36 4.70 2h47H1 GLN 383 HB2 0.11 -0.03 0.00 -0.04 2.15 2.20 2h47H1 GLN 383 HB3 0.10 0.06 0.11 -0.04 2.02 2.26 2h47H1 GLN 383 HG2 0.07 0.07 -0.03 -0.04 2.40 2.46 2h47H1 GLN 383 HG3 0.05 -0.16 -0.59 -0.04 2.39 1.66 2h47H1 GLN 383 HE21 0.05 0.38 0.08 -0.04 6.97 7.45 2h47H1 GLN 383 HE22 0.04 -0.10 -0.14 -0.04 7.69 7.45 2h47H1 PHE 384 H 0.34 0.11 0.11 -0.55 8.34 8.34 2h47H1 PHE 384 HA 0.14 0.15 0.68 -0.75 4.62 4.84 2h47H1 PHE 384 HB2 0.04 -0.06 -0.01 -0.04 3.15 3.09 2h47H1 PHE 384 HB3 0.09 0.17 -0.03 -0.04 3.06 3.24 2h47H1 PHE 384 HD2 0.01 0.08 -0.12 -0.04 7.28 7.21 2h47H1 PHE 384 HE2 -0.60 0.03 -0.22 -0.04 7.38 6.55 2h47H1 PHE 384 HZ -0.31 0.01 -0.22 -0.04 7.32 6.76 2h47H1 HIS 385 H 0.46 0.43 0.14 -0.55 8.41 8.89 2h47H1 HIS 385 HA 0.24 0.07 0.54 -0.75 4.63 4.73 2h47H1 HIS 385 HB2 0.33 -0.04 -0.06 -0.04 3.26 3.45 2h47H1 HIS 385 HB3 0.20 0.05 -0.01 -0.04 3.20 3.41 2h47H1 HIS 385 HD2 0.09 0.50 -0.30 -0.04 6.97 7.22 2h47H1 HIS 385 HE1 0.07 -0.05 -0.07 -0.04 7.75 7.65 2h47H1 PRO 386 HA 0.08 -0.06 0.37 -0.51 4.44 4.32 2h47H1 PRO 386 HB2 0.03 0.02 -0.06 -0.04 2.28 2.23 2h47H1 PRO 386 HB3 0.01 0.06 0.13 -0.04 2.02 2.17 2h47H1 PRO 386 HG2 -0.14 0.14 -0.10 -0.04 2.03 1.89 2h47H1 PRO 386 HG3 -0.05 0.03 0.06 -0.04 2.03 2.03 2h47H1 PRO 386 HD2 -0.59 0.05 0.14 -0.04 3.68 3.24 2h47H1 PRO 386 HD3 -0.20 0.18 0.26 -0.04 3.65 3.85 2h47H1 VAL 387 H 0.06 0.09 0.20 -0.55 8.24 8.05 2h47H1 VAL 387 HA 0.09 0.22 0.74 -0.75 4.13 4.43 2h47H1 VAL 387 HB 0.10 0.19 -0.19 -0.04 2.12 2.18 2h47H1 VAL 387 HG13 0.03 -0.02 -0.18 -0.04 0.97 0.75 2h47H1 VAL 387 HG23 0.05 -0.12 0.11 -0.04 0.95 0.95 2h47H1 GLY 388 H 0.03 0.15 0.10 -0.55 8.43 8.17 2h47H1 GLY 388 HA2 0.02 0.12 0.46 -0.51 4.01 4.10 2h47H1 GLY 388 HA3 0.02 0.03 0.40 -0.51 4.01 3.95 2h47H1 GLY 389 H 0.01 0.36 0.19 -0.55 8.43 8.45 2h47H1 GLY 389 HA2 0.00 0.10 0.22 -0.51 4.01 3.82 2h47H1 GLY 389 HA3 0.00 0.08 0.26 -0.51 4.01 3.84