============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 4 1.000 55.986 10.261 0.557 -99.200 -91.000 PHE 23 1.000 52.959 37.210 6.073 -99.200 -91.000 PHE 24 1.000 60.471 36.774 2.092 -99.200 -91.000 PHE 43 1.000 62.880 23.454 20.298 -99.200 -91.000 PHE 45 1.000 59.058 21.737 31.049 -99.200 -91.000 TYR 49 0.840 64.369 17.991 32.690 -99.200 -91.000 HIS 50 0.900 65.970 17.205 28.264 -99.200 -91.000 PHE 59 1.000 64.366 25.879 11.225 -99.200 -91.000 PHE 71 1.000 50.814 35.949 -7.458 -99.200 -91.000 HIS 74 0.900 56.808 31.646 -9.523 -99.200 -91.000 PHE 82 1.000 51.053 31.873 5.983 -99.200 -91.000 HIS 83 0.900 42.970 34.990 -0.265 -99.200 -91.000 HIS 98 0.900 38.430 31.477 -2.574 -99.200 -91.000 TYR 124 0.840 36.325 9.984 -20.111 -99.200 -91.000 TRP 133 1.040 33.579 19.715 -6.085 -99.200 -91.000 TRP6 133 1.020 31.529 19.532 -4.945 -99.200 -91.000 PHE 141 1.000 34.976 25.377 -0.663 -99.200 -91.000 TYR 142 0.840 33.049 14.979 -3.249 -99.200 -91.000 HIS 143 0.900 34.885 19.192 3.496 -99.200 -91.000 TRP 145 1.040 38.592 14.546 -2.090 -99.200 -91.000 TRP6 145 1.020 37.920 14.880 -4.336 -99.200 -91.000 HIS 156 0.900 46.386 16.125 -14.087 -99.200 -91.000 PHE 158 1.000 42.905 19.461 -10.925 -99.200 -91.000 TYR 166 0.840 40.341 32.933 3.607 -99.200 -91.000 TYR 175 0.840 47.302 42.446 16.540 -99.200 -91.000 TRP 182 1.040 36.582 46.473 4.811 -99.200 -91.000 TRP6 182 1.020 37.942 48.402 4.976 -99.200 -91.000 TRP 189 1.040 32.888 35.928 0.994 -99.200 -91.000 TRP6 189 1.020 34.558 34.380 0.351 -99.200 -91.000 TYR 193 0.840 29.761 33.016 0.091 -99.200 -91.000 PHE 202 1.000 49.454 40.407 8.771 -99.200 -91.000 TYR 221 0.840 54.689 50.141 20.470 -99.200 -91.000 PHE 239 1.000 55.417 22.615 10.932 -99.200 -91.000 TYR 246 0.840 56.746 20.754 16.069 -99.200 -91.000 PHE 247 1.000 60.049 12.341 15.700 -99.200 -91.000 PHE 248 1.000 58.888 18.392 21.027 -99.200 -91.000 TRP 258 1.040 64.005 14.630 15.204 -99.200 -91.000 TRP6 258 1.020 65.648 14.187 13.585 -99.200 -91.000 HIS 274 0.900 71.582 5.914 8.937 -99.200 -91.000 PHE 277 1.000 68.021 5.113 13.204 -99.200 -91.000 PHE 281 1.000 61.457 1.931 15.287 -99.200 -91.000 TYR 289 0.840 55.473 19.624 27.164 -99.200 -91.000 PHE 292 1.000 60.600 15.612 30.672 -99.200 -91.000 TYR 307 0.840 60.610 5.852 28.567 -99.200 -91.000 TYR 314 0.840 52.873 5.552 18.919 -99.200 -91.000 PHE 323 1.000 67.333 6.509 23.063 -99.200 -91.000 PHE 324 1.000 62.090 7.172 16.562 -99.200 -91.000 PHE 326 1.000 67.361 2.673 15.861 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ohfA1 ILE 16 HA -0.12 -0.12 0.10 -0.75 4.18 3.29 2ohfA1 ILE 16 HB -0.04 0.14 0.06 -0.04 1.89 2.01 2ohfA1 ILE 16 HG12 -0.33 -0.11 0.00 -0.04 1.49 1.01 2ohfA1 ILE 16 HG13 -0.04 0.04 0.01 -0.04 1.21 1.18 2ohfA1 ILE 16 HG23 -0.15 -0.13 0.02 -0.04 0.93 0.63 2ohfA1 ILE 16 HD13 -0.19 0.02 -0.04 -0.04 0.88 0.63 2ohfA1 GLY 17 H -0.06 -0.05 0.03 -0.55 8.43 7.80 2ohfA1 GLY 17 HA2 -0.03 -0.02 0.30 -0.51 4.01 3.75 2ohfA1 GLY 17 HA3 -0.03 0.17 0.21 -0.51 4.01 3.85 2ohfA1 ARG 18 H -0.03 0.09 0.13 -0.55 8.46 8.10 2ohfA1 ARG 18 HA 0.00 0.05 0.63 -0.75 4.34 4.26 2ohfA1 ARG 18 HB2 -0.02 0.01 -0.00 -0.04 1.90 1.84 2ohfA1 ARG 18 HB3 0.01 -0.01 0.07 -0.04 1.80 1.84 2ohfA1 ARG 18 HG2 -0.03 0.02 0.02 -0.04 1.67 1.64 2ohfA1 ARG 18 HG3 -0.03 0.02 0.03 -0.04 1.67 1.66 2ohfA1 ARG 18 HD2 -0.02 -0.00 -0.07 -0.04 3.22 3.08 2ohfA1 ARG 18 HD3 -0.01 -0.06 -0.02 -0.04 3.22 3.09 2ohfA1 PHE 19 H 0.15 0.04 0.13 -0.55 8.34 8.11 2ohfA1 PHE 19 HA -0.03 0.17 0.66 -0.75 4.62 4.67 2ohfA1 PHE 19 HB2 -0.04 0.04 0.07 -0.04 3.15 3.19 2ohfA1 PHE 19 HB3 -0.04 -0.04 0.09 -0.04 3.06 3.04 2ohfA1 PHE 19 HD2 -0.02 0.02 -0.14 -0.04 7.28 7.09 2ohfA1 PHE 19 HE2 -0.01 -0.02 -0.03 -0.04 7.38 7.27 2ohfA1 PHE 19 HZ -0.01 -0.03 -0.01 -0.04 7.32 7.22 2ohfA1 GLY 20 H -0.98 0.11 0.11 -0.55 8.43 7.13 2ohfA1 GLY 20 HA2 -0.70 -0.02 0.29 -0.51 4.01 3.08 2ohfA1 GLY 20 HA3 -0.24 0.05 0.37 -0.51 4.01 3.67 2ohfA1 THR 21 H -0.10 0.09 0.12 -0.55 8.28 7.85 2ohfA1 THR 21 HA -0.11 0.26 0.59 -0.75 4.39 4.37 2ohfA1 THR 21 HB -0.02 0.01 0.03 -0.04 4.32 4.30 2ohfA1 THR 21 HG23 -0.05 0.02 -0.11 -0.04 1.22 1.04 2ohfA1 SER 22 H -0.04 0.11 -0.14 -0.55 8.46 7.83 2ohfA1 SER 22 HA -0.02 0.15 0.57 -0.75 4.49 4.43 2ohfA1 SER 22 HB2 -0.01 0.03 0.11 -0.04 3.95 4.04 2ohfA1 SER 22 HB3 -0.01 0.03 0.17 -0.04 3.93 4.07 2ohfA1 LEU 23 H -0.06 0.28 -0.44 -0.55 8.37 7.61 2ohfA1 LEU 23 HA -0.05 0.14 0.41 -0.75 4.35 4.10 2ohfA1 LEU 23 HB2 -0.10 -0.02 -0.04 -0.04 1.64 1.43 2ohfA1 LEU 23 HB3 -0.08 -0.01 0.10 -0.04 1.64 1.62 2ohfA1 LEU 23 HG -0.10 -0.14 -0.26 -0.04 1.64 1.10 2ohfA1 LEU 23 HD13 -0.12 0.02 -0.01 -0.04 0.93 0.78 2ohfA1 LEU 23 HD23 -0.06 0.02 -0.30 -0.04 0.89 0.51 2ohfA1 LYS 24 H -0.05 0.26 0.24 -0.55 8.42 8.31 2ohfA1 LYS 24 HA -0.03 0.14 0.71 -0.75 4.32 4.38 2ohfA1 LYS 24 HB2 -0.03 -0.02 0.03 -0.04 1.87 1.81 2ohfA1 LYS 24 HB3 -0.03 -0.00 -0.06 -0.04 1.79 1.66 2ohfA1 LYS 24 HG2 -0.02 0.06 -0.13 -0.04 1.46 1.34 2ohfA1 LYS 24 HG3 -0.03 0.05 -0.37 -0.04 1.46 1.08 2ohfA1 LYS 24 HD2 -0.02 -0.08 -0.12 -0.04 1.69 1.43 2ohfA1 LYS 24 HD3 -0.02 -0.03 -0.09 -0.04 1.68 1.50 2ohfA1 LYS 24 HE2 -0.02 0.06 0.03 -0.04 2.99 3.02 2ohfA1 LYS 24 HE3 -0.02 -0.05 -0.02 -0.04 2.99 2.86 2ohfA1 ILE 25 H -0.06 0.69 0.36 -0.55 8.25 8.69 2ohfA1 ILE 25 HA -0.11 0.24 1.00 -0.75 4.18 4.56 2ohfA1 ILE 25 HB -0.24 0.05 -0.14 -0.04 1.89 1.52 2ohfA1 ILE 25 HG12 -0.69 -0.10 -0.21 -0.04 1.49 0.45 2ohfA1 ILE 25 HG13 -0.28 0.12 -0.25 -0.04 1.21 0.76 2ohfA1 ILE 25 HG23 -0.25 0.03 -0.01 -0.04 0.93 0.66 2ohfA1 ILE 25 HD13 -0.79 0.01 -0.21 -0.04 0.88 -0.15 2ohfA1 GLY 26 H -0.06 0.62 0.45 -0.55 8.43 8.89 2ohfA1 GLY 26 HA2 0.01 0.12 0.97 -0.51 4.01 4.60 2ohfA1 GLY 26 HA3 -0.01 0.08 0.29 -0.51 4.01 3.85 2ohfA1 ILE 27 H 0.10 0.67 0.38 -0.55 8.25 8.84 2ohfA1 ILE 27 HA 0.33 0.14 0.72 -0.75 4.18 4.62 2ohfA1 ILE 27 HB 0.16 -0.08 0.31 -0.04 1.89 2.24 2ohfA1 ILE 27 HG12 0.58 -0.01 -0.08 -0.04 1.49 1.93 2ohfA1 ILE 27 HG13 0.28 0.06 -0.01 -0.04 1.21 1.50 2ohfA1 ILE 27 HG23 0.35 -0.02 -0.10 -0.04 0.93 1.13 2ohfA1 ILE 27 HD13 0.25 -0.02 -0.19 -0.04 0.88 0.88 2ohfA1 VAL 28 H 0.18 0.67 0.34 -0.55 8.24 8.88 2ohfA1 VAL 28 HA 0.29 0.14 1.04 -0.75 4.13 4.84 2ohfA1 VAL 28 HB 0.04 0.03 -0.05 -0.04 2.12 2.10 2ohfA1 VAL 28 HG13 0.07 -0.01 -0.24 -0.04 0.97 0.75 2ohfA1 VAL 28 HG23 0.11 0.00 -0.37 -0.04 0.95 0.65 2ohfA1 GLY 29 H 0.21 0.34 0.22 -0.55 8.43 8.66 2ohfA1 GLY 29 HA2 0.04 0.05 0.18 -0.51 4.01 3.78 2ohfA1 GLY 29 HA3 0.09 0.15 0.56 -0.51 4.01 4.31 2ohfA1 LEU 30 H -0.03 0.11 0.11 -0.55 8.37 8.02 2ohfA1 LEU 30 HA -0.12 0.10 0.39 -0.75 4.35 3.97 2ohfA1 LEU 30 HB2 -0.06 -0.06 0.07 -0.04 1.64 1.56 2ohfA1 LEU 30 HB3 -0.06 0.10 0.16 -0.04 1.64 1.79 2ohfA1 LEU 30 HG -0.08 -0.02 0.09 -0.04 1.64 1.58 2ohfA1 LEU 30 HD13 -0.07 0.00 0.08 -0.04 0.93 0.90 2ohfA1 LEU 30 HD23 -0.08 0.01 0.06 -0.04 0.89 0.83 2ohfA1 PRO 31 HA 0.01 0.08 0.75 -0.51 4.44 4.78 2ohfA1 PRO 31 HB2 -0.00 -0.01 0.02 -0.04 2.28 2.25 2ohfA1 PRO 31 HB3 -0.00 0.08 0.08 -0.04 2.02 2.14 2ohfA1 PRO 31 HG2 -0.03 0.04 0.04 -0.04 2.03 2.04 2ohfA1 PRO 31 HG3 -0.04 0.08 0.08 -0.04 2.03 2.11 2ohfA1 PRO 31 HD2 -0.05 0.10 0.19 -0.04 3.68 3.88 2ohfA1 PRO 31 HD3 -0.08 0.13 0.23 -0.04 3.65 3.89 2ohfA1 ASN 32 H 0.01 0.10 0.16 -0.55 8.53 8.26 2ohfA1 ASN 32 HA 0.01 -0.08 0.35 -0.75 4.76 4.28 2ohfA1 ASN 32 HB2 -0.01 0.19 0.08 -0.04 2.88 3.10 2ohfA1 ASN 32 HB3 -0.01 -0.00 0.28 -0.04 2.79 3.02 2ohfA1 ASN 32 HD21 0.01 0.04 0.04 -0.04 7.03 7.08 2ohfA1 ASN 32 HD22 0.01 -0.09 0.07 -0.04 7.74 7.70 2ohfA1 VAL 33 H 0.02 0.01 -0.09 -0.55 8.24 7.62 2ohfA1 VAL 33 HA -0.03 0.27 0.78 -0.75 4.13 4.40 2ohfA1 VAL 33 HB -0.04 -0.06 -0.01 -0.04 2.12 1.96 2ohfA1 VAL 33 HG13 -0.05 0.03 -0.43 -0.04 0.97 0.48 2ohfA1 VAL 33 HG23 0.03 0.03 -0.27 -0.04 0.95 0.70 2ohfA1 GLY 34 H 0.04 -0.02 0.03 -0.55 8.43 7.94 2ohfA1 GLY 34 HA2 0.08 -0.01 0.24 -0.51 4.01 3.81 2ohfA1 GLY 34 HA3 0.08 0.25 0.71 -0.51 4.01 4.53 2ohfA1 LYS 35 H 0.10 0.04 -0.02 -0.55 8.42 7.99 2ohfA1 LYS 35 HA 0.26 0.15 0.20 -0.75 4.32 4.17 2ohfA1 LYS 35 HB2 0.10 -0.11 0.10 -0.04 1.87 1.93 2ohfA1 LYS 35 HB3 0.14 0.15 -0.05 -0.04 1.79 1.98 2ohfA1 LYS 35 HG2 0.15 0.04 -0.15 -0.04 1.46 1.46 2ohfA1 LYS 35 HG3 0.10 -0.13 -0.07 -0.04 1.46 1.32 2ohfA1 LYS 35 HD2 0.19 0.11 -0.03 -0.04 1.69 1.92 2ohfA1 LYS 35 HD3 0.15 0.20 -0.05 -0.04 1.68 1.95 2ohfA1 LYS 35 HE2 0.11 -0.01 0.00 -0.04 2.99 3.05 2ohfA1 LYS 35 HE3 0.18 0.11 -0.01 -0.04 2.99 3.23 2ohfA1 SER 36 H 0.11 0.01 -0.10 -0.55 8.46 7.93 2ohfA1 SER 36 HA 0.14 0.20 0.31 -0.75 4.49 4.39 2ohfA1 SER 36 HB2 0.08 -0.11 0.04 -0.04 3.95 3.92 2ohfA1 SER 36 HB3 0.08 0.12 -0.01 -0.04 3.93 4.08 2ohfA1 THR 37 H 0.12 -0.05 -0.26 -0.55 8.28 7.55 2ohfA1 THR 37 HA 0.10 0.09 0.39 -0.75 4.39 4.22 2ohfA1 THR 37 HB 0.15 0.04 0.08 -0.04 4.32 4.55 2ohfA1 THR 37 HG23 0.10 -0.01 -0.16 -0.04 1.22 1.12 2ohfA1 PHE 38 H 0.31 0.89 -0.08 -0.55 8.34 8.90 2ohfA1 PHE 38 HA 0.09 -0.08 0.22 -0.75 4.62 4.10 2ohfA1 PHE 38 HB2 0.19 -0.09 -0.01 -0.04 3.15 3.19 2ohfA1 PHE 38 HB3 0.11 0.11 0.08 -0.04 3.06 3.32 2ohfA1 PHE 38 HD2 -0.08 -0.05 -0.09 -0.04 7.28 7.01 2ohfA1 PHE 38 HE2 -0.30 -0.00 -0.14 -0.04 7.38 6.90 2ohfA1 PHE 38 HZ -0.84 0.04 -0.16 -0.04 7.32 6.32 2ohfA1 PHE 39 H 0.26 0.70 -0.14 -0.55 8.34 8.60 2ohfA1 PHE 39 HA -0.30 0.02 0.40 -0.75 4.62 4.00 2ohfA1 PHE 39 HB2 -0.02 -0.04 0.03 -0.04 3.15 3.08 2ohfA1 PHE 39 HB3 -0.01 0.02 0.12 -0.04 3.06 3.15 2ohfA1 PHE 39 HD2 -0.05 -0.05 -0.17 -0.04 7.28 6.97 2ohfA1 PHE 39 HE2 -0.04 0.05 -0.22 -0.04 7.38 7.13 2ohfA1 PHE 39 HZ -0.04 0.16 -0.51 -0.04 7.32 6.88 2ohfA1 ASN 40 H 0.11 0.68 -0.09 -0.55 8.53 8.69 2ohfA1 ASN 40 HA -0.12 0.01 0.28 -0.75 4.76 4.18 2ohfA1 ASN 40 HB2 0.09 0.04 0.10 -0.04 2.88 3.06 2ohfA1 ASN 40 HB3 0.03 -0.03 0.17 -0.04 2.79 2.91 2ohfA1 ASN 40 HD21 0.02 -0.01 -0.02 -0.04 7.03 6.98 2ohfA1 ASN 40 HD22 0.05 -0.05 -0.04 -0.04 7.74 7.66 2ohfA1 VAL 41 H -0.03 0.61 -0.10 -0.55 8.24 8.17 2ohfA1 VAL 41 HA -0.05 -0.04 0.24 -0.75 4.13 3.53 2ohfA1 VAL 41 HB 0.01 0.06 0.01 -0.04 2.12 2.17 2ohfA1 VAL 41 HG13 0.00 -0.01 -0.25 -0.04 0.97 0.67 2ohfA1 VAL 41 HG23 0.05 -0.03 -0.12 -0.04 0.95 0.81 2ohfA1 LEU 42 H -0.28 0.32 -0.25 -0.55 8.37 7.61 2ohfA1 LEU 42 HA -0.17 -0.06 0.34 -0.75 4.35 3.71 2ohfA1 LEU 42 HB2 -0.46 0.14 0.09 -0.04 1.64 1.37 2ohfA1 LEU 42 HB3 -0.25 -0.01 -0.10 -0.04 1.64 1.24 2ohfA1 LEU 42 HG -0.69 0.20 0.04 -0.04 1.64 1.15 2ohfA1 LEU 42 HD13 -0.46 -0.03 -0.12 -0.04 0.93 0.29 2ohfA1 LEU 42 HD23 -0.20 -0.04 -0.08 -0.04 0.89 0.53 2ohfA1 THR 43 H -0.47 0.39 -0.14 -0.55 8.28 7.51 2ohfA1 THR 43 HA -0.23 -0.02 0.39 -0.75 4.39 3.78 2ohfA1 THR 43 HB -0.24 -0.04 0.18 -0.04 4.32 4.18 2ohfA1 THR 43 HG23 -0.14 -0.03 0.13 -0.04 1.22 1.14 2ohfA1 ASN 44 H -0.13 0.51 -0.04 -0.55 8.53 8.32 2ohfA1 ASN 44 HA -0.06 0.04 0.25 -0.75 4.76 4.24 2ohfA1 ASN 44 HB2 -0.05 0.03 0.03 -0.04 2.88 2.85 2ohfA1 ASN 44 HB3 -0.04 -0.04 0.06 -0.04 2.79 2.73 2ohfA1 ASN 44 HD21 -0.02 -0.06 -0.02 -0.04 7.03 6.90 2ohfA1 ASN 44 HD22 -0.02 -0.03 -0.03 -0.04 7.74 7.62 2ohfA1 ASP 58 HA -0.01 -0.03 0.27 -0.75 4.63 4.10 2ohfA1 ASP 58 HB2 -0.02 0.03 0.08 -0.04 2.71 2.76 2ohfA1 ASP 58 HB3 -0.00 0.03 0.12 -0.04 2.70 2.81 2ohfA1 PRO 59 HA 0.08 0.21 0.65 -0.51 4.44 4.87 2ohfA1 PRO 59 HB2 -0.02 -0.01 0.07 -0.04 2.28 2.28 2ohfA1 PRO 59 HB3 0.01 0.02 0.12 -0.04 2.02 2.13 2ohfA1 PRO 59 HG2 -0.04 0.01 0.03 -0.04 2.03 1.99 2ohfA1 PRO 59 HG3 -0.01 0.01 0.07 -0.04 2.03 2.06 2ohfA1 PRO 59 HD2 -0.03 0.05 0.19 -0.04 3.68 3.85 2ohfA1 PRO 59 HD3 -0.01 0.15 0.16 -0.04 3.65 3.91 2ohfA1 ASN 60 H -0.06 0.03 -0.29 -0.55 8.53 7.67 2ohfA1 ASN 60 HA -0.41 0.20 0.93 -0.75 4.76 4.73 2ohfA1 ASN 60 HB2 -0.14 0.00 0.01 -0.04 2.88 2.71 2ohfA1 ASN 60 HB3 -0.23 -0.03 0.07 -0.04 2.79 2.56 2ohfA1 ASN 60 HD21 -0.15 -0.04 0.03 -0.04 7.03 6.83 2ohfA1 ASN 60 HD22 -0.21 0.02 0.05 -0.04 7.74 7.56 2ohfA1 GLU 61 H 0.02 0.17 -0.08 -0.55 8.60 8.16 2ohfA1 GLU 61 HA 0.09 0.32 1.02 -0.75 4.29 4.97 2ohfA1 GLU 61 HB2 0.01 -0.05 0.04 -0.04 2.09 2.04 2ohfA1 GLU 61 HB3 0.02 0.01 -0.07 -0.04 1.99 1.91 2ohfA1 GLU 61 HG2 -0.00 0.03 -0.13 -0.04 2.34 2.21 2ohfA1 GLU 61 HG3 -0.04 -0.09 -0.21 -0.04 2.34 1.96 2ohfA1 SER 62 H 0.15 0.50 0.31 -0.55 8.46 8.87 2ohfA1 SER 62 HA 0.02 0.09 0.25 -0.75 4.49 4.09 2ohfA1 SER 62 HB2 -0.02 0.04 -0.36 -0.04 3.95 3.58 2ohfA1 SER 62 HB3 -0.14 -0.04 -0.13 -0.04 3.93 3.59 2ohfA1 ARG 63 H -0.04 0.18 0.17 -0.55 8.46 8.22 2ohfA1 ARG 63 HA 0.04 0.33 0.85 -0.75 4.34 4.81 2ohfA1 ARG 63 HB2 -0.18 -0.01 0.12 -0.04 1.90 1.80 2ohfA1 ARG 63 HB3 -0.15 -0.01 -0.11 -0.04 1.80 1.49 2ohfA1 ARG 63 HG2 -0.05 0.03 -0.13 -0.04 1.67 1.48 2ohfA1 ARG 63 HG3 -0.08 -0.06 -0.08 -0.04 1.67 1.41 2ohfA1 ARG 63 HD2 -0.15 0.00 -0.05 -0.04 3.22 2.98 2ohfA1 ARG 63 HD3 -0.27 -0.01 -0.02 -0.04 3.22 2.89 2ohfA1 VAL 64 H 0.12 0.50 0.28 -0.55 8.24 8.60 2ohfA1 VAL 64 HA 0.07 0.29 0.96 -0.75 4.13 4.70 2ohfA1 VAL 64 HB -0.04 0.09 -0.01 -0.04 2.12 2.12 2ohfA1 VAL 64 HG13 -0.07 0.02 -0.33 -0.04 0.97 0.56 2ohfA1 VAL 64 HG23 0.02 0.01 -0.01 -0.04 0.95 0.93 2ohfA1 PRO 65 HA -0.87 0.22 0.50 -0.51 4.44 3.78 2ohfA1 PRO 65 HB2 -0.25 -0.06 -0.09 -0.04 2.28 1.85 2ohfA1 PRO 65 HB3 -0.46 0.02 0.05 -0.04 2.02 1.59 2ohfA1 PRO 65 HG2 -0.09 0.02 0.08 -0.04 2.03 2.00 2ohfA1 PRO 65 HG3 -0.06 0.05 0.08 -0.04 2.03 2.06 2ohfA1 PRO 65 HD2 -0.04 0.14 0.22 -0.04 3.68 3.95 2ohfA1 PRO 65 HD3 0.09 0.23 0.25 -0.04 3.65 4.18 2ohfA1 VAL 66 H -0.57 0.48 0.09 -0.55 8.24 7.69 2ohfA1 VAL 66 HA -0.21 0.14 0.68 -0.75 4.13 3.99 2ohfA1 VAL 66 HB -0.56 -0.12 -0.04 -0.04 2.12 1.36 2ohfA1 VAL 66 HG13 -0.18 0.01 -0.22 -0.04 0.97 0.55 2ohfA1 VAL 66 HG23 -0.64 0.00 -0.25 -0.04 0.95 0.02 2ohfA1 PRO 67 HA -0.13 0.11 0.68 -0.51 4.44 4.59 2ohfA1 PRO 67 HB2 -0.01 -0.05 -0.06 -0.04 2.28 2.12 2ohfA1 PRO 67 HB3 -0.04 0.08 0.03 -0.04 2.02 2.04 2ohfA1 PRO 67 HG2 -0.01 -0.01 0.09 -0.04 2.03 2.05 2ohfA1 PRO 67 HG3 -0.03 0.01 0.07 -0.04 2.03 2.05 2ohfA1 PRO 67 HD2 -0.06 0.03 0.20 -0.04 3.68 3.81 2ohfA1 PRO 67 HD3 -0.08 0.29 0.19 -0.04 3.65 4.01 2ohfA1 ASP 68 H -0.01 0.25 0.10 -0.55 8.40 8.20 2ohfA1 ASP 68 HA 0.06 0.14 0.54 -0.75 4.63 4.62 2ohfA1 ASP 68 HB2 0.08 0.19 -0.28 -0.04 2.71 2.66 2ohfA1 ASP 68 HB3 0.20 -0.13 0.05 -0.04 2.70 2.77 2ohfA1 GLU 69 H 0.06 0.25 0.06 -0.55 8.60 8.43 2ohfA1 GLU 69 HA 0.10 0.12 0.47 -0.75 4.29 4.22 2ohfA1 GLU 69 HB2 0.04 -0.02 0.12 -0.04 2.09 2.19 2ohfA1 GLU 69 HB3 0.08 0.06 -0.04 -0.04 1.99 2.05 2ohfA1 GLU 69 HG2 0.08 0.04 0.02 -0.04 2.34 2.44 2ohfA1 GLU 69 HG3 0.06 -0.01 0.02 -0.04 2.34 2.37 2ohfA1 ARG 70 H -0.03 0.12 -0.15 -0.55 8.46 7.85 2ohfA1 ARG 70 HA -0.31 0.10 0.29 -0.75 4.34 3.66 2ohfA1 ARG 70 HB2 -0.03 -0.01 0.01 -0.04 1.90 1.83 2ohfA1 ARG 70 HB3 -0.84 0.06 -0.02 -0.04 1.80 0.96 2ohfA1 ARG 70 HG2 -1.53 0.03 -0.01 -0.04 1.67 0.12 2ohfA1 ARG 70 HG3 -0.28 -0.07 0.04 -0.04 1.67 1.33 2ohfA1 ARG 70 HD2 -0.21 0.01 0.02 -0.04 3.22 3.00 2ohfA1 ARG 70 HD3 -0.14 0.03 -0.00 -0.04 3.22 3.07 2ohfA1 PHE 71 H 0.21 0.06 -0.40 -0.55 8.34 7.66 2ohfA1 PHE 71 HA -0.17 0.05 0.17 -0.75 4.62 3.92 2ohfA1 PHE 71 HB2 0.14 -0.05 0.02 -0.04 3.15 3.21 2ohfA1 PHE 71 HB3 0.01 0.13 0.13 -0.04 3.06 3.29 2ohfA1 PHE 71 HD2 0.12 -0.01 -0.16 -0.04 7.28 7.18 2ohfA1 PHE 71 HE2 -0.05 0.07 -0.24 -0.04 7.38 7.13 2ohfA1 PHE 71 HZ -0.08 -0.10 -0.29 -0.04 7.32 6.82 2ohfA1 ASP 72 H 0.23 0.40 -0.09 -0.55 8.40 8.40 2ohfA1 ASP 72 HA 0.06 0.02 0.33 -0.75 4.63 4.29 2ohfA1 ASP 72 HB2 0.14 0.11 0.13 -0.04 2.71 3.05 2ohfA1 ASP 72 HB3 0.09 -0.01 0.02 -0.04 2.70 2.77 2ohfA1 PHE 73 H 0.26 0.57 -0.23 -0.55 8.34 8.39 2ohfA1 PHE 73 HA 0.10 0.01 0.37 -0.75 4.62 4.34 2ohfA1 PHE 73 HB2 0.20 -0.02 0.07 -0.04 3.15 3.36 2ohfA1 PHE 73 HB3 0.29 0.09 0.15 -0.04 3.06 3.56 2ohfA1 PHE 73 HD2 0.20 -0.00 -0.15 -0.04 7.28 7.28 2ohfA1 PHE 73 HE2 -0.05 0.01 -0.10 -0.04 7.38 7.20 2ohfA1 PHE 73 HZ -0.12 0.11 -0.03 -0.04 7.32 7.24 2ohfA1 LEU 74 H 0.18 0.71 -0.02 -0.55 8.37 8.69 2ohfA1 LEU 74 HA 0.28 -0.01 0.32 -0.75 4.35 4.18 2ohfA1 LEU 74 HB2 -0.25 0.15 0.08 -0.04 1.64 1.58 2ohfA1 LEU 74 HB3 -0.09 -0.07 -0.01 -0.04 1.64 1.43 2ohfA1 LEU 74 HG 0.26 0.04 0.01 -0.04 1.64 1.92 2ohfA1 LEU 74 HD13 -0.74 -0.04 -0.18 -0.04 0.93 -0.06 2ohfA1 LEU 74 HD23 0.02 -0.02 -0.04 -0.04 0.89 0.81 2ohfA1 CYS 75 H -0.09 0.38 -0.49 -0.55 8.50 7.75 2ohfA1 CYS 75 HA -0.09 0.05 0.33 -0.75 4.58 4.11 2ohfA1 CYS 75 HB2 -0.42 0.07 -0.01 -0.04 2.97 2.57 2ohfA1 CYS 75 HB3 -0.11 0.03 0.07 -0.04 2.97 2.92 2ohfA1 GLN 76 H -0.05 0.58 0.10 -0.55 8.47 8.54 2ohfA1 GLN 76 HA -0.05 0.02 0.52 -0.75 4.36 4.10 2ohfA1 GLN 76 HB2 -0.13 0.10 0.19 -0.04 2.15 2.27 2ohfA1 GLN 76 HB3 -0.10 -0.04 0.01 -0.04 2.02 1.85 2ohfA1 GLN 76 HG2 -0.03 -0.03 0.05 -0.04 2.40 2.36 2ohfA1 GLN 76 HG3 -0.02 0.03 0.09 -0.04 2.39 2.46 2ohfA1 GLN 76 HE21 0.02 -0.04 -0.02 -0.04 6.97 6.89 2ohfA1 GLN 76 HE22 -0.00 0.00 -0.00 -0.04 7.69 7.65 2ohfA1 TYR 77 H -0.10 0.56 -0.21 -0.55 8.29 7.99 2ohfA1 TYR 77 HA -0.22 0.01 0.33 -0.75 4.56 3.92 2ohfA1 TYR 77 HB2 -0.51 -0.00 0.05 -0.04 3.06 2.56 2ohfA1 TYR 77 HB3 -0.09 0.02 0.09 -0.04 2.98 2.96 2ohfA1 TYR 77 HD2 -0.67 0.04 -0.18 -0.04 7.15 6.29 2ohfA1 TYR 77 HE2 -0.23 0.06 -0.00 -0.04 6.85 6.63 2ohfA1 HIS 78 H 0.31 0.46 -0.13 -0.55 8.41 8.50 2ohfA1 HIS 78 HA 0.03 0.04 0.46 -0.75 4.63 4.41 2ohfA1 HIS 78 HB2 0.04 0.08 -0.07 -0.04 3.26 3.28 2ohfA1 HIS 78 HB3 0.07 -0.05 -0.32 -0.04 3.20 2.85 2ohfA1 HIS 78 HD2 0.15 -0.10 -0.19 -0.04 6.97 6.78 2ohfA1 HIS 78 HE1 -0.27 -0.08 -0.06 -0.04 7.75 7.30 2ohfA1 LYS 79 H 0.03 0.53 -0.20 -0.55 8.42 8.24 2ohfA1 LYS 79 HA -0.00 0.02 0.31 -0.75 4.32 3.90 2ohfA1 LYS 79 HB2 -0.02 0.05 -0.10 -0.04 1.87 1.76 2ohfA1 LYS 79 HB3 -0.01 -0.10 0.11 -0.04 1.79 1.75 2ohfA1 LYS 79 HG2 -0.05 0.13 0.03 -0.04 1.46 1.53 2ohfA1 LYS 79 HG3 -0.08 0.08 -0.22 -0.04 1.46 1.20 2ohfA1 LYS 79 HD2 -0.05 -0.07 -0.01 -0.04 1.69 1.52 2ohfA1 LYS 79 HD3 -0.03 -0.06 0.01 -0.04 1.68 1.55 2ohfA1 LYS 79 HE2 -0.06 -0.12 0.01 -0.04 2.99 2.78 2ohfA1 LYS 79 HE3 -0.07 0.05 0.04 -0.04 2.99 2.96 2ohfA1 PRO 80 HA 0.04 0.44 0.30 -0.51 4.44 4.71 2ohfA1 PRO 80 HB2 0.02 -0.03 -0.43 -0.04 2.28 1.79 2ohfA1 PRO 80 HB3 0.02 0.13 -0.38 -0.04 2.02 1.75 2ohfA1 PRO 80 HG2 -0.01 -0.01 -0.23 -0.04 2.03 1.73 2ohfA1 PRO 80 HG3 -0.05 -0.07 -0.10 -0.04 2.03 1.77 2ohfA1 PRO 80 HD2 -0.01 0.05 0.04 -0.04 3.68 3.73 2ohfA1 PRO 80 HD3 0.04 0.09 -0.02 -0.04 3.65 3.72 2ohfA1 ALA 81 H 0.03 0.23 0.27 -0.55 8.40 8.38 2ohfA1 ALA 81 HA 0.02 -0.01 0.48 -0.75 4.34 4.08 2ohfA1 ALA 81 HB3 0.03 0.01 0.21 -0.04 1.41 1.63 2ohfA1 SER 82 H 0.03 0.25 -0.27 -0.55 8.46 7.92 2ohfA1 SER 82 HA 0.03 0.13 0.86 -0.75 4.49 4.75 2ohfA1 SER 82 HB2 0.03 -0.01 -0.13 -0.04 3.95 3.80 2ohfA1 SER 82 HB3 0.04 0.06 0.11 -0.04 3.93 4.10 2ohfA1 LYS 83 H 0.04 0.27 0.21 -0.55 8.42 8.38 2ohfA1 LYS 83 HA 0.05 0.18 0.90 -0.75 4.32 4.70 2ohfA1 LYS 83 HB2 0.10 -0.01 0.09 -0.04 1.87 2.02 2ohfA1 LYS 83 HB3 0.10 -0.05 0.02 -0.04 1.79 1.82 2ohfA1 LYS 83 HG2 -0.02 0.01 -0.15 -0.04 1.46 1.26 2ohfA1 LYS 83 HG3 0.02 -0.05 -0.36 -0.04 1.46 1.04 2ohfA1 LYS 83 HD2 0.04 -0.06 -0.03 -0.04 1.69 1.60 2ohfA1 LYS 83 HD3 0.01 0.03 -0.08 -0.04 1.68 1.60 2ohfA1 LYS 83 HE2 0.03 -0.05 0.05 -0.04 2.99 2.98 2ohfA1 LYS 83 HE3 0.02 -0.06 -0.00 -0.04 2.99 2.91 2ohfA1 ILE 84 H 0.32 0.40 0.18 -0.55 8.25 8.60 2ohfA1 ILE 84 HA 0.02 0.18 0.83 -0.75 4.18 4.46 2ohfA1 ILE 84 HB -0.08 -0.07 0.17 -0.04 1.89 1.87 2ohfA1 ILE 84 HG12 0.02 0.14 -0.03 -0.04 1.49 1.57 2ohfA1 ILE 84 HG13 0.02 -0.10 -0.64 -0.04 1.21 0.44 2ohfA1 ILE 84 HG23 -0.09 0.03 -0.03 -0.04 0.93 0.80 2ohfA1 ILE 84 HD13 -0.06 -0.01 -0.07 -0.04 0.88 0.69 2ohfA1 PRO 85 HA -0.80 -0.02 0.80 -0.51 4.44 3.91 2ohfA1 PRO 85 HB2 -0.94 0.13 0.19 -0.04 2.28 1.61 2ohfA1 PRO 85 HB3 -1.71 -0.07 0.09 -0.04 2.02 0.28 2ohfA1 PRO 85 HG2 -0.91 0.12 0.02 -0.04 2.03 1.22 2ohfA1 PRO 85 HG3 -0.57 0.00 0.02 -0.04 2.03 1.44 2ohfA1 PRO 85 HD2 -0.31 0.14 0.14 -0.04 3.68 3.61 2ohfA1 PRO 85 HD3 -0.17 0.12 0.01 -0.04 3.65 3.57 2ohfA1 ALA 86 H -0.92 -0.01 0.13 -0.55 8.40 7.06 2ohfA1 ALA 86 HA -0.28 0.18 0.61 -0.75 4.34 4.11 2ohfA1 ALA 86 HB3 -0.61 -0.01 -0.01 -0.04 1.41 0.74 2ohfA1 PHE 87 H 0.12 0.24 0.13 -0.55 8.34 8.27 2ohfA1 PHE 87 HA -0.14 0.26 0.70 -0.75 4.62 4.68 2ohfA1 PHE 87 HB2 -0.05 -0.02 -0.05 -0.04 3.15 2.99 2ohfA1 PHE 87 HB3 -0.05 -0.01 -0.19 -0.04 3.06 2.77 2ohfA1 PHE 87 HD2 -0.12 -0.05 -0.43 -0.04 7.28 6.64 2ohfA1 PHE 87 HE2 -0.13 0.04 -0.08 -0.04 7.38 7.16 2ohfA1 PHE 87 HZ -0.11 -0.02 -0.04 -0.04 7.32 7.11 2ohfA1 LEU 88 H 0.09 0.65 0.21 -0.55 8.37 8.77 2ohfA1 LEU 88 HA 0.24 0.16 0.88 -0.75 4.35 4.88 2ohfA1 LEU 88 HB2 0.19 -0.03 0.01 -0.04 1.64 1.77 2ohfA1 LEU 88 HB3 0.10 -0.01 0.07 -0.04 1.64 1.76 2ohfA1 LEU 88 HG 0.07 0.07 -0.28 -0.04 1.64 1.45 2ohfA1 LEU 88 HD13 0.13 -0.01 -0.08 -0.04 0.93 0.93 2ohfA1 LEU 88 HD23 0.13 0.02 -0.02 -0.04 0.89 0.97 2ohfA1 ASN 89 H 0.07 0.22 0.10 -0.55 8.53 8.37 2ohfA1 ASN 89 HA 0.04 0.24 0.88 -0.75 4.76 5.16 2ohfA1 ASN 89 HB2 0.02 0.06 0.11 -0.04 2.88 3.03 2ohfA1 ASN 89 HB3 0.00 -0.04 0.23 -0.04 2.79 2.94 2ohfA1 ASN 89 HD21 -0.01 -0.04 -0.16 -0.04 7.03 6.78 2ohfA1 ASN 89 HD22 0.00 0.02 -0.17 -0.04 7.74 7.55 2ohfA1 VAL 90 H 0.06 0.58 0.32 -0.55 8.24 8.66 2ohfA1 VAL 90 HA 0.04 0.31 1.10 -0.75 4.13 4.82 2ohfA1 VAL 90 HB 0.10 0.00 0.03 -0.04 2.12 2.21 2ohfA1 VAL 90 HG13 0.21 -0.01 -0.16 -0.04 0.97 0.96 2ohfA1 VAL 90 HG23 0.09 0.03 -0.28 -0.04 0.95 0.75 2ohfA1 VAL 91 H 0.05 0.54 0.39 -0.55 8.24 8.67 2ohfA1 VAL 91 HA -0.01 0.34 1.07 -0.75 4.13 4.77 2ohfA1 VAL 91 HB -0.05 -0.09 0.10 -0.04 2.12 2.04 2ohfA1 VAL 91 HG13 -0.13 -0.01 -0.19 -0.04 0.97 0.60 2ohfA1 VAL 91 HG23 -0.02 0.04 -0.17 -0.04 0.95 0.76 2ohfA1 ASP 92 H -0.31 0.91 0.29 -0.55 8.40 8.75 2ohfA1 ASP 92 HA -0.10 0.05 0.87 -0.75 4.63 4.69 2ohfA1 ASP 92 HB2 -1.09 0.03 0.01 -0.04 2.71 1.61 2ohfA1 ASP 92 HB3 -0.89 0.05 0.22 -0.04 2.70 2.03 2ohfA1 ILE 93 H -0.14 0.28 0.09 -0.55 8.25 7.93 2ohfA1 ILE 93 HA -0.36 0.00 0.15 -0.75 4.18 3.21 2ohfA1 ILE 93 HB -0.44 0.06 0.17 -0.04 1.89 1.64 2ohfA1 ILE 93 HG12 -0.23 -0.02 -0.14 -0.04 1.49 1.06 2ohfA1 ILE 93 HG13 -0.16 0.11 0.03 -0.04 1.21 1.14 2ohfA1 ILE 93 HG23 -0.97 -0.02 -0.12 -0.04 0.93 -0.22 2ohfA1 ILE 93 HD13 -0.25 -0.00 -0.21 -0.04 0.88 0.38 2ohfA1 ALA 94 H -0.35 0.23 0.18 -0.55 8.40 7.91 2ohfA1 ALA 94 HA -0.10 0.06 0.83 -0.75 4.34 4.38 2ohfA1 ALA 94 HB3 -0.15 0.01 0.08 -0.04 1.41 1.32 2ohfA1 GLY 95 H -0.01 0.24 0.03 -0.55 8.43 8.14 2ohfA1 GLY 95 HA2 0.04 0.07 0.23 -0.51 4.01 3.84 2ohfA1 GLY 95 HA3 0.09 0.22 0.17 -0.51 4.01 3.98 2ohfA1 GLY 107 HA2 -0.02 0.04 0.17 -0.51 4.01 3.70 2ohfA1 GLY 107 HA3 0.07 -0.22 0.34 -0.51 4.01 3.69 2ohfA1 ASN 108 H 0.10 -0.21 0.12 -0.55 8.53 7.99 2ohfA1 ASN 108 HA 0.04 0.24 0.63 -0.75 4.76 4.91 2ohfA1 ASN 108 HB2 0.02 -0.11 0.01 -0.04 2.88 2.77 2ohfA1 ASN 108 HB3 0.01 0.07 -0.04 -0.04 2.79 2.79 2ohfA1 ASN 108 HD21 0.00 0.04 -0.07 -0.04 7.03 6.96 2ohfA1 ASN 108 HD22 0.01 -0.06 -0.09 -0.04 7.74 7.56 2ohfA1 ALA 109 H 0.05 0.17 0.13 -0.55 8.40 8.21 2ohfA1 ALA 109 HA -0.04 0.21 0.68 -0.75 4.34 4.45 2ohfA1 ALA 109 HB3 0.04 0.04 0.09 -0.04 1.41 1.53 2ohfA1 PHE 110 H 0.23 -0.11 0.01 -0.55 8.34 7.91 2ohfA1 PHE 110 HA 0.12 0.10 0.48 -0.75 4.62 4.57 2ohfA1 PHE 110 HB2 0.02 -0.05 0.53 -0.04 3.15 3.61 2ohfA1 PHE 110 HB3 0.01 0.07 0.01 -0.04 3.06 3.11 2ohfA1 PHE 110 HD2 0.01 -0.03 -0.28 -0.04 7.28 6.93 2ohfA1 PHE 110 HE2 -0.01 0.02 -0.05 -0.04 7.38 7.29 2ohfA1 PHE 110 HZ 0.01 -0.03 0.11 -0.04 7.32 7.37 2ohfA1 LEU 111 H 0.18 0.08 -0.35 -0.55 8.37 7.73 2ohfA1 LEU 111 HA 0.12 0.06 0.27 -0.75 4.35 4.04 2ohfA1 LEU 111 HB2 0.06 0.09 0.02 -0.04 1.64 1.77 2ohfA1 LEU 111 HB3 0.05 0.06 -0.02 -0.04 1.64 1.68 2ohfA1 LEU 111 HG 0.09 0.02 -0.06 -0.04 1.64 1.64 2ohfA1 LEU 111 HD13 0.17 -0.03 -0.23 -0.04 0.93 0.79 2ohfA1 LEU 111 HD23 0.03 0.01 -0.06 -0.04 0.89 0.82 2ohfA1 SER 112 H -0.03 0.12 -0.54 -0.55 8.46 7.47 2ohfA1 SER 112 HA -0.08 0.10 0.51 -0.75 4.49 4.26 2ohfA1 SER 112 HB2 -0.12 -0.03 0.17 -0.04 3.95 3.93 2ohfA1 SER 112 HB3 -0.36 0.21 0.13 -0.04 3.93 3.87 2ohfA1 HIS 113 H -0.16 0.34 -0.25 -0.55 8.41 7.80 2ohfA1 HIS 113 HA -0.08 0.09 0.37 -0.75 4.63 4.26 2ohfA1 HIS 113 HB2 -0.26 0.09 0.07 -0.04 3.26 3.13 2ohfA1 HIS 113 HB3 -0.16 -0.02 -0.05 -0.04 3.20 2.93 2ohfA1 HIS 113 HD2 -0.08 0.05 -0.04 -0.04 6.97 6.85 2ohfA1 HIS 113 HE1 -0.06 -0.14 -0.03 -0.04 7.75 7.48 2ohfA1 ILE 114 H -0.01 0.20 -0.27 -0.55 8.25 7.62 2ohfA1 ILE 114 HA -0.02 0.02 0.32 -0.75 4.18 3.75 2ohfA1 ILE 114 HB 0.04 0.03 0.10 -0.04 1.89 2.01 2ohfA1 ILE 114 HG12 0.02 -0.01 -0.12 -0.04 1.49 1.34 2ohfA1 ILE 114 HG13 0.00 0.05 -0.13 -0.04 1.21 1.09 2ohfA1 ILE 114 HG23 0.01 0.01 -0.19 -0.04 0.93 0.72 2ohfA1 ILE 114 HD13 0.18 -0.02 -0.13 -0.04 0.88 0.88 2ohfA1 SER 115 H -0.01 0.49 -0.12 -0.55 8.46 8.27 2ohfA1 SER 115 HA -0.00 0.09 0.42 -0.75 4.49 4.24 2ohfA1 SER 115 HB2 -0.03 0.07 0.17 -0.04 3.95 4.13 2ohfA1 SER 115 HB3 -0.03 -0.00 0.01 -0.04 3.93 3.87 2ohfA1 ALA 116 H -0.02 0.10 -0.76 -0.55 8.40 7.18 2ohfA1 ALA 116 HA -0.02 0.07 0.57 -0.75 4.34 4.21 2ohfA1 ALA 116 HB3 -0.00 -0.03 0.11 -0.04 1.41 1.45 2ohfA1 CYS 117 H -0.02 0.62 -0.47 -0.55 8.50 8.08 2ohfA1 CYS 117 HA -0.03 0.07 0.78 -0.75 4.58 4.64 2ohfA1 CYS 117 HB2 -0.02 0.13 0.07 -0.04 2.97 3.10 2ohfA1 CYS 117 HB3 -0.04 -0.13 0.08 -0.04 2.97 2.84 2ohfA1 ASP 118 H -0.05 0.59 0.35 -0.55 8.40 8.74 2ohfA1 ASP 118 HA -0.03 0.22 0.96 -0.75 4.63 5.02 2ohfA1 ASP 118 HB2 -0.06 -0.00 0.19 -0.04 2.71 2.80 2ohfA1 ASP 118 HB3 -0.05 0.03 0.20 -0.04 2.70 2.85 2ohfA1 GLY 119 H -0.05 0.16 0.27 -0.55 8.43 8.26 2ohfA1 GLY 119 HA2 -0.02 0.12 0.30 -0.51 4.01 3.91 2ohfA1 GLY 119 HA3 -0.05 0.08 0.47 -0.51 4.01 4.00 2ohfA1 ILE 120 H -0.02 1.00 0.35 -0.55 8.25 9.03 2ohfA1 ILE 120 HA -0.01 0.13 1.14 -0.75 4.18 4.69 2ohfA1 ILE 120 HB -0.04 0.04 0.10 -0.04 1.89 1.95 2ohfA1 ILE 120 HG12 -0.02 -0.07 -0.13 -0.04 1.49 1.23 2ohfA1 ILE 120 HG13 -0.02 -0.01 -0.39 -0.04 1.21 0.76 2ohfA1 ILE 120 HG23 -0.03 -0.04 -0.34 -0.04 0.93 0.48 2ohfA1 ILE 120 HD13 -0.03 0.03 -0.13 -0.04 0.88 0.70 2ohfA1 PHE 121 H 0.08 0.33 0.20 -0.55 8.34 8.40 2ohfA1 PHE 121 HA 0.04 0.18 0.80 -0.75 4.62 4.88 2ohfA1 PHE 121 HB2 0.13 0.09 0.04 -0.04 3.15 3.37 2ohfA1 PHE 121 HB3 0.09 -0.12 0.07 -0.04 3.06 3.06 2ohfA1 PHE 121 HD2 0.17 0.04 -0.09 -0.04 7.28 7.36 2ohfA1 PHE 121 HE2 0.10 0.02 -0.15 -0.04 7.38 7.30 2ohfA1 PHE 121 HZ 0.10 0.11 -0.16 -0.04 7.32 7.33 2ohfA1 HIS 122 H 0.13 0.41 0.04 -0.55 8.41 8.45 2ohfA1 HIS 122 HA 0.00 0.21 0.64 -0.75 4.63 4.72 2ohfA1 HIS 122 HB2 -0.25 0.01 0.04 -0.04 3.26 3.02 2ohfA1 HIS 122 HB3 -0.31 -0.10 0.11 -0.04 3.20 2.85 2ohfA1 HIS 122 HD2 -0.02 0.36 0.04 -0.04 6.97 7.31 2ohfA1 HIS 122 HE1 0.08 0.03 0.03 -0.04 7.75 7.84 2ohfA1 LEU 123 H 0.14 0.25 0.32 -0.55 8.37 8.53 2ohfA1 LEU 123 HA -0.03 0.13 0.66 -0.75 4.35 4.36 2ohfA1 LEU 123 HB2 -0.06 0.01 0.00 -0.04 1.64 1.55 2ohfA1 LEU 123 HB3 0.07 -0.04 -0.14 -0.04 1.64 1.48 2ohfA1 LEU 123 HG 0.01 -0.01 -0.17 -0.04 1.64 1.44 2ohfA1 LEU 123 HD13 0.00 0.06 0.00 -0.04 0.93 0.96 2ohfA1 LEU 123 HD23 0.08 -0.04 -0.33 -0.04 0.89 0.56 2ohfA1 THR 124 H -0.02 0.19 0.28 -0.55 8.28 8.18 2ohfA1 THR 124 HA -0.08 0.01 0.72 -0.75 4.39 4.29 2ohfA1 THR 124 HB -0.08 0.10 -0.16 -0.04 4.32 4.15 2ohfA1 THR 124 HG23 -0.15 -0.05 -0.19 -0.04 1.22 0.79 2ohfA1 ARG 125 H -0.17 0.18 0.19 -0.55 8.46 8.10 2ohfA1 ARG 125 HA -0.15 0.16 0.67 -0.75 4.34 4.27 2ohfA1 ARG 125 HB2 -0.12 -0.02 0.07 -0.04 1.90 1.80 2ohfA1 ARG 125 HB3 -0.20 -0.00 0.04 -0.04 1.80 1.60 2ohfA1 ARG 125 HG2 -0.13 0.01 0.01 -0.04 1.67 1.52 2ohfA1 ARG 125 HG3 -0.10 -0.00 0.01 -0.04 1.67 1.54 2ohfA1 ARG 125 HD2 -0.07 0.18 0.12 -0.04 3.22 3.41 2ohfA1 ARG 125 HD3 -0.12 -0.01 0.01 -0.04 3.22 3.07 2ohfA1 ALA 126 H -0.14 0.49 0.22 -0.55 8.40 8.43 2ohfA1 ALA 126 HA -0.51 0.14 0.45 -0.75 4.34 3.67 2ohfA1 ALA 126 HB3 0.19 0.03 -0.03 -0.04 1.41 1.56 2ohfA1 VAL 139 HA 0.01 0.06 0.19 -0.75 4.13 3.64 2ohfA1 VAL 139 HB 0.15 -0.09 0.15 -0.04 2.12 2.29 2ohfA1 VAL 139 HG13 0.09 0.03 0.06 -0.04 0.97 1.10 2ohfA1 VAL 139 HG23 0.33 0.00 0.00 -0.04 0.95 1.25 2ohfA1 ASP 140 H -0.03 0.11 0.12 -0.55 8.40 8.06 2ohfA1 ASP 140 HA -0.18 0.03 0.37 -0.75 4.63 4.10 2ohfA1 ASP 140 HB2 -0.64 -0.05 -1.77 -0.04 2.71 0.21 2ohfA1 ASP 140 HB3 -0.69 0.09 0.68 -0.04 2.70 2.75 2ohfA1 PRO 141 HA -0.27 0.17 1.02 -0.51 4.44 4.85 2ohfA1 PRO 141 HB2 -0.24 0.02 -0.08 -0.04 2.28 1.94 2ohfA1 PRO 141 HB3 -0.41 0.25 -0.06 -0.04 2.02 1.76 2ohfA1 PRO 141 HG2 -0.21 0.05 -0.15 -0.04 2.03 1.67 2ohfA1 PRO 141 HG3 -0.85 -0.06 -0.17 -0.04 2.03 0.91 2ohfA1 PRO 141 HD2 -0.33 0.09 -0.12 -0.04 3.68 3.29 2ohfA1 PRO 141 HD3 -1.35 0.00 -1.89 -0.04 3.65 0.36 2ohfA1 ILE 142 H -0.17 0.56 0.14 -0.55 8.25 8.22 2ohfA1 ILE 142 HA -0.40 0.14 0.70 -0.75 4.18 3.87 2ohfA1 ILE 142 HB -0.07 0.13 0.15 -0.04 1.89 2.06 2ohfA1 ILE 142 HG12 -0.16 0.06 -0.10 -0.04 1.49 1.24 2ohfA1 ILE 142 HG13 -0.06 -0.12 -0.16 -0.04 1.21 0.84 2ohfA1 ILE 142 HG23 -0.29 0.01 -0.13 -0.04 0.93 0.48 2ohfA1 ILE 142 HD13 0.13 -0.01 -0.07 -0.04 0.88 0.88 2ohfA1 ARG 143 H -0.11 0.48 0.15 -0.55 8.46 8.42 2ohfA1 ARG 143 HA -0.09 0.07 0.52 -0.75 4.34 4.09 2ohfA1 ARG 143 HB2 -0.05 0.05 0.08 -0.04 1.90 1.94 2ohfA1 ARG 143 HB3 -0.08 0.03 -0.06 -0.04 1.80 1.65 2ohfA1 ARG 143 HG2 -0.07 0.00 -0.49 -0.04 1.67 1.07 2ohfA1 ARG 143 HG3 -0.05 0.01 -0.06 -0.04 1.67 1.53 2ohfA1 ARG 143 HD2 -0.05 0.00 -0.08 -0.04 3.22 3.06 2ohfA1 ARG 143 HD3 -0.04 -0.01 -0.06 -0.04 3.22 3.06 2ohfA1 ASP 144 H -0.16 0.17 -0.59 -0.55 8.40 7.28 2ohfA1 ASP 144 HA -0.08 0.01 0.29 -0.75 4.63 4.08 2ohfA1 ASP 144 HB2 -0.17 0.01 0.10 -0.04 2.71 2.60 2ohfA1 ASP 144 HB3 -0.09 -0.03 0.02 -0.04 2.70 2.56 2ohfA1 ILE 145 H -0.24 0.32 -0.31 -0.55 8.25 7.47 2ohfA1 ILE 145 HA 0.09 0.02 0.41 -0.75 4.18 3.95 2ohfA1 ILE 145 HB -0.61 0.05 0.23 -0.04 1.89 1.53 2ohfA1 ILE 145 HG12 -0.24 0.00 0.02 -0.04 1.49 1.22 2ohfA1 ILE 145 HG13 -0.26 0.04 0.08 -0.04 1.21 1.03 2ohfA1 ILE 145 HG23 -0.79 0.00 -0.16 -0.04 0.93 -0.05 2ohfA1 ILE 145 HD13 -0.18 -0.02 -0.04 -0.04 0.88 0.60 2ohfA1 GLU 146 H -0.28 0.59 -0.13 -0.55 8.60 8.24 2ohfA1 GLU 146 HA 0.05 0.04 0.33 -0.75 4.29 3.96 2ohfA1 GLU 146 HB2 -0.07 0.07 0.14 -0.04 2.09 2.19 2ohfA1 GLU 146 HB3 0.00 -0.03 0.03 -0.04 1.99 1.96 2ohfA1 GLU 146 HG2 -0.38 0.03 0.05 -0.04 2.34 2.00 2ohfA1 GLU 146 HG3 -0.10 -0.07 -0.04 -0.04 2.34 2.09 2ohfA1 ILE 147 H -0.05 0.58 -0.22 -0.55 8.25 8.01 2ohfA1 ILE 147 HA -0.01 0.00 0.45 -0.75 4.18 3.87 2ohfA1 ILE 147 HB -0.04 0.14 0.21 -0.04 1.89 2.16 2ohfA1 ILE 147 HG12 -0.03 -0.04 0.01 -0.04 1.49 1.38 2ohfA1 ILE 147 HG13 -0.04 0.12 0.02 -0.04 1.21 1.27 2ohfA1 ILE 147 HG23 -0.05 -0.02 -0.09 -0.04 0.93 0.73 2ohfA1 ILE 147 HD13 -0.05 -0.04 -0.11 -0.04 0.88 0.63 2ohfA1 ILE 148 H 0.01 0.55 0.06 -0.55 8.25 8.32 2ohfA1 ILE 148 HA -0.07 -0.07 0.22 -0.75 4.18 3.50 2ohfA1 ILE 148 HB 0.04 0.13 0.13 -0.04 1.89 2.15 2ohfA1 ILE 148 HG12 -0.02 -0.02 0.11 -0.04 1.49 1.51 2ohfA1 ILE 148 HG13 0.10 0.01 0.02 -0.04 1.21 1.31 2ohfA1 ILE 148 HG23 -0.41 0.00 -0.19 -0.04 0.93 0.29 2ohfA1 ILE 148 HD13 -0.13 -0.03 -0.09 -0.04 0.88 0.59 2ohfA1 HIS 149 H 0.18 0.60 -0.29 -0.55 8.41 8.35 2ohfA1 HIS 149 HA 0.04 -0.01 0.54 -0.75 4.63 4.45 2ohfA1 HIS 149 HB2 0.14 0.08 0.12 -0.04 3.26 3.56 2ohfA1 HIS 149 HB3 0.11 -0.01 -0.04 -0.04 3.20 3.22 2ohfA1 HIS 149 HD2 0.32 0.05 -0.08 -0.04 6.97 7.22 2ohfA1 HIS 149 HE1 0.39 0.05 -0.02 -0.04 7.75 8.12 2ohfA1 GLU 150 H 0.10 0.73 0.04 -0.55 8.60 8.92 2ohfA1 GLU 150 HA 0.03 -0.01 0.49 -0.75 4.29 4.04 2ohfA1 GLU 150 HB2 0.02 0.02 0.18 -0.04 2.09 2.27 2ohfA1 GLU 150 HB3 0.01 0.14 0.37 -0.04 1.99 2.46 2ohfA1 GLU 150 HG2 -0.01 -0.06 -0.15 -0.04 2.34 2.08 2ohfA1 GLU 150 HG3 -0.01 -0.03 -0.04 -0.04 2.34 2.22 2ohfA1 GLU 151 H -0.01 0.45 -0.06 -0.55 8.60 8.43 2ohfA1 GLU 151 HA -0.02 -0.01 0.42 -0.75 4.29 3.93 2ohfA1 GLU 151 HB2 -0.04 0.11 0.10 -0.04 2.09 2.22 2ohfA1 GLU 151 HB3 -0.02 -0.03 -0.03 -0.04 1.99 1.86 2ohfA1 GLU 151 HG2 -0.04 -0.04 0.03 -0.04 2.34 2.25 2ohfA1 GLU 151 HG3 -0.06 -0.02 -0.06 -0.04 2.34 2.16 2ohfA1 LEU 152 H -0.02 0.56 -0.17 -0.55 8.37 8.19 2ohfA1 LEU 152 HA 0.01 -0.05 0.26 -0.75 4.35 3.81 2ohfA1 LEU 152 HB2 -0.04 0.16 0.14 -0.04 1.64 1.86 2ohfA1 LEU 152 HB3 -0.01 -0.10 -0.05 -0.04 1.64 1.45 2ohfA1 LEU 152 HG -0.06 0.06 0.08 -0.04 1.64 1.67 2ohfA1 LEU 152 HD13 -0.20 0.00 -0.11 -0.04 0.93 0.59 2ohfA1 LEU 152 HD23 -0.00 -0.03 -0.05 -0.04 0.89 0.77 2ohfA1 GLN 153 H 0.01 0.68 -0.07 -0.55 8.47 8.55 2ohfA1 GLN 153 HA -0.02 -0.02 0.55 -0.75 4.36 4.11 2ohfA1 GLN 153 HB2 -0.00 0.04 0.12 -0.04 2.15 2.27 2ohfA1 GLN 153 HB3 -0.01 0.07 0.15 -0.04 2.02 2.18 2ohfA1 GLN 153 HG2 -0.07 0.02 0.00 -0.04 2.40 2.31 2ohfA1 GLN 153 HG3 -0.07 -0.05 -0.03 -0.04 2.39 2.21 2ohfA1 GLN 153 HE21 -0.18 0.47 -0.03 -0.04 6.97 7.18 2ohfA1 GLN 153 HE22 -0.14 0.12 0.08 -0.04 7.69 7.71 2ohfA1 LEU 154 H -0.01 0.55 -0.14 -0.55 8.37 8.22 2ohfA1 LEU 154 HA -0.02 0.04 0.48 -0.75 4.35 4.10 2ohfA1 LEU 154 HB2 -0.01 0.11 0.20 -0.04 1.64 1.89 2ohfA1 LEU 154 HB3 -0.01 -0.10 0.03 -0.04 1.64 1.52 2ohfA1 LEU 154 HG -0.01 0.22 0.05 -0.04 1.64 1.86 2ohfA1 LEU 154 HD13 -0.01 -0.04 -0.03 -0.04 0.93 0.80 2ohfA1 LEU 154 HD23 -0.02 -0.01 -0.00 -0.04 0.89 0.81 2ohfA1 LYS 155 H 0.00 0.75 0.05 -0.55 8.42 8.67 2ohfA1 LYS 155 HA 0.01 0.00 0.56 -0.75 4.32 4.14 2ohfA1 LYS 155 HB2 0.02 0.00 0.10 -0.04 1.87 1.95 2ohfA1 LYS 155 HB3 0.03 0.08 0.13 -0.04 1.79 1.98 2ohfA1 LYS 155 HG2 0.03 -0.05 -0.00 -0.04 1.46 1.39 2ohfA1 LYS 155 HG3 0.05 0.02 -0.06 -0.04 1.46 1.42 2ohfA1 LYS 155 HD2 0.02 -0.02 0.15 -0.04 1.69 1.80 2ohfA1 LYS 155 HD3 0.02 -0.03 0.05 -0.04 1.68 1.67 2ohfA1 LYS 155 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 2ohfA1 LYS 155 HE3 0.03 0.05 -0.02 -0.04 2.99 3.01 2ohfA1 ASP 156 H 0.01 0.39 -0.36 -0.55 8.40 7.90 2ohfA1 ASP 156 HA 0.10 0.01 0.44 -0.75 4.63 4.42 2ohfA1 ASP 156 HB2 -0.05 0.27 0.28 -0.04 2.71 3.17 2ohfA1 ASP 156 HB3 -0.19 0.00 0.05 -0.04 2.70 2.52 2ohfA1 GLU 157 H -0.05 0.56 0.10 -0.55 8.60 8.67 2ohfA1 GLU 157 HA -0.07 0.03 0.44 -0.75 4.29 3.93 2ohfA1 GLU 157 HB2 -0.04 -0.07 0.07 -0.04 2.09 2.01 2ohfA1 GLU 157 HB3 -0.06 0.21 0.18 -0.04 1.99 2.28 2ohfA1 GLU 157 HG2 -0.03 0.05 0.24 -0.04 2.34 2.55 2ohfA1 GLU 157 HG3 -0.02 0.02 0.06 -0.04 2.34 2.35 2ohfA1 GLU 158 H -0.01 0.44 -0.38 -0.55 8.60 8.10 2ohfA1 GLU 158 HA -0.01 -0.02 0.34 -0.75 4.29 3.85 2ohfA1 GLU 158 HB2 -0.00 0.07 0.15 -0.04 2.09 2.27 2ohfA1 GLU 158 HB3 0.01 0.17 0.14 -0.04 1.99 2.27 2ohfA1 GLU 158 HG2 0.01 -0.01 -0.06 -0.04 2.34 2.23 2ohfA1 GLU 158 HG3 -0.00 -0.07 0.07 -0.04 2.34 2.30 2ohfA1 MET 159 H 0.03 0.40 -0.25 -0.55 8.47 8.11 2ohfA1 MET 159 HA 0.02 0.05 0.76 -0.75 4.52 4.59 2ohfA1 MET 159 HB2 0.12 0.14 0.20 -0.04 2.15 2.57 2ohfA1 MET 159 HB3 0.09 -0.04 0.01 -0.04 2.03 2.04 2ohfA1 MET 159 HG2 0.04 -0.01 0.01 -0.04 2.63 2.63 2ohfA1 MET 159 HG3 0.07 0.01 0.03 -0.04 2.56 2.62 2ohfA1 MET 159 HE3 0.03 0.01 0.01 -0.04 2.10 2.11 2ohfA1 ILE 160 H 0.01 0.56 -0.02 -0.55 8.25 8.25 2ohfA1 ILE 160 HA 0.01 -0.01 0.42 -0.75 4.18 3.85 2ohfA1 ILE 160 HB -0.06 0.14 0.13 -0.04 1.89 2.07 2ohfA1 ILE 160 HG12 -0.23 -0.08 -0.03 -0.04 1.49 1.11 2ohfA1 ILE 160 HG13 -0.09 0.08 0.04 -0.04 1.21 1.20 2ohfA1 ILE 160 HG23 -0.05 -0.03 -0.04 -0.04 0.93 0.77 2ohfA1 ILE 160 HD13 -0.24 -0.04 -0.25 -0.04 0.88 0.32 2ohfA1 GLY 161 H -0.01 0.31 -0.51 -0.55 8.43 7.68 2ohfA1 GLY 161 HA2 -0.01 0.00 0.33 -0.51 4.01 3.82 2ohfA1 GLY 161 HA3 -0.00 0.09 0.31 -0.51 4.01 3.89 2ohfA1 PRO 162 HA 0.01 -0.07 0.46 -0.51 4.44 4.33 2ohfA1 PRO 162 HB2 0.00 0.13 0.00 -0.04 2.28 2.38 2ohfA1 PRO 162 HB3 0.01 -0.04 0.10 -0.04 2.02 2.05 2ohfA1 PRO 162 HG2 0.01 0.09 0.11 -0.04 2.03 2.20 2ohfA1 PRO 162 HG3 0.01 -0.03 0.10 -0.04 2.03 2.07 2ohfA1 PRO 162 HD2 0.00 0.27 0.02 -0.04 3.68 3.94 2ohfA1 PRO 162 HD3 0.00 0.09 0.17 -0.04 3.65 3.87 2ohfA1 ILE 163 H -0.02 0.35 -0.60 -0.55 8.25 7.43 2ohfA1 ILE 163 HA 0.00 -0.00 0.37 -0.75 4.18 3.79 2ohfA1 ILE 163 HB -0.06 0.12 0.06 -0.04 1.89 1.96 2ohfA1 ILE 163 HG12 -0.20 -0.06 -0.03 -0.04 1.49 1.16 2ohfA1 ILE 163 HG13 -0.12 0.10 -0.00 -0.04 1.21 1.15 2ohfA1 ILE 163 HG23 -0.05 -0.02 -0.02 -0.04 0.93 0.80 2ohfA1 ILE 163 HD13 -0.78 -0.01 -0.10 -0.04 0.88 -0.04 2ohfA1 ILE 164 H 0.00 0.68 -0.20 -0.55 8.25 8.19 2ohfA1 ILE 164 HA 0.03 0.07 0.73 -0.75 4.18 4.25 2ohfA1 ILE 164 HB 0.02 0.08 0.22 -0.04 1.89 2.17 2ohfA1 ILE 164 HG12 -0.05 -0.09 -0.03 -0.04 1.49 1.28 2ohfA1 ILE 164 HG13 -0.03 0.03 -0.04 -0.04 1.21 1.13 2ohfA1 ILE 164 HG23 0.06 -0.03 -0.10 -0.04 0.93 0.81 2ohfA1 ILE 164 HD13 -0.02 -0.01 -0.00 -0.04 0.88 0.81 2ohfA1 ASP 165 H 0.03 0.36 0.07 -0.55 8.40 8.31 2ohfA1 ASP 165 HA 0.05 -0.01 0.30 -0.75 4.63 4.21 2ohfA1 ASP 165 HB2 0.02 0.03 0.24 -0.04 2.71 2.96 2ohfA1 ASP 165 HB3 0.02 -0.03 0.03 -0.04 2.70 2.69 2ohfA1 LYS 166 H 0.04 0.69 0.04 -0.55 8.42 8.63 2ohfA1 LYS 166 HA 0.03 -0.03 0.36 -0.75 4.32 3.93 2ohfA1 LYS 166 HB2 0.03 0.00 0.10 -0.04 1.87 1.97 2ohfA1 LYS 166 HB3 0.05 0.06 -0.02 -0.04 1.79 1.84 2ohfA1 LYS 166 HG2 0.04 -0.00 -0.02 -0.04 1.46 1.43 2ohfA1 LYS 166 HG3 0.03 0.00 0.03 -0.04 1.46 1.49 2ohfA1 LYS 166 HD2 0.02 -0.02 0.04 -0.04 1.69 1.69 2ohfA1 LYS 166 HD3 0.02 -0.01 0.01 -0.04 1.68 1.66 2ohfA1 LYS 166 HE2 0.02 0.00 0.01 -0.04 2.99 2.98 2ohfA1 LYS 166 HE3 0.02 -0.00 0.04 -0.04 2.99 3.00 2ohfA1 LEU 167 H 0.09 0.28 -0.59 -0.55 8.37 7.60 2ohfA1 LEU 167 HA 0.09 0.06 0.63 -0.75 4.35 4.38 2ohfA1 LEU 167 HB2 0.19 0.21 0.14 -0.04 1.64 2.14 2ohfA1 LEU 167 HB3 0.34 -0.16 0.08 -0.04 1.64 1.86 2ohfA1 LEU 167 HG 0.09 0.03 0.01 -0.04 1.64 1.73 2ohfA1 LEU 167 HD13 0.09 -0.01 -0.01 -0.04 0.93 0.96 2ohfA1 LEU 167 HD23 0.10 -0.03 -0.03 -0.04 0.89 0.89 2ohfA1 GLU 168 H 0.09 0.52 -0.24 -0.55 8.60 8.43 2ohfA1 GLU 168 HA 0.03 -0.01 0.13 -0.75 4.29 3.68 2ohfA1 GLU 168 HB2 0.04 0.12 0.11 -0.04 2.09 2.32 2ohfA1 GLU 168 HB3 0.02 -0.12 0.04 -0.04 1.99 1.89 2ohfA1 GLU 168 HG2 0.24 0.01 -0.12 -0.04 2.34 2.44 2ohfA1 GLU 168 HG3 0.09 -0.02 -0.28 -0.04 2.34 2.09 2ohfA1 LYS 169 H 0.00 0.20 -0.32 -0.55 8.42 7.75 2ohfA1 LYS 169 HA -0.05 0.08 0.94 -0.75 4.32 4.53 2ohfA1 LYS 169 HB2 -0.01 -0.02 0.05 -0.04 1.87 1.84 2ohfA1 LYS 169 HB3 -0.01 0.03 0.10 -0.04 1.79 1.87 2ohfA1 LYS 169 HG2 -0.02 -0.02 -0.29 -0.04 1.46 1.09 2ohfA1 LYS 169 HG3 -0.03 0.00 -0.02 -0.04 1.46 1.37 2ohfA1 LYS 169 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.61 2ohfA1 LYS 169 HD3 -0.01 -0.01 -0.03 -0.04 1.68 1.59 2ohfA1 LYS 169 HE2 -0.01 -0.00 -0.08 -0.04 2.99 2.86 2ohfA1 LYS 169 HE3 -0.01 0.00 -0.04 -0.04 2.99 2.90 2ohfA1 VAL 170 H -0.10 0.17 0.08 -0.55 8.24 7.84 2ohfA1 VAL 170 HA -0.08 0.14 0.54 -0.75 4.13 3.98 2ohfA1 VAL 170 HB -0.09 -0.06 0.23 -0.04 2.12 2.15 2ohfA1 VAL 170 HG13 -0.06 -0.01 -0.03 -0.04 0.97 0.83 2ohfA1 VAL 170 HG23 -0.29 0.04 0.04 -0.04 0.95 0.70 2ohfA1 ALA 171 H -0.01 0.34 0.22 -0.55 8.40 8.40 2ohfA1 ALA 171 HA -0.01 0.11 0.36 -0.75 4.34 4.04 2ohfA1 ALA 171 HB3 -0.00 0.02 0.07 -0.04 1.41 1.46 2ohfA1 LYS 180 HA 0.04 -0.01 0.49 -0.75 4.32 4.09 2ohfA1 LYS 180 HB2 0.01 0.24 -2.77 -0.04 1.87 -0.69 2ohfA1 LYS 180 HB3 0.02 -0.03 -0.48 -0.04 1.79 1.26 2ohfA1 LYS 180 HG2 0.02 -0.04 -0.31 -0.04 1.46 1.09 2ohfA1 LYS 180 HG3 -0.00 -0.04 -0.10 -0.04 1.46 1.28 2ohfA1 LYS 180 HD2 -0.01 -0.01 -0.19 -0.04 1.69 1.45 2ohfA1 LYS 180 HD3 0.00 0.00 -0.15 -0.04 1.68 1.49 2ohfA1 LYS 180 HE2 0.00 -0.02 -0.08 -0.04 2.99 2.85 2ohfA1 LYS 180 HE3 -0.01 -0.01 -0.08 -0.04 2.99 2.85 2ohfA1 PRO 181 HA 0.07 0.09 0.57 -0.51 4.44 4.66 2ohfA1 PRO 181 HB2 0.04 0.01 -0.03 -0.04 2.28 2.27 2ohfA1 PRO 181 HB3 0.04 0.01 0.10 -0.04 2.02 2.13 2ohfA1 PRO 181 HG2 0.03 0.03 0.07 -0.04 2.03 2.11 2ohfA1 PRO 181 HG3 0.03 0.03 0.04 -0.04 2.03 2.09 2ohfA1 PRO 181 HD2 0.04 0.07 0.22 -0.04 3.68 3.97 2ohfA1 PRO 181 HD3 0.03 0.18 0.17 -0.04 3.65 3.99 2ohfA1 GLU 182 H 0.07 0.28 -0.16 -0.55 8.60 8.24 2ohfA1 GLU 182 HA 0.06 0.03 0.49 -0.75 4.29 4.12 2ohfA1 GLU 182 HB2 0.05 0.02 0.09 -0.04 2.09 2.21 2ohfA1 GLU 182 HB3 0.08 0.07 0.07 -0.04 1.99 2.17 2ohfA1 GLU 182 HG2 0.08 0.01 -0.31 -0.04 2.34 2.09 2ohfA1 GLU 182 HG3 0.07 -0.05 0.01 -0.04 2.34 2.33 2ohfA1 TYR 183 H 0.19 0.26 -0.22 -0.55 8.29 7.97 2ohfA1 TYR 183 HA 0.04 0.06 0.33 -0.75 4.56 4.24 2ohfA1 TYR 183 HB2 0.03 0.09 0.10 -0.04 3.06 3.23 2ohfA1 TYR 183 HB3 0.03 0.09 0.04 -0.04 2.98 3.10 2ohfA1 TYR 183 HD2 0.02 0.02 -0.21 -0.04 7.15 6.95 2ohfA1 TYR 183 HE2 0.02 -0.01 -0.10 -0.04 6.85 6.72 2ohfA1 ASP 184 H 0.15 0.23 -0.50 -0.55 8.40 7.73 2ohfA1 ASP 184 HA 0.10 0.02 0.37 -0.75 4.63 4.37 2ohfA1 ASP 184 HB2 0.07 0.14 0.14 -0.04 2.71 3.02 2ohfA1 ASP 184 HB3 0.07 -0.06 0.03 -0.04 2.70 2.70 2ohfA1 ILE 185 H 0.05 0.41 -0.14 -0.55 8.25 8.02 2ohfA1 ILE 185 HA 0.06 0.04 0.32 -0.75 4.18 3.84 2ohfA1 ILE 185 HB 0.07 0.12 0.11 -0.04 1.89 2.15 2ohfA1 ILE 185 HG12 0.09 -0.01 -0.04 -0.04 1.49 1.48 2ohfA1 ILE 185 HG13 0.07 0.07 0.03 -0.04 1.21 1.34 2ohfA1 ILE 185 HG23 0.14 -0.01 -0.06 -0.04 0.93 0.95 2ohfA1 ILE 185 HD13 0.09 -0.01 -0.10 -0.04 0.88 0.81 2ohfA1 MET 186 H -0.02 0.43 -0.06 -0.55 8.47 8.28 2ohfA1 MET 186 HA 0.04 0.03 0.45 -0.75 4.52 4.29 2ohfA1 MET 186 HB2 -0.14 0.09 0.06 -0.04 2.15 2.11 2ohfA1 MET 186 HB3 -0.07 0.02 -0.08 -0.04 2.03 1.86 2ohfA1 MET 186 HG2 0.05 0.01 -0.04 -0.04 2.63 2.60 2ohfA1 MET 186 HG3 0.03 0.10 -0.05 -0.04 2.56 2.60 2ohfA1 MET 186 HE3 0.07 0.00 -0.03 -0.04 2.10 2.10 2ohfA1 CYS 187 H -0.17 0.40 -0.28 -0.55 8.50 7.91 2ohfA1 CYS 187 HA -0.10 0.04 0.48 -0.75 4.58 4.24 2ohfA1 CYS 187 HB2 -0.08 0.23 0.15 -0.04 2.97 3.23 2ohfA1 CYS 187 HB3 -0.04 -0.04 -0.05 -0.04 2.97 2.80 2ohfA1 LYS 188 H 0.00 0.25 -0.14 -0.55 8.42 7.98 2ohfA1 LYS 188 HA 0.01 -0.00 0.34 -0.75 4.32 3.92 2ohfA1 LYS 188 HB2 0.04 -0.01 0.19 -0.04 1.87 2.05 2ohfA1 LYS 188 HB3 0.09 0.09 0.11 -0.04 1.79 2.04 2ohfA1 LYS 188 HG2 -0.09 0.03 -0.01 -0.04 1.46 1.35 2ohfA1 LYS 188 HG3 -0.01 -0.03 0.04 -0.04 1.46 1.42 2ohfA1 LYS 188 HD2 0.06 -0.04 -0.00 -0.04 1.69 1.66 2ohfA1 LYS 188 HD3 0.11 0.00 -0.00 -0.04 1.68 1.75 2ohfA1 LYS 188 HE2 -0.09 0.05 -0.02 -0.04 2.99 2.89 2ohfA1 LYS 188 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 2ohfA1 VAL 189 H 0.08 0.46 -0.18 -0.55 8.24 8.06 2ohfA1 VAL 189 HA 0.20 0.04 0.37 -0.75 4.13 3.99 2ohfA1 VAL 189 HB 0.06 0.12 0.18 -0.04 2.12 2.44 2ohfA1 VAL 189 HG13 -0.09 -0.00 -0.17 -0.04 0.97 0.66 2ohfA1 VAL 189 HG23 0.21 0.02 0.01 -0.04 0.95 1.15 2ohfA1 LYS 190 H -0.01 0.67 0.01 -0.55 8.42 8.54 2ohfA1 LYS 190 HA -0.06 0.00 0.33 -0.75 4.32 3.84 2ohfA1 LYS 190 HB2 -0.05 0.03 0.10 -0.04 1.87 1.91 2ohfA1 LYS 190 HB3 -0.04 0.03 0.14 -0.04 1.79 1.88 2ohfA1 LYS 190 HG2 -0.04 0.00 -0.16 -0.04 1.46 1.23 2ohfA1 LYS 190 HG3 -0.04 -0.02 -0.05 -0.04 1.46 1.31 2ohfA1 LYS 190 HD2 -0.04 -0.02 -0.05 -0.04 1.69 1.54 2ohfA1 LYS 190 HD3 -0.03 -0.00 -0.13 -0.04 1.68 1.48 2ohfA1 LYS 190 HE2 -0.03 0.01 -0.07 -0.04 2.99 2.86 2ohfA1 LYS 190 HE3 -0.02 0.00 -0.06 -0.04 2.99 2.87 2ohfA1 SER 191 H 0.01 0.90 -0.13 -0.55 8.46 8.69 2ohfA1 SER 191 HA -0.01 -0.03 0.41 -0.75 4.49 4.10 2ohfA1 SER 191 HB2 0.01 -0.06 0.02 -0.04 3.95 3.88 2ohfA1 SER 191 HB3 0.05 0.17 0.11 -0.04 3.93 4.21 2ohfA1 TRP 192 H 0.19 0.49 -0.21 -0.55 7.97 7.89 2ohfA1 TRP 192 HA -0.12 -0.03 0.50 -0.75 4.62 4.22 2ohfA1 TRP 192 HB2 -0.21 -0.05 0.11 -0.04 3.23 3.03 2ohfA1 TRP 192 HB3 -0.07 0.10 0.15 -0.04 3.23 3.37 2ohfA1 TRP 192 HD1 0.03 -0.05 -0.31 -0.04 7.22 6.85 2ohfA1 TRP 192 HE1 0.08 0.29 -0.12 -0.04 10.20 10.41 2ohfA1 TRP 192 HE3 -0.26 -0.03 0.00 -0.04 7.59 7.26 2ohfA1 TRP 192 HZ2 0.11 0.05 -0.24 -0.04 7.44 7.32 2ohfA1 TRP 192 HZ3 -0.13 -0.08 0.01 -0.04 7.13 6.89 2ohfA1 TRP 192 HH2 0.02 -0.04 0.00 -0.04 7.19 7.14 2ohfA1 VAL 193 H 0.04 0.51 -0.04 -0.55 8.24 8.20 2ohfA1 VAL 193 HA -0.21 0.51 0.74 -0.75 4.13 4.42 2ohfA1 VAL 193 HB -0.12 -0.09 0.01 -0.04 2.12 1.88 2ohfA1 VAL 193 HG13 -0.14 -0.03 0.13 -0.04 0.97 0.90 2ohfA1 VAL 193 HG23 -0.03 0.09 -0.04 -0.04 0.95 0.93 2ohfA1 ILE 194 H -0.10 0.27 -0.57 -0.55 8.25 7.30 2ohfA1 ILE 194 HA -0.10 0.10 0.68 -0.75 4.18 4.11 2ohfA1 ILE 194 HB -0.06 -0.15 0.16 -0.04 1.89 1.81 2ohfA1 ILE 194 HG12 -0.05 0.22 0.11 -0.04 1.49 1.73 2ohfA1 ILE 194 HG13 -0.07 -0.05 -0.04 -0.04 1.21 1.01 2ohfA1 ILE 194 HG23 -0.05 0.17 -0.05 -0.04 0.93 0.96 2ohfA1 ILE 194 HD13 -0.03 -0.07 -0.03 -0.04 0.88 0.72 2ohfA1 ASP 195 H -0.26 0.41 -0.81 -0.55 8.40 7.19 2ohfA1 ASP 195 HA -0.17 0.07 0.69 -0.75 4.63 4.46 2ohfA1 ASP 195 HB2 -0.61 0.43 0.28 -0.04 2.71 2.77 2ohfA1 ASP 195 HB3 -0.37 -0.14 0.18 -0.04 2.70 2.34 2ohfA1 LYS 198 HA -0.42 -0.10 0.10 -0.75 4.32 3.14 2ohfA1 LYS 198 HB2 -1.93 0.15 0.17 -0.04 1.87 0.22 2ohfA1 LYS 198 HB3 -0.63 0.03 0.03 -0.04 1.79 1.18 2ohfA1 LYS 198 HG2 -0.41 -0.03 0.06 -0.04 1.46 1.05 2ohfA1 LYS 198 HG3 -0.65 -0.15 0.20 -0.04 1.46 0.82 2ohfA1 LYS 198 HD2 -2.08 0.00 0.08 -0.04 1.69 -0.35 2ohfA1 LYS 198 HD3 -0.68 0.04 0.02 -0.04 1.68 1.02 2ohfA1 LYS 198 HE2 -0.13 0.01 0.04 -0.04 2.99 2.87 2ohfA1 LYS 198 HE3 -0.33 -0.07 0.06 -0.04 2.99 2.61 2ohfA1 PRO 199 HA -0.02 -0.02 0.61 -0.51 4.44 4.50 2ohfA1 PRO 199 HB2 -0.14 -0.07 -0.02 -0.04 2.28 2.00 2ohfA1 PRO 199 HB3 -0.00 0.02 0.16 -0.04 2.02 2.16 2ohfA1 PRO 199 HG2 -1.24 0.07 0.08 -0.04 2.03 0.90 2ohfA1 PRO 199 HG3 -0.23 0.01 0.08 -0.04 2.03 1.85 2ohfA1 PRO 199 HD2 -1.03 0.09 0.18 -0.04 3.68 2.88 2ohfA1 PRO 199 HD3 -0.46 0.13 0.11 -0.04 3.65 3.39 2ohfA1 VAL 200 H 0.18 0.00 0.01 -0.55 8.24 7.88 2ohfA1 VAL 200 HA 0.55 0.09 0.27 -0.75 4.13 4.28 2ohfA1 VAL 200 HB 0.24 0.00 -0.24 -0.04 2.12 2.08 2ohfA1 VAL 200 HG13 0.23 0.01 -0.16 -0.04 0.97 1.02 2ohfA1 VAL 200 HG23 0.16 -0.02 -0.02 -0.04 0.95 1.02 2ohfA1 ARG 201 H 0.33 0.51 0.03 -0.55 8.46 8.77 2ohfA1 ARG 201 HA 0.42 0.07 0.21 -0.75 4.34 4.28 2ohfA1 ARG 201 HB2 0.27 -0.02 0.01 -0.04 1.90 2.12 2ohfA1 ARG 201 HB3 0.25 0.07 0.05 -0.04 1.80 2.14 2ohfA1 ARG 201 HG2 0.43 -0.03 -0.01 -0.04 1.67 2.02 2ohfA1 ARG 201 HG3 0.53 -0.03 -0.25 -0.04 1.67 1.88 2ohfA1 ARG 201 HD2 0.27 -0.10 -0.09 -0.04 3.22 3.25 2ohfA1 ARG 201 HD3 0.22 0.19 -0.31 -0.04 3.22 3.28 2ohfA1 PHE 202 H 0.66 0.24 -0.60 -0.55 8.34 8.08 2ohfA1 PHE 202 HA -0.02 0.04 0.38 -0.75 4.62 4.27 2ohfA1 PHE 202 HB2 0.44 0.24 0.01 -0.04 3.15 3.80 2ohfA1 PHE 202 HB3 0.33 -0.08 0.07 -0.04 3.06 3.34 2ohfA1 PHE 202 HD2 0.16 -0.08 -0.05 -0.04 7.28 7.26 2ohfA1 PHE 202 HE2 0.14 0.00 0.03 -0.04 7.38 7.51 2ohfA1 PHE 202 HZ 0.11 0.11 0.19 -0.04 7.32 7.70 2ohfA1 TYR 203 H 0.27 0.58 -0.31 -0.55 8.29 8.28 2ohfA1 TYR 203 HA -0.58 0.00 0.88 -0.75 4.56 4.11 2ohfA1 TYR 203 HB2 -1.50 0.05 0.10 -0.04 3.06 1.67 2ohfA1 TYR 203 HB3 -1.24 0.06 0.20 -0.04 2.98 1.96 2ohfA1 TYR 203 HD2 -1.90 0.01 0.09 -0.04 7.15 5.31 2ohfA1 TYR 203 HE2 -0.57 -0.09 0.01 -0.04 6.85 6.16 2ohfA1 HIS 204 H -0.37 0.17 0.05 -0.55 8.41 7.71 2ohfA1 HIS 204 HA -0.10 0.21 0.41 -0.75 4.63 4.40 2ohfA1 HIS 204 HB2 -0.16 -0.07 0.03 -0.04 3.26 3.03 2ohfA1 HIS 204 HB3 -0.08 -0.04 0.13 -0.04 3.20 3.17 2ohfA1 HIS 204 HD2 -0.02 -0.06 0.06 -0.04 6.97 6.89 2ohfA1 HIS 204 HE1 -0.02 0.02 -0.03 -0.04 7.75 7.68 2ohfA1 ASP 205 H -1.32 0.09 -0.41 -0.55 8.40 6.21 2ohfA1 ASP 205 HA -0.39 0.13 0.85 -0.75 4.63 4.46 2ohfA1 ASP 205 HB2 -1.30 -0.01 0.04 -0.04 2.71 1.41 2ohfA1 ASP 205 HB3 -0.44 -0.02 0.05 -0.04 2.70 2.25 2ohfA1 TRP 206 H -0.08 0.27 0.15 -0.55 7.97 7.77 2ohfA1 TRP 206 HA -0.09 0.10 0.52 -0.75 4.62 4.40 2ohfA1 TRP 206 HB2 -0.05 0.04 -0.09 -0.04 3.23 3.09 2ohfA1 TRP 206 HB3 -0.02 -0.13 0.11 -0.04 3.23 3.15 2ohfA1 TRP 206 HD1 -0.04 -0.02 -0.18 -0.04 7.22 6.94 2ohfA1 TRP 206 HE1 0.01 0.09 -0.04 -0.04 10.20 10.22 2ohfA1 TRP 206 HE3 0.05 -0.21 0.08 -0.04 7.59 7.47 2ohfA1 TRP 206 HZ2 0.06 0.22 0.02 -0.04 7.44 7.70 2ohfA1 TRP 206 HZ3 0.06 -0.09 -0.01 -0.04 7.13 7.04 2ohfA1 TRP 206 HH2 -0.01 -0.03 -0.00 -0.04 7.19 7.11 2ohfA1 ASN 207 H 0.31 0.14 0.19 -0.55 8.53 8.62 2ohfA1 ASN 207 HA 0.09 0.25 0.48 -0.75 4.76 4.83 2ohfA1 ASN 207 HB2 0.06 0.03 0.22 -0.04 2.88 3.14 2ohfA1 ASN 207 HB3 0.08 0.13 -0.12 -0.04 2.79 2.84 2ohfA1 ASN 207 HD21 0.05 0.04 0.03 -0.04 7.03 7.11 2ohfA1 ASN 207 HD22 0.05 0.11 0.05 -0.04 7.74 7.91 2ohfA1 ASP 208 H 0.05 0.21 0.17 -0.55 8.40 8.27 2ohfA1 ASP 208 HA 0.02 0.17 0.36 -0.75 4.63 4.43 2ohfA1 ASP 208 HB2 0.02 -0.04 0.11 -0.04 2.71 2.76 2ohfA1 ASP 208 HB3 0.02 0.08 0.06 -0.04 2.70 2.81 2ohfA1 LYS 209 H 0.04 0.06 -0.10 -0.55 8.42 7.87 2ohfA1 LYS 209 HA 0.02 0.12 0.41 -0.75 4.32 4.12 2ohfA1 LYS 209 HB2 0.05 -0.06 0.08 -0.04 1.87 1.90 2ohfA1 LYS 209 HB3 0.05 0.07 -0.02 -0.04 1.79 1.84 2ohfA1 LYS 209 HG2 0.03 0.05 0.02 -0.04 1.46 1.52 2ohfA1 LYS 209 HG3 0.03 0.05 0.02 -0.04 1.46 1.52 2ohfA1 LYS 209 HD2 0.02 -0.07 -0.01 -0.04 1.69 1.59 2ohfA1 LYS 209 HD3 0.03 -0.04 0.06 -0.04 1.68 1.70 2ohfA1 LYS 209 HE2 0.02 0.03 0.01 -0.04 2.99 3.01 2ohfA1 LYS 209 HE3 0.02 0.04 0.00 -0.04 2.99 3.00 2ohfA1 GLU 210 H 0.09 -0.03 -0.25 -0.55 8.60 7.87 2ohfA1 GLU 210 HA 0.07 0.07 0.41 -0.75 4.29 4.09 2ohfA1 GLU 210 HB2 0.26 -0.23 0.21 -0.04 2.09 2.29 2ohfA1 GLU 210 HB3 0.30 0.14 0.03 -0.04 1.99 2.42 2ohfA1 GLU 210 HG2 0.27 0.08 0.03 -0.04 2.34 2.67 2ohfA1 GLU 210 HG3 0.16 -0.10 0.01 -0.04 2.34 2.37 2ohfA1 ILE 211 H -0.01 0.70 0.01 -0.55 8.25 8.40 2ohfA1 ILE 211 HA -0.28 0.04 0.36 -0.75 4.18 3.54 2ohfA1 ILE 211 HB -0.12 0.09 0.01 -0.04 1.89 1.84 2ohfA1 ILE 211 HG12 -0.01 0.01 0.20 -0.04 1.49 1.65 2ohfA1 ILE 211 HG13 -0.03 0.03 -0.10 -0.04 1.21 1.07 2ohfA1 ILE 211 HG23 -0.11 0.03 -0.01 -0.04 0.93 0.80 2ohfA1 ILE 211 HD13 0.01 -0.01 -0.09 -0.04 0.88 0.75 2ohfA1 GLU 212 H -0.03 0.48 -0.21 -0.55 8.60 8.29 2ohfA1 GLU 212 HA -0.05 0.04 0.37 -0.75 4.29 3.90 2ohfA1 GLU 212 HB2 -0.01 0.14 0.22 -0.04 2.09 2.40 2ohfA1 GLU 212 HB3 -0.02 -0.03 -0.00 -0.04 1.99 1.89 2ohfA1 GLU 212 HG2 -0.03 -0.00 0.04 -0.04 2.34 2.31 2ohfA1 GLU 212 HG3 -0.01 0.06 0.06 -0.04 2.34 2.40 2ohfA1 VAL 213 H -0.02 0.38 -0.12 -0.55 8.24 7.93 2ohfA1 VAL 213 HA -0.02 0.01 0.33 -0.75 4.13 3.69 2ohfA1 VAL 213 HB 0.03 0.08 0.09 -0.04 2.12 2.28 2ohfA1 VAL 213 HG13 0.10 -0.02 -0.05 -0.04 0.97 0.96 2ohfA1 VAL 213 HG23 0.03 0.08 0.10 -0.04 0.95 1.13 2ohfA1 LEU 214 H -0.10 0.67 -0.02 -0.55 8.37 8.38 2ohfA1 LEU 214 HA 0.00 -0.04 0.42 -0.75 4.35 3.97 2ohfA1 LEU 214 HB2 -0.28 0.10 0.20 -0.04 1.64 1.62 2ohfA1 LEU 214 HB3 -0.23 -0.05 0.02 -0.04 1.64 1.35 2ohfA1 LEU 214 HG -0.30 0.08 0.02 -0.04 1.64 1.40 2ohfA1 LEU 214 HD13 -1.59 -0.02 -0.13 -0.04 0.93 -0.85 2ohfA1 LEU 214 HD23 -0.16 -0.02 0.00 -0.04 0.89 0.67 2ohfA1 ASN 215 H -0.12 0.89 -0.12 -0.55 8.53 8.63 2ohfA1 ASN 215 HA -0.12 -0.06 0.26 -0.75 4.76 4.08 2ohfA1 ASN 215 HB2 -0.08 0.07 0.09 -0.04 2.88 2.92 2ohfA1 ASN 215 HB3 -0.07 -0.04 0.02 -0.04 2.79 2.65 2ohfA1 ASN 215 HD21 -0.06 -0.03 -0.17 -0.04 7.03 6.73 2ohfA1 ASN 215 HD22 -0.05 -0.13 -0.20 -0.04 7.74 7.31 2ohfA1 LYS 216 H -0.15 0.33 -0.45 -0.55 8.42 7.59 2ohfA1 LYS 216 HA -0.22 -0.02 0.49 -0.75 4.32 3.82 2ohfA1 LYS 216 HB2 -0.16 0.03 0.19 -0.04 1.87 1.88 2ohfA1 LYS 216 HB3 -0.46 0.02 0.06 -0.04 1.79 1.37 2ohfA1 LYS 216 HG2 -0.35 -0.02 0.04 -0.04 1.46 1.09 2ohfA1 LYS 216 HG3 -0.17 -0.04 0.04 -0.04 1.46 1.25 2ohfA1 LYS 216 HD2 -0.08 -0.05 -0.01 -0.04 1.69 1.50 2ohfA1 LYS 216 HD3 -0.15 0.01 -0.01 -0.04 1.68 1.49 2ohfA1 LYS 216 HE2 -0.13 0.01 -0.01 -0.04 2.99 2.82 2ohfA1 LYS 216 HE3 -0.06 -0.04 -0.01 -0.04 2.99 2.83 2ohfA1 HIS 217 H -0.28 0.42 -0.13 -0.55 8.41 7.87 2ohfA1 HIS 217 HA -0.25 0.20 0.86 -0.75 4.63 4.69 2ohfA1 HIS 217 HB2 -0.98 0.01 0.05 -0.04 3.26 2.30 2ohfA1 HIS 217 HB3 -0.70 -0.06 0.01 -0.04 3.20 2.41 2ohfA1 HIS 217 HD2 -0.11 0.00 -0.04 -0.04 6.97 6.78 2ohfA1 HIS 217 HE1 -0.01 -0.04 -0.05 -0.04 7.75 7.60 2ohfA1 LEU 218 H -0.25 0.34 0.00 -0.55 8.37 7.92 2ohfA1 LEU 218 HA -0.12 -0.04 0.29 -0.75 4.35 3.73 2ohfA1 LEU 218 HB2 -0.09 0.09 0.01 -0.04 1.64 1.61 2ohfA1 LEU 218 HB3 -0.06 0.03 0.12 -0.04 1.64 1.69 2ohfA1 LEU 218 HG -0.13 0.11 -0.27 -0.04 1.64 1.31 2ohfA1 LEU 218 HD13 -0.06 -0.01 -0.05 -0.04 0.93 0.77 2ohfA1 LEU 218 HD23 -0.08 -0.04 -0.08 -0.04 0.89 0.66 2ohfA1 PHE 219 H -0.18 0.05 -0.08 -0.55 8.34 7.58 2ohfA1 PHE 219 HA 0.02 0.15 0.38 -0.75 4.62 4.42 2ohfA1 PHE 219 HB2 0.03 -0.04 0.03 -0.04 3.15 3.12 2ohfA1 PHE 219 HB3 0.03 -0.11 0.02 -0.04 3.06 2.97 2ohfA1 PHE 219 HD2 0.00 -0.01 0.02 -0.04 7.28 7.24 2ohfA1 PHE 219 HE2 -0.04 -0.00 -0.06 -0.04 7.38 7.24 2ohfA1 PHE 219 HZ -0.09 -0.01 -0.05 -0.04 7.32 7.13 2ohfA1 LEU 220 H 0.19 0.14 0.17 -0.55 8.37 8.33 2ohfA1 LEU 220 HA 0.06 0.19 0.28 -0.75 4.35 4.13 2ohfA1 LEU 220 HB2 0.06 0.06 0.18 -0.04 1.64 1.89 2ohfA1 LEU 220 HB3 0.04 -0.01 0.05 -0.04 1.64 1.67 2ohfA1 LEU 220 HG 0.08 0.02 0.11 -0.04 1.64 1.81 2ohfA1 LEU 220 HD13 0.04 -0.01 0.03 -0.04 0.93 0.95 2ohfA1 LEU 220 HD23 0.03 0.04 -0.04 -0.04 0.89 0.88 2ohfA1 THR 221 H 0.11 0.07 -0.13 -0.55 8.28 7.79 2ohfA1 THR 221 HA 0.09 0.22 0.48 -0.75 4.39 4.42 2ohfA1 THR 221 HB 0.08 -0.08 0.27 -0.04 4.32 4.55 2ohfA1 THR 221 HG23 0.02 0.06 -0.04 -0.04 1.22 1.22 2ohfA1 SER 222 H 0.16 0.48 -0.62 -0.55 8.46 7.93 2ohfA1 SER 222 HA 0.18 -0.01 0.82 -0.75 4.49 4.73 2ohfA1 SER 222 HB2 0.06 -0.01 0.05 -0.04 3.95 4.01 2ohfA1 SER 222 HB3 0.19 -0.17 0.01 -0.04 3.93 3.91 2ohfA1 LYS 223 H 0.08 0.25 -0.12 -0.55 8.42 8.08 2ohfA1 LYS 223 HA 0.04 0.17 0.54 -0.75 4.32 4.32 2ohfA1 LYS 223 HB2 0.03 -0.05 -0.01 -0.04 1.87 1.79 2ohfA1 LYS 223 HB3 0.01 -0.02 -0.15 -0.04 1.79 1.59 2ohfA1 LYS 223 HG2 0.02 -0.02 -0.09 -0.04 1.46 1.33 2ohfA1 LYS 223 HG3 0.05 0.05 0.09 -0.04 1.46 1.60 2ohfA1 LYS 223 HD2 0.01 -0.17 -0.16 -0.04 1.69 1.32 2ohfA1 LYS 223 HD3 -0.00 -0.05 -0.24 -0.04 1.68 1.34 2ohfA1 LYS 223 HE2 0.01 -0.07 -0.12 -0.04 2.99 2.77 2ohfA1 LYS 223 HE3 -0.01 0.11 0.11 -0.04 2.99 3.17 2ohfA1 PRO 224 HA 0.12 0.14 0.69 -0.51 4.44 4.87 2ohfA1 PRO 224 HB2 0.07 -0.05 0.03 -0.04 2.28 2.28 2ohfA1 PRO 224 HB3 0.08 0.07 0.12 -0.04 2.02 2.24 2ohfA1 PRO 224 HG2 0.00 -0.16 -0.00 -0.04 2.03 1.83 2ohfA1 PRO 224 HG3 0.01 0.28 0.13 -0.04 2.03 2.41 2ohfA1 PRO 224 HD2 0.00 0.17 0.41 -0.04 3.68 4.22 2ohfA1 PRO 224 HD3 0.03 0.19 0.28 -0.04 3.65 4.11 2ohfA1 MET 225 H 0.12 0.25 0.21 -0.55 8.47 8.51 2ohfA1 MET 225 HA 0.02 0.28 1.04 -0.75 4.52 5.10 2ohfA1 MET 225 HB2 0.03 0.08 -0.18 -0.04 2.15 2.04 2ohfA1 MET 225 HB3 0.11 -0.00 0.04 -0.04 2.03 2.14 2ohfA1 MET 225 HG2 -0.39 -0.05 -0.20 -0.04 2.63 1.95 2ohfA1 MET 225 HG3 -0.11 0.01 0.04 -0.04 2.56 2.46 2ohfA1 MET 225 HE3 -0.37 0.00 -0.10 -0.04 2.10 1.59 2ohfA1 VAL 226 H 0.07 0.64 0.42 -0.55 8.24 8.82 2ohfA1 VAL 226 HA 0.22 0.16 0.92 -0.75 4.13 4.66 2ohfA1 VAL 226 HB 0.36 -0.06 0.07 -0.04 2.12 2.45 2ohfA1 VAL 226 HG13 0.23 -0.01 -0.24 -0.04 0.97 0.90 2ohfA1 VAL 226 HG23 0.16 0.01 -0.19 -0.04 0.95 0.90 2ohfA1 TYR 227 H 0.45 0.62 0.26 -0.55 8.29 9.08 2ohfA1 TYR 227 HA 0.09 0.23 0.64 -0.75 4.56 4.76 2ohfA1 TYR 227 HB2 0.09 0.05 0.25 -0.04 3.06 3.41 2ohfA1 TYR 227 HB3 0.02 -0.08 -0.03 -0.04 2.98 2.85 2ohfA1 TYR 227 HD2 0.02 0.08 -0.04 -0.04 7.15 7.18 2ohfA1 TYR 227 HE2 0.29 0.03 -0.06 -0.04 6.85 7.06 2ohfA1 LEU 228 H 0.05 0.68 0.18 -0.55 8.37 8.73 2ohfA1 LEU 228 HA 0.04 0.35 0.92 -0.75 4.35 4.91 2ohfA1 LEU 228 HB2 -0.19 0.05 -0.14 -0.04 1.64 1.31 2ohfA1 LEU 228 HB3 -0.10 -0.13 -0.10 -0.04 1.64 1.26 2ohfA1 LEU 228 HG -0.41 0.04 -0.12 -0.04 1.64 1.11 2ohfA1 LEU 228 HD13 -0.15 0.10 -0.46 -0.04 0.93 0.37 2ohfA1 LEU 228 HD23 -1.25 -0.03 -0.18 -0.04 0.89 -0.61 2ohfA1 VAL 229 H 0.10 0.43 0.04 -0.55 8.24 8.26 2ohfA1 VAL 229 HA -0.03 0.26 0.76 -0.75 4.13 4.37 2ohfA1 VAL 229 HB 0.01 -0.09 0.05 -0.04 2.12 2.05 2ohfA1 VAL 229 HG13 -0.01 -0.02 -0.26 -0.04 0.97 0.64 2ohfA1 VAL 229 HG23 0.04 0.02 -0.26 -0.04 0.95 0.71 2ohfA1 ASN 230 H -0.16 1.09 0.48 -0.55 8.53 9.39 2ohfA1 ASN 230 HA -1.10 0.14 0.67 -0.75 4.76 3.72 2ohfA1 ASN 230 HB2 -0.25 0.06 0.12 -0.04 2.88 2.76 2ohfA1 ASN 230 HB3 -0.20 -0.04 0.15 -0.04 2.79 2.65 2ohfA1 ASN 230 HD21 -0.06 -0.18 0.00 -0.04 7.03 6.75 2ohfA1 ASN 230 HD22 -0.07 0.41 0.01 -0.04 7.74 8.05 2ohfA1 LEU 231 H -0.42 0.21 0.52 -0.55 8.37 8.14 2ohfA1 LEU 231 HA -0.06 0.14 0.89 -0.75 4.35 4.57 2ohfA1 LEU 231 HB2 -0.12 0.05 -0.09 -0.04 1.64 1.44 2ohfA1 LEU 231 HB3 0.01 -0.07 0.00 -0.04 1.64 1.53 2ohfA1 LEU 231 HG -0.12 0.27 -0.20 -0.04 1.64 1.56 2ohfA1 LEU 231 HD13 0.03 -0.03 -0.20 -0.04 0.93 0.69 2ohfA1 LEU 231 HD23 0.05 -0.00 -0.13 -0.04 0.89 0.76 2ohfA1 SER 232 H 0.02 0.16 0.19 -0.55 8.46 8.29 2ohfA1 SER 232 HA 0.01 0.08 0.68 -0.75 4.49 4.51 2ohfA1 SER 232 HB2 0.04 -0.03 0.12 -0.04 3.95 4.04 2ohfA1 SER 232 HB3 0.04 0.15 0.18 -0.04 3.93 4.25 2ohfA1 GLU 233 H 0.04 0.17 0.19 -0.55 8.60 8.45 2ohfA1 GLU 233 HA 0.11 0.05 0.46 -0.75 4.29 4.16 2ohfA1 GLU 233 HB2 0.07 -0.04 0.17 -0.04 2.09 2.25 2ohfA1 GLU 233 HB3 0.07 0.00 0.11 -0.04 1.99 2.13 2ohfA1 GLU 233 HG2 0.11 0.07 -0.10 -0.04 2.34 2.38 2ohfA1 GLU 233 HG3 0.13 0.01 0.05 -0.04 2.34 2.49 2ohfA1 LYS 234 H 0.05 0.03 -0.30 -0.55 8.42 7.65 2ohfA1 LYS 234 HA 0.03 0.13 0.25 -0.75 4.32 3.98 2ohfA1 LYS 234 HB2 0.02 0.10 -0.02 -0.04 1.87 1.93 2ohfA1 LYS 234 HB3 0.03 0.04 0.06 -0.04 1.79 1.87 2ohfA1 LYS 234 HG2 0.04 -0.14 0.03 -0.04 1.46 1.35 2ohfA1 LYS 234 HG3 0.04 -0.02 0.01 -0.04 1.46 1.45 2ohfA1 LYS 234 HD2 0.02 0.07 -0.01 -0.04 1.69 1.73 2ohfA1 LYS 234 HD3 0.02 0.04 0.01 -0.04 1.68 1.72 2ohfA1 LYS 234 HE2 0.03 -0.05 0.04 -0.04 2.99 2.98 2ohfA1 LYS 234 HE3 0.04 -0.03 0.04 -0.04 2.99 2.99 2ohfA1 ASP 235 H 0.06 0.11 -0.13 -0.55 8.40 7.90 2ohfA1 ASP 235 HA 0.05 0.16 0.32 -0.75 4.63 4.41 2ohfA1 ASP 235 HB2 0.07 -0.07 0.10 -0.04 2.71 2.77 2ohfA1 ASP 235 HB3 0.07 0.02 -0.12 -0.04 2.70 2.63 2ohfA1 TYR 236 H 0.17 0.28 -0.21 -0.55 8.29 7.99 2ohfA1 TYR 236 HA 0.03 0.07 0.40 -0.75 4.56 4.30 2ohfA1 TYR 236 HB2 0.01 -0.08 -0.10 -0.04 3.06 2.85 2ohfA1 TYR 236 HB3 0.03 0.05 0.05 -0.04 2.98 3.07 2ohfA1 TYR 236 HD2 0.06 -0.06 -0.01 -0.04 7.15 7.10 2ohfA1 TYR 236 HE2 0.08 0.03 0.01 -0.04 6.85 6.92 2ohfA1 ILE 237 H 0.05 0.35 -0.15 -0.55 8.25 7.95 2ohfA1 ILE 237 HA -0.22 0.06 0.15 -0.75 4.18 3.42 2ohfA1 ILE 237 HB -0.01 -0.00 0.11 -0.04 1.89 1.95 2ohfA1 ILE 237 HG12 -0.11 0.03 -0.06 -0.04 1.49 1.31 2ohfA1 ILE 237 HG13 -0.04 -0.01 0.06 -0.04 1.21 1.18 2ohfA1 ILE 237 HG23 -0.06 0.00 -0.18 -0.04 0.93 0.65 2ohfA1 ILE 237 HD13 0.03 -0.04 -0.10 -0.04 0.88 0.73 2ohfA1 ARG 238 H 0.01 0.58 -0.04 -0.55 8.46 8.46 2ohfA1 ARG 238 HA -0.01 0.13 0.55 -0.75 4.34 4.25 2ohfA1 ARG 238 HB2 -0.00 -0.07 0.07 -0.04 1.90 1.86 2ohfA1 ARG 238 HB3 0.01 -0.02 0.03 -0.04 1.80 1.78 2ohfA1 ARG 238 HG2 -0.00 -0.08 0.00 -0.04 1.67 1.55 2ohfA1 ARG 238 HG3 0.00 0.02 0.04 -0.04 1.67 1.70 2ohfA1 ARG 238 HD2 -0.01 -0.01 0.04 -0.04 3.22 3.21 2ohfA1 ARG 238 HD3 -0.01 0.08 0.07 -0.04 3.22 3.32 2ohfA1 LYS 239 H 0.05 0.29 -0.54 -0.55 8.42 7.66 2ohfA1 LYS 239 HA 0.09 0.01 0.33 -0.75 4.32 3.99 2ohfA1 LYS 239 HB2 0.03 0.15 -0.23 -0.04 1.87 1.78 2ohfA1 LYS 239 HB3 0.03 0.06 -0.11 -0.04 1.79 1.73 2ohfA1 LYS 239 HG2 0.05 -0.08 0.08 -0.04 1.46 1.47 2ohfA1 LYS 239 HG3 0.09 -0.02 0.04 -0.04 1.46 1.53 2ohfA1 LYS 239 HD2 0.05 -0.01 0.01 -0.04 1.69 1.71 2ohfA1 LYS 239 HD3 0.03 0.05 -0.00 -0.04 1.68 1.71 2ohfA1 LYS 239 HE2 0.03 -0.02 0.04 -0.04 2.99 3.00 2ohfA1 LYS 239 HE3 0.04 -0.03 0.02 -0.04 2.99 2.98 2ohfA1 LYS 240 H 0.04 0.25 -0.05 -0.55 8.42 8.11 2ohfA1 LYS 240 HA 0.03 0.02 0.23 -0.75 4.32 3.84 2ohfA1 LYS 240 HB2 -0.01 -0.12 0.01 -0.04 1.87 1.72 2ohfA1 LYS 240 HB3 0.01 0.25 0.27 -0.04 1.79 2.28 2ohfA1 LYS 240 HG2 0.01 0.24 -0.37 -0.04 1.46 1.30 2ohfA1 LYS 240 HG3 -0.00 -0.14 -0.05 -0.04 1.46 1.22 2ohfA1 LYS 240 HD2 -0.01 -0.08 -0.05 -0.04 1.69 1.52 2ohfA1 LYS 240 HD3 -0.01 -0.05 -0.03 -0.04 1.68 1.54 2ohfA1 LYS 240 HE2 -0.00 -0.05 -0.00 -0.04 2.99 2.89 2ohfA1 LYS 240 HE3 0.00 0.21 -0.03 -0.04 2.99 3.13 2ohfA1 ASN 241 H 0.01 0.29 -0.01 -0.55 8.53 8.28 2ohfA1 ASN 241 HA -0.02 0.11 0.79 -0.75 4.76 4.89 2ohfA1 ASN 241 HB2 0.06 0.13 -0.26 -0.04 2.88 2.77 2ohfA1 ASN 241 HB3 0.07 0.01 0.00 -0.04 2.79 2.84 2ohfA1 ASN 241 HD21 0.26 -0.07 0.05 -0.04 7.03 7.23 2ohfA1 ASN 241 HD22 0.10 0.05 0.04 -0.04 7.74 7.88 2ohfA1 LYS 242 H -0.18 0.22 0.12 -0.55 8.42 8.04 2ohfA1 LYS 242 HA -0.15 0.12 0.37 -0.75 4.32 3.91 2ohfA1 LYS 242 HB2 -0.38 0.07 0.16 -0.04 1.87 1.67 2ohfA1 LYS 242 HB3 -0.84 -0.09 0.17 -0.04 1.79 0.99 2ohfA1 LYS 242 HG2 -0.48 -0.00 -0.20 -0.04 1.46 0.74 2ohfA1 LYS 242 HG3 -0.30 0.06 0.04 -0.04 1.46 1.22 2ohfA1 LYS 242 HD2 -0.53 0.03 0.03 -0.04 1.69 1.18 2ohfA1 LYS 242 HD3 -1.49 -0.05 0.02 -0.04 1.68 0.12 2ohfA1 LYS 242 HE2 -0.27 0.00 -0.02 -0.04 2.99 2.65 2ohfA1 LYS 242 HE3 -0.21 0.04 0.00 -0.04 2.99 2.79 2ohfA1 TRP 243 H 0.01 0.04 -0.26 -0.55 7.97 7.21 2ohfA1 TRP 243 HA -0.01 0.10 0.17 -0.75 4.62 4.13 2ohfA1 TRP 243 HB2 -0.02 -0.04 0.07 -0.04 3.23 3.19 2ohfA1 TRP 243 HB3 -0.03 0.09 -0.05 -0.04 3.23 3.20 2ohfA1 TRP 243 HD1 -0.02 0.04 0.02 -0.04 7.22 7.22 2ohfA1 TRP 243 HE1 -0.02 0.02 0.04 -0.04 10.20 10.20 2ohfA1 TRP 243 HE3 -0.03 -0.05 0.10 -0.04 7.59 7.57 2ohfA1 TRP 243 HZ2 -0.02 0.03 -0.07 -0.04 7.44 7.34 2ohfA1 TRP 243 HZ3 -0.02 -0.07 0.08 -0.04 7.13 7.08 2ohfA1 TRP 243 HH2 -0.02 0.05 0.01 -0.04 7.19 7.19 2ohfA1 LEU 244 H 0.16 0.13 -0.13 -0.55 8.37 7.98 2ohfA1 LEU 244 HA 0.10 0.06 0.30 -0.75 4.35 4.05 2ohfA1 LEU 244 HB2 0.08 -0.05 0.02 -0.04 1.64 1.65 2ohfA1 LEU 244 HB3 0.07 0.06 0.05 -0.04 1.64 1.78 2ohfA1 LEU 244 HG 0.06 0.05 -0.20 -0.04 1.64 1.51 2ohfA1 LEU 244 HD13 0.06 -0.01 -0.03 -0.04 0.93 0.91 2ohfA1 LEU 244 HD23 0.06 0.01 -0.07 -0.04 0.89 0.85 2ohfA1 ILE 245 H 0.05 0.33 -0.28 -0.55 8.25 7.80 2ohfA1 ILE 245 HA 0.04 0.09 0.45 -0.75 4.18 4.01 2ohfA1 ILE 245 HB 0.01 0.17 0.16 -0.04 1.89 2.20 2ohfA1 ILE 245 HG12 0.02 0.03 0.00 -0.04 1.49 1.51 2ohfA1 ILE 245 HG13 0.02 -0.02 -0.00 -0.04 1.21 1.16 2ohfA1 ILE 245 HG23 0.02 -0.00 -0.10 -0.04 0.93 0.81 2ohfA1 ILE 245 HD13 -0.01 -0.00 -0.02 -0.04 0.88 0.81 2ohfA1 LYS 246 H 0.09 0.27 -0.05 -0.55 8.42 8.17 2ohfA1 LYS 246 HA 0.11 0.06 0.36 -0.75 4.32 4.09 2ohfA1 LYS 246 HB2 0.18 -0.00 0.13 -0.04 1.87 2.13 2ohfA1 LYS 246 HB3 0.15 0.01 0.05 -0.04 1.79 1.95 2ohfA1 LYS 246 HG2 0.07 0.02 0.01 -0.04 1.46 1.51 2ohfA1 LYS 246 HG3 0.04 0.07 0.06 -0.04 1.46 1.59 2ohfA1 LYS 246 HD2 0.07 -0.06 -0.02 -0.04 1.69 1.65 2ohfA1 LYS 246 HD3 0.08 0.03 0.00 -0.04 1.68 1.75 2ohfA1 LYS 246 HE2 0.01 0.03 -0.00 -0.04 2.99 2.99 2ohfA1 LYS 246 HE3 -0.05 -0.02 0.00 -0.04 2.99 2.89 2ohfA1 ILE 247 H 0.13 0.83 -0.03 -0.55 8.25 8.62 2ohfA1 ILE 247 HA 0.10 0.02 0.40 -0.75 4.18 3.95 2ohfA1 ILE 247 HB 0.06 0.01 0.05 -0.04 1.89 1.97 2ohfA1 ILE 247 HG12 -0.06 0.05 -0.13 -0.04 1.49 1.31 2ohfA1 ILE 247 HG13 0.07 -0.03 -0.08 -0.04 1.21 1.13 2ohfA1 ILE 247 HG23 -0.03 0.01 -0.22 -0.04 0.93 0.65 2ohfA1 ILE 247 HD13 0.04 -0.05 -0.34 -0.04 0.88 0.49 2ohfA1 LYS 248 H 0.07 0.60 -0.14 -0.55 8.42 8.39 2ohfA1 LYS 248 HA 0.04 0.02 0.41 -0.75 4.32 4.03 2ohfA1 LYS 248 HB2 0.05 0.13 0.20 -0.04 1.87 2.21 2ohfA1 LYS 248 HB3 0.04 -0.03 -0.03 -0.04 1.79 1.73 2ohfA1 LYS 248 HG2 0.04 -0.04 0.02 -0.04 1.46 1.44 2ohfA1 LYS 248 HG3 0.05 0.07 0.05 -0.04 1.46 1.59 2ohfA1 LYS 248 HD2 0.03 -0.01 -0.00 -0.04 1.69 1.67 2ohfA1 LYS 248 HD3 0.04 0.03 0.02 -0.04 1.68 1.73 2ohfA1 LYS 248 HE2 0.05 -0.04 -0.06 -0.04 2.99 2.90 2ohfA1 LYS 248 HE3 0.04 -0.03 -0.06 -0.04 2.99 2.90 2ohfA1 GLU 249 H 0.09 0.62 -0.12 -0.55 8.60 8.65 2ohfA1 GLU 249 HA 0.04 0.00 0.47 -0.75 4.29 4.04 2ohfA1 GLU 249 HB2 0.11 0.01 0.23 -0.04 2.09 2.40 2ohfA1 GLU 249 HB3 0.11 -0.02 -0.02 -0.04 1.99 2.02 2ohfA1 GLU 249 HG2 0.03 -0.01 0.05 -0.04 2.34 2.37 2ohfA1 GLU 249 HG3 0.05 0.00 -0.01 -0.04 2.34 2.34 2ohfA1 TRP 250 H 0.30 0.60 -0.18 -0.55 7.97 8.15 2ohfA1 TRP 250 HA 0.16 -0.01 0.36 -0.75 4.62 4.38 2ohfA1 TRP 250 HB2 0.09 0.02 0.13 -0.04 3.23 3.42 2ohfA1 TRP 250 HB3 0.03 0.08 0.20 -0.04 3.23 3.50 2ohfA1 TRP 250 HD1 0.15 -0.04 -0.02 -0.04 7.22 7.27 2ohfA1 TRP 250 HE1 -0.36 -0.01 -0.05 -0.04 10.20 9.75 2ohfA1 TRP 250 HE3 -0.02 0.05 -0.25 -0.04 7.59 7.33 2ohfA1 TRP 250 HZ2 -0.31 0.01 -0.08 -0.04 7.44 7.01 2ohfA1 TRP 250 HZ3 0.16 0.05 -0.16 -0.04 7.13 7.14 2ohfA1 TRP 250 HH2 -0.46 0.06 -0.13 -0.04 7.19 6.62 2ohfA1 VAL 251 H 0.28 0.84 0.10 -0.55 8.24 8.91 2ohfA1 VAL 251 HA 0.12 -0.00 0.23 -0.75 4.13 3.72 2ohfA1 VAL 251 HB -0.00 0.02 0.03 -0.04 2.12 2.12 2ohfA1 VAL 251 HG13 -0.03 0.01 -0.19 -0.04 0.97 0.72 2ohfA1 VAL 251 HG23 -0.26 0.06 -0.08 -0.04 0.95 0.63 2ohfA1 ASP 252 H -0.01 0.50 -0.43 -0.55 8.40 7.91 2ohfA1 ASP 252 HA -0.06 -0.03 0.45 -0.75 4.63 4.23 2ohfA1 ASP 252 HB2 -0.05 0.16 0.14 -0.04 2.71 2.92 2ohfA1 ASP 252 HB3 -0.07 -0.08 -0.01 -0.04 2.70 2.51 2ohfA1 LYS 253 H -0.21 0.44 -0.06 -0.55 8.42 8.04 2ohfA1 LYS 253 HA -0.37 -0.01 0.51 -0.75 4.32 3.70 2ohfA1 LYS 253 HB2 -0.68 0.07 0.24 -0.04 1.87 1.45 2ohfA1 LYS 253 HB3 -1.27 -0.08 0.04 -0.04 1.79 0.44 2ohfA1 LYS 253 HG2 -0.25 -0.06 0.05 -0.04 1.46 1.16 2ohfA1 LYS 253 HG3 -0.17 0.25 0.09 -0.04 1.46 1.60 2ohfA1 LYS 253 HD2 -0.06 -0.04 -0.05 -0.04 1.69 1.50 2ohfA1 LYS 253 HD3 -0.25 -0.02 0.00 -0.04 1.68 1.37 2ohfA1 LYS 253 HE2 -0.09 -0.01 0.00 -0.04 2.99 2.86 2ohfA1 LYS 253 HE3 -0.03 -0.01 -0.02 -0.04 2.99 2.89 2ohfA1 TYR 254 H -0.47 0.56 -0.08 -0.55 8.29 7.75 2ohfA1 TYR 254 HA -0.25 0.19 0.75 -0.75 4.56 4.50 2ohfA1 TYR 254 HB2 -1.98 -0.02 -0.09 -0.04 3.06 0.93 2ohfA1 TYR 254 HB3 -0.71 -0.01 0.07 -0.04 2.98 2.29 2ohfA1 TYR 254 HD2 -1.30 0.04 -0.02 -0.04 7.15 5.83 2ohfA1 TYR 254 HE2 -0.19 -0.04 -0.03 -0.04 6.85 6.54 2ohfA1 ASP 255 H -0.14 0.43 -0.17 -0.55 8.40 7.96 2ohfA1 ASP 255 HA -0.13 0.11 0.55 -0.75 4.63 4.40 2ohfA1 ASP 255 HB2 0.31 0.02 -0.30 -0.04 2.71 2.71 2ohfA1 ASP 255 HB3 0.21 -0.10 0.11 -0.04 2.70 2.88 2ohfA1 PRO 256 HA -0.05 0.00 0.37 -0.51 4.44 4.26 2ohfA1 PRO 256 HB2 -0.07 -0.04 0.03 -0.04 2.28 2.17 2ohfA1 PRO 256 HB3 -0.08 0.13 0.16 -0.04 2.02 2.19 2ohfA1 PRO 256 HG2 -0.11 0.01 0.09 -0.04 2.03 1.98 2ohfA1 PRO 256 HG3 -0.10 0.04 0.06 -0.04 2.03 1.99 2ohfA1 PRO 256 HD2 -0.33 0.12 0.00 -0.04 3.68 3.43 2ohfA1 PRO 256 HD3 -0.16 0.16 -0.11 -0.04 3.65 3.50 2ohfA1 GLY 257 H -0.00 0.09 0.16 -0.55 8.43 8.13 2ohfA1 GLY 257 HA2 0.02 -0.07 0.37 -0.51 4.01 3.82 2ohfA1 GLY 257 HA3 0.02 0.15 0.71 -0.51 4.01 4.39 2ohfA1 ALA 258 H 0.08 0.56 -0.24 -0.55 8.40 8.25 2ohfA1 ALA 258 HA 0.21 0.04 0.37 -0.75 4.34 4.20 2ohfA1 ALA 258 HB3 0.36 -0.01 0.08 -0.04 1.41 1.80 2ohfA1 LEU 259 H 0.22 0.17 0.28 -0.55 8.37 8.50 2ohfA1 LEU 259 HA 0.12 0.10 0.72 -0.75 4.35 4.54 2ohfA1 LEU 259 HB2 0.17 0.02 0.22 -0.04 1.64 2.01 2ohfA1 LEU 259 HB3 0.15 -0.04 -0.08 -0.04 1.64 1.62 2ohfA1 LEU 259 HG 0.10 -0.02 0.04 -0.04 1.64 1.71 2ohfA1 LEU 259 HD13 0.09 0.05 0.00 -0.04 0.93 1.03 2ohfA1 LEU 259 HD23 0.11 -0.00 0.01 -0.04 0.89 0.96 2ohfA1 VAL 260 H 0.10 0.23 0.14 -0.55 8.24 8.16 2ohfA1 VAL 260 HA 0.19 0.20 0.88 -0.75 4.13 4.65 2ohfA1 VAL 260 HB 0.06 -0.01 0.10 -0.04 2.12 2.22 2ohfA1 VAL 260 HG13 0.06 -0.03 -0.23 -0.04 0.97 0.73 2ohfA1 VAL 260 HG23 -0.04 0.03 -0.24 -0.04 0.95 0.66 2ohfA1 ILE 261 H 0.11 0.68 0.12 -0.55 8.25 8.61 2ohfA1 ILE 261 HA 0.06 0.21 0.94 -0.75 4.18 4.64 2ohfA1 ILE 261 HB 0.00 -0.04 0.07 -0.04 1.89 1.88 2ohfA1 ILE 261 HG12 0.08 0.05 -0.34 -0.04 1.49 1.24 2ohfA1 ILE 261 HG13 0.10 0.04 -0.32 -0.04 1.21 1.00 2ohfA1 ILE 261 HG23 0.02 0.03 -0.11 -0.04 0.93 0.83 2ohfA1 ILE 261 HD13 0.08 -0.00 -0.13 -0.04 0.88 0.79 2ohfA1 PRO 262 HA 0.03 0.08 0.78 -0.51 4.44 4.83 2ohfA1 PRO 262 HB2 -0.10 -0.02 -0.05 -0.04 2.28 2.07 2ohfA1 PRO 262 HB3 0.01 -0.05 0.05 -0.04 2.02 1.99 2ohfA1 PRO 262 HG2 -0.03 0.03 0.03 -0.04 2.03 2.02 2ohfA1 PRO 262 HG3 0.05 0.05 0.02 -0.04 2.03 2.11 2ohfA1 PRO 262 HD2 0.04 0.14 0.24 -0.04 3.68 4.06 2ohfA1 PRO 262 HD3 0.05 0.17 0.04 -0.04 3.65 3.87 2ohfA1 PHE 263 H -0.19 0.68 0.33 -0.55 8.34 8.60 2ohfA1 PHE 263 HA -0.71 0.08 0.33 -0.75 4.62 3.56 2ohfA1 PHE 263 HB2 -0.16 -0.13 0.05 -0.04 3.15 2.87 2ohfA1 PHE 263 HB3 -0.20 0.25 -0.30 -0.04 3.06 2.76 2ohfA1 PHE 263 HD2 -0.11 0.03 -0.36 -0.04 7.28 6.80 2ohfA1 PHE 263 HE2 -0.13 0.01 -0.31 -0.04 7.38 6.90 2ohfA1 PHE 263 HZ -0.34 0.01 -0.14 -0.04 7.32 6.81 2ohfA1 SER 264 H 0.02 0.23 0.11 -0.55 8.46 8.27 2ohfA1 SER 264 HA -0.38 0.11 1.10 -0.75 4.49 4.56 2ohfA1 SER 264 HB2 0.02 0.15 -0.27 -0.04 3.95 3.81 2ohfA1 SER 264 HB3 0.17 0.05 0.08 -0.04 3.93 4.20 2ohfA1 GLY 265 H -0.25 0.22 0.12 -0.55 8.43 7.98 2ohfA1 GLY 265 HA2 0.27 0.15 0.28 -0.51 4.01 4.21 2ohfA1 GLY 265 HA3 0.12 0.07 0.26 -0.51 4.01 3.95 2ohfA1 ALA 266 H 0.00 0.10 -0.07 -0.55 8.40 7.89 2ohfA1 ALA 266 HA 0.03 0.13 0.39 -0.75 4.34 4.13 2ohfA1 ALA 266 HB3 0.02 -0.01 0.12 -0.04 1.41 1.50 2ohfA1 LEU 267 H 0.06 0.02 -0.16 -0.55 8.37 7.75 2ohfA1 LEU 267 HA 0.05 0.03 0.25 -0.75 4.35 3.93 2ohfA1 LEU 267 HB2 0.14 -0.10 0.13 -0.04 1.64 1.77 2ohfA1 LEU 267 HB3 0.17 0.07 0.15 -0.04 1.64 1.99 2ohfA1 LEU 267 HG 0.16 0.05 -0.23 -0.04 1.64 1.59 2ohfA1 LEU 267 HD13 0.16 0.00 -0.02 -0.04 0.93 1.03 2ohfA1 LEU 267 HD23 0.25 0.02 -0.02 -0.04 0.89 1.09 2ohfA1 GLU 268 H 0.13 0.54 -0.15 -0.55 8.60 8.57 2ohfA1 GLU 268 HA 0.09 -0.01 0.31 -0.75 4.29 3.93 2ohfA1 GLU 268 HB2 0.16 0.08 0.08 -0.04 2.09 2.37 2ohfA1 GLU 268 HB3 0.10 0.05 0.02 -0.04 1.99 2.12 2ohfA1 GLU 268 HG2 0.23 0.08 0.11 -0.04 2.34 2.72 2ohfA1 GLU 268 HG3 0.26 -0.01 -0.05 -0.04 2.34 2.49 2ohfA1 LEU 269 H 0.05 0.56 -0.23 -0.55 8.37 8.20 2ohfA1 LEU 269 HA 0.02 0.08 0.51 -0.75 4.35 4.21 2ohfA1 LEU 269 HB2 0.05 0.03 0.10 -0.04 1.64 1.78 2ohfA1 LEU 269 HB3 0.02 0.02 0.13 -0.04 1.64 1.77 2ohfA1 LEU 269 HG 0.01 -0.02 -0.09 -0.04 1.64 1.49 2ohfA1 LEU 269 HD13 0.01 -0.00 0.05 -0.04 0.93 0.94 2ohfA1 LEU 269 HD23 0.03 -0.02 -0.03 -0.04 0.89 0.83 2ohfA1 LYS 270 H -0.02 0.47 0.03 -0.55 8.42 8.35 2ohfA1 LYS 270 HA -0.06 0.03 0.59 -0.75 4.32 4.13 2ohfA1 LYS 270 HB2 -0.13 0.12 0.14 -0.04 1.87 1.97 2ohfA1 LYS 270 HB3 -0.23 -0.02 -0.02 -0.04 1.79 1.48 2ohfA1 LYS 270 HG2 -0.05 0.01 0.04 -0.04 1.46 1.42 2ohfA1 LYS 270 HG3 -0.04 -0.05 -0.02 -0.04 1.46 1.31 2ohfA1 LYS 270 HD2 -0.09 -0.02 -0.02 -0.04 1.69 1.51 2ohfA1 LYS 270 HD3 -0.13 0.02 -0.01 -0.04 1.68 1.52 2ohfA1 LYS 270 HE2 -0.02 0.02 -0.01 -0.04 2.99 2.94 2ohfA1 LYS 270 HE3 -0.00 -0.06 -0.02 -0.04 2.99 2.87 2ohfA1 LEU 271 H -0.05 0.43 -0.20 -0.55 8.37 8.00 2ohfA1 LEU 271 HA -0.09 -0.03 0.25 -0.75 4.35 3.73 2ohfA1 LEU 271 HB2 0.01 0.20 0.09 -0.04 1.64 1.90 2ohfA1 LEU 271 HB3 0.00 -0.00 -0.01 -0.04 1.64 1.60 2ohfA1 LEU 271 HG -0.05 0.09 -0.01 -0.04 1.64 1.62 2ohfA1 LEU 271 HD13 0.08 -0.03 -0.12 -0.04 0.93 0.83 2ohfA1 LEU 271 HD23 -0.02 -0.01 -0.07 -0.04 0.89 0.75 2ohfA1 GLN 272 H -0.02 0.20 -0.33 -0.55 8.47 7.78 2ohfA1 GLN 272 HA -0.01 0.06 0.51 -0.75 4.36 4.16 2ohfA1 GLN 272 HB2 -0.01 0.11 0.09 -0.04 2.15 2.30 2ohfA1 GLN 272 HB3 -0.02 -0.05 0.05 -0.04 2.02 1.96 2ohfA1 GLN 272 HG2 0.00 0.18 0.18 -0.04 2.40 2.71 2ohfA1 GLN 272 HG3 -0.01 -0.07 0.04 -0.04 2.39 2.30 2ohfA1 GLN 272 HE21 -0.02 0.11 0.03 -0.04 6.97 7.04 2ohfA1 GLN 272 HE22 -0.02 -0.05 0.08 -0.04 7.69 7.65 2ohfA1 GLU 273 H -0.03 0.30 -0.26 -0.55 8.60 8.07 2ohfA1 GLU 273 HA -0.02 0.05 0.47 -0.75 4.29 4.04 2ohfA1 GLU 273 HB2 -0.04 0.06 0.21 -0.04 2.09 2.28 2ohfA1 GLU 273 HB3 -0.02 -0.10 0.04 -0.04 1.99 1.87 2ohfA1 GLU 273 HG2 -0.01 -0.05 0.02 -0.04 2.34 2.26 2ohfA1 GLU 273 HG3 -0.02 0.14 0.08 -0.04 2.34 2.51 2ohfA1 LEU 274 H -0.05 0.44 -0.01 -0.55 8.37 8.20 2ohfA1 LEU 274 HA -0.02 -0.03 0.32 -0.75 4.35 3.86 2ohfA1 LEU 274 HB2 -0.08 0.11 0.01 -0.04 1.64 1.63 2ohfA1 LEU 274 HB3 -0.02 -0.12 -0.13 -0.04 1.64 1.32 2ohfA1 LEU 274 HG -0.06 0.02 -0.03 -0.04 1.64 1.53 2ohfA1 LEU 274 HD13 -0.16 0.00 -0.13 -0.04 0.93 0.60 2ohfA1 LEU 274 HD23 0.00 -0.04 -0.01 -0.04 0.89 0.81 2ohfA1 SER 275 H -0.00 0.03 0.19 -0.55 8.46 8.14 2ohfA1 SER 275 HA 0.00 0.23 0.46 -0.75 4.49 4.42 2ohfA1 SER 275 HB2 0.01 0.04 0.13 -0.04 3.95 4.09 2ohfA1 SER 275 HB3 0.00 0.13 0.19 -0.04 3.93 4.21 2ohfA1 ALA 276 H 0.01 0.25 0.20 -0.55 8.40 8.31 2ohfA1 ALA 276 HA 0.01 0.13 0.33 -0.75 4.34 4.06 2ohfA1 ALA 276 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 2ohfA1 GLU 277 H 0.01 -0.01 -0.49 -0.55 8.60 7.56 2ohfA1 GLU 277 HA 0.02 0.13 0.58 -0.75 4.29 4.27 2ohfA1 GLU 277 HB2 0.01 0.01 0.08 -0.04 2.09 2.14 2ohfA1 GLU 277 HB3 0.02 -0.07 0.10 -0.04 1.99 1.99 2ohfA1 GLU 277 HG2 0.02 0.00 -0.06 -0.04 2.34 2.26 2ohfA1 GLU 277 HG3 0.02 0.03 0.04 -0.04 2.34 2.38 2ohfA1 GLU 278 H 0.02 0.03 0.06 -0.55 8.60 8.17 2ohfA1 GLU 278 HA 0.04 0.04 0.38 -0.75 4.29 4.00 2ohfA1 GLU 278 HB2 0.02 -0.08 0.17 -0.04 2.09 2.15 2ohfA1 GLU 278 HB3 0.05 0.03 -0.00 -0.04 1.99 2.02 2ohfA1 GLU 278 HG2 0.02 -0.05 0.10 -0.04 2.34 2.38 2ohfA1 GLU 278 HG3 0.02 0.02 0.08 -0.04 2.34 2.41 2ohfA1 ARG 279 H 0.02 0.72 -0.22 -0.55 8.46 8.44 2ohfA1 ARG 279 HA 0.04 -0.03 0.32 -0.75 4.34 3.92 2ohfA1 ARG 279 HB2 0.01 0.13 -0.51 -0.04 1.90 1.49 2ohfA1 ARG 279 HB3 0.03 0.01 -0.14 -0.04 1.80 1.66 2ohfA1 ARG 279 HG2 0.04 -0.04 -0.25 -0.04 1.67 1.38 2ohfA1 ARG 279 HG3 0.02 -0.05 -0.05 -0.04 1.67 1.54 2ohfA1 ARG 279 HD2 0.01 0.19 -0.10 -0.04 3.22 3.27 2ohfA1 ARG 279 HD3 0.02 -0.08 -0.03 -0.04 3.22 3.08 2ohfA1 GLN 280 H 0.04 0.48 -0.31 -0.55 8.47 8.14 2ohfA1 GLN 280 HA 0.05 0.01 0.44 -0.75 4.36 4.11 2ohfA1 GLN 280 HB2 0.03 0.17 0.25 -0.04 2.15 2.56 2ohfA1 GLN 280 HB3 0.03 -0.06 -0.00 -0.04 2.02 1.94 2ohfA1 GLN 280 HG2 0.03 0.10 0.11 -0.04 2.40 2.60 2ohfA1 GLN 280 HG3 0.02 -0.04 0.06 -0.04 2.39 2.39 2ohfA1 GLN 280 HE21 0.03 -0.01 -0.01 -0.04 6.97 6.95 2ohfA1 GLN 280 HE22 0.03 0.01 0.00 -0.04 7.69 7.69 2ohfA1 LYS 281 H 0.05 0.45 -0.11 -0.55 8.42 8.26 2ohfA1 LYS 281 HA 0.03 -0.00 0.47 -0.75 4.32 4.06 2ohfA1 LYS 281 HB2 0.06 0.11 0.23 -0.04 1.87 2.23 2ohfA1 LYS 281 HB3 0.04 -0.06 0.02 -0.04 1.79 1.75 2ohfA1 LYS 281 HG2 0.03 0.05 0.03 -0.04 1.46 1.53 2ohfA1 LYS 281 HG3 0.03 -0.08 -0.02 -0.04 1.46 1.35 2ohfA1 LYS 281 HD2 0.01 -0.02 0.02 -0.04 1.69 1.66 2ohfA1 LYS 281 HD3 0.01 0.01 0.05 -0.04 1.68 1.71 2ohfA1 LYS 281 HE2 0.01 0.02 -0.01 -0.04 2.99 2.96 2ohfA1 LYS 281 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.92 2ohfA1 TYR 282 H 0.17 0.61 -0.20 -0.55 8.29 8.32 2ohfA1 TYR 282 HA 0.00 -0.03 0.46 -0.75 4.56 4.23 2ohfA1 TYR 282 HB2 0.01 -0.01 0.03 -0.04 3.06 3.05 2ohfA1 TYR 282 HB3 0.01 0.15 0.11 -0.04 2.98 3.21 2ohfA1 TYR 282 HD2 0.01 0.04 -0.16 -0.04 7.15 7.00 2ohfA1 TYR 282 HE2 0.01 -0.04 -0.06 -0.04 6.85 6.72 2ohfA1 LEU 283 H 0.14 0.49 -0.01 -0.55 8.37 8.45 2ohfA1 LEU 283 HA 0.06 0.01 0.41 -0.75 4.35 4.08 2ohfA1 LEU 283 HB2 0.07 0.02 0.12 -0.04 1.64 1.80 2ohfA1 LEU 283 HB3 0.04 0.08 0.01 -0.04 1.64 1.74 2ohfA1 LEU 283 HG 0.16 -0.07 -0.06 -0.04 1.64 1.63 2ohfA1 LEU 283 HD13 0.07 -0.01 -0.08 -0.04 0.93 0.87 2ohfA1 LEU 283 HD23 0.07 -0.02 -0.16 -0.04 0.89 0.74 2ohfA1 GLU 284 H 0.02 0.52 -0.21 -0.55 8.60 8.38 2ohfA1 GLU 284 HA -0.01 0.02 0.53 -0.75 4.29 4.08 2ohfA1 GLU 284 HB2 0.00 0.02 0.20 -0.04 2.09 2.27 2ohfA1 GLU 284 HB3 -0.01 -0.07 -0.01 -0.04 1.99 1.87 2ohfA1 GLU 284 HG2 0.01 -0.05 0.01 -0.04 2.34 2.26 2ohfA1 GLU 284 HG3 0.02 0.06 0.04 -0.04 2.34 2.41 2ohfA1 ALA 285 H -0.05 0.49 -0.03 -0.55 8.40 8.27 2ohfA1 ALA 285 HA -0.06 -0.08 0.28 -0.75 4.34 3.72 2ohfA1 ALA 285 HB3 -0.15 -0.01 0.15 -0.04 1.41 1.36 2ohfA1 ASN 286 H -0.22 0.46 -0.05 -0.55 8.53 8.17 2ohfA1 ASN 286 HA -0.11 -0.02 0.57 -0.75 4.76 4.44 2ohfA1 ASN 286 HB2 -0.17 0.01 0.06 -0.04 2.88 2.74 2ohfA1 ASN 286 HB3 -0.13 -0.07 -0.00 -0.04 2.79 2.54 2ohfA1 ASN 286 HD21 -0.98 -0.13 0.05 -0.04 7.03 5.92 2ohfA1 ASN 286 HD22 -0.65 0.76 0.22 -0.04 7.74 8.03 2ohfA1 MET 287 H -0.07 0.04 0.13 -0.55 8.47 8.02 2ohfA1 MET 287 HA -0.04 0.29 0.32 -0.75 4.52 4.33 2ohfA1 MET 287 HB2 -0.04 0.01 0.16 -0.04 2.15 2.25 2ohfA1 MET 287 HB3 -0.04 -0.06 0.25 -0.04 2.03 2.14 2ohfA1 MET 287 HG2 -0.02 -0.04 0.08 -0.04 2.63 2.61 2ohfA1 MET 287 HG3 -0.02 0.07 0.04 -0.04 2.56 2.61 2ohfA1 MET 287 HE3 -0.00 -0.01 0.01 -0.04 2.10 2.05 2ohfA1 THR 288 H -0.05 0.80 0.39 -0.55 8.28 8.88 2ohfA1 THR 288 HA -0.11 0.18 0.87 -0.75 4.39 4.57 2ohfA1 THR 288 HB -0.17 -0.04 -0.39 -0.04 4.32 3.69 2ohfA1 THR 288 HG23 -0.05 0.03 -0.19 -0.04 1.22 0.97 2ohfA1 GLN 289 H -0.12 0.21 0.14 -0.55 8.47 8.14 2ohfA1 GLN 289 HA 0.05 0.16 0.86 -0.75 4.36 4.68 2ohfA1 GLN 289 HB2 0.11 -0.02 -0.06 -0.04 2.15 2.13 2ohfA1 GLN 289 HB3 0.09 0.05 0.04 -0.04 2.02 2.16 2ohfA1 GLN 289 HG2 0.05 -0.02 -0.08 -0.04 2.40 2.31 2ohfA1 GLN 289 HG3 0.02 0.18 -0.59 -0.04 2.39 1.95 2ohfA1 GLN 289 HE21 0.03 -0.00 -0.06 -0.04 6.97 6.90 2ohfA1 GLN 289 HE22 0.02 0.02 -0.11 -0.04 7.69 7.58 2ohfA1 SER 290 H 0.09 0.16 0.13 -0.55 8.46 8.29 2ohfA1 SER 290 HA 0.19 0.03 0.68 -0.75 4.49 4.64 2ohfA1 SER 290 HB2 0.08 0.09 0.13 -0.04 3.95 4.21 2ohfA1 SER 290 HB3 0.08 0.05 0.11 -0.04 3.93 4.12 2ohfA1 ALA 291 H 0.19 0.09 0.18 -0.55 8.40 8.31 2ohfA1 ALA 291 HA 0.13 0.22 0.69 -0.75 4.34 4.63 2ohfA1 ALA 291 HB3 -0.02 0.03 0.10 -0.04 1.41 1.48 2ohfA1 LEU 292 H 0.07 0.04 -0.13 -0.55 8.37 7.79 2ohfA1 LEU 292 HA -0.01 0.06 0.16 -0.75 4.35 3.80 2ohfA1 LEU 292 HB2 0.02 0.03 0.07 -0.04 1.64 1.72 2ohfA1 LEU 292 HB3 -0.01 0.11 -0.07 -0.04 1.64 1.63 2ohfA1 LEU 292 HG 0.05 -0.09 0.00 -0.04 1.64 1.56 2ohfA1 LEU 292 HD13 -0.04 0.04 -0.15 -0.04 0.93 0.74 2ohfA1 LEU 292 HD23 0.00 -0.02 -0.11 -0.04 0.89 0.72 2ohfA1 PRO 293 HA 0.01 0.11 0.37 -0.51 4.44 4.42 2ohfA1 PRO 293 HB2 0.04 0.05 -0.04 -0.04 2.28 2.29 2ohfA1 PRO 293 HB3 0.02 0.04 0.05 -0.04 2.02 2.08 2ohfA1 PRO 293 HG2 0.04 0.07 -0.01 -0.04 2.03 2.09 2ohfA1 PRO 293 HG3 0.02 0.10 0.02 -0.04 2.03 2.12 2ohfA1 PRO 293 HD2 0.06 0.21 -0.37 -0.04 3.68 3.54 2ohfA1 PRO 293 HD3 0.04 0.02 0.01 -0.04 3.65 3.68 2ohfA1 LYS 294 H 0.05 0.22 -0.48 -0.55 8.42 7.65 2ohfA1 LYS 294 HA 0.06 0.04 0.34 -0.75 4.32 4.00 2ohfA1 LYS 294 HB2 0.06 -0.03 0.04 -0.04 1.87 1.90 2ohfA1 LYS 294 HB3 0.05 0.14 0.03 -0.04 1.79 1.98 2ohfA1 LYS 294 HG2 0.06 0.00 -0.00 -0.04 1.46 1.48 2ohfA1 LYS 294 HG3 0.06 -0.03 0.05 -0.04 1.46 1.50 2ohfA1 LYS 294 HD2 0.07 -0.02 0.00 -0.04 1.69 1.70 2ohfA1 LYS 294 HD3 0.07 0.03 -0.00 -0.04 1.68 1.73 2ohfA1 LYS 294 HE2 0.07 0.00 -0.04 -0.04 2.99 2.98 2ohfA1 LYS 294 HE3 0.06 -0.01 -0.00 -0.04 2.99 3.00 2ohfA1 ILE 295 H 0.02 0.40 -0.35 -0.55 8.25 7.77 2ohfA1 ILE 295 HA 0.07 0.09 0.48 -0.75 4.18 4.07 2ohfA1 ILE 295 HB -0.05 0.03 0.07 -0.04 1.89 1.90 2ohfA1 ILE 295 HG12 -0.14 0.02 -0.14 -0.04 1.49 1.19 2ohfA1 ILE 295 HG13 -0.06 0.08 -0.14 -0.04 1.21 1.05 2ohfA1 ILE 295 HG23 -0.27 -0.01 -0.21 -0.04 0.93 0.39 2ohfA1 ILE 295 HD13 -0.38 -0.03 -0.26 -0.04 0.88 0.17 2ohfA1 ILE 296 H 0.07 0.59 0.05 -0.55 8.25 8.41 2ohfA1 ILE 296 HA 0.21 0.04 0.41 -0.75 4.18 4.09 2ohfA1 ILE 296 HB 0.02 0.04 0.15 -0.04 1.89 2.05 2ohfA1 ILE 296 HG12 0.05 -0.02 -0.04 -0.04 1.49 1.44 2ohfA1 ILE 296 HG13 0.02 0.07 -0.03 -0.04 1.21 1.24 2ohfA1 ILE 296 HG23 -0.01 0.03 -0.14 -0.04 0.93 0.77 2ohfA1 ILE 296 HD13 -0.04 0.02 -0.08 -0.04 0.88 0.74 2ohfA1 LYS 297 H 0.07 0.49 -0.16 -0.55 8.42 8.26 2ohfA1 LYS 297 HA 0.09 0.01 0.33 -0.75 4.32 4.00 2ohfA1 LYS 297 HB2 0.07 0.09 0.07 -0.04 1.87 2.06 2ohfA1 LYS 297 HB3 0.07 -0.04 -0.02 -0.04 1.79 1.77 2ohfA1 LYS 297 HG2 0.01 -0.03 0.03 -0.04 1.46 1.43 2ohfA1 LYS 297 HG3 0.02 0.12 0.10 -0.04 1.46 1.67 2ohfA1 LYS 297 HD2 0.04 -0.02 -0.06 -0.04 1.69 1.61 2ohfA1 LYS 297 HD3 0.04 -0.03 -0.01 -0.04 1.68 1.64 2ohfA1 LYS 297 HE2 0.03 -0.01 -0.04 -0.04 2.99 2.92 2ohfA1 LYS 297 HE3 0.04 -0.14 -0.00 -0.04 2.99 2.85 2ohfA1 ALA 298 H 0.14 0.34 -0.38 -0.55 8.40 7.95 2ohfA1 ALA 298 HA 0.13 0.00 0.34 -0.75 4.34 4.05 2ohfA1 ALA 298 HB3 0.17 0.04 0.10 -0.04 1.41 1.68 2ohfA1 GLY 299 H 0.27 0.48 -0.38 -0.55 8.43 8.25 2ohfA1 GLY 299 HA2 -0.06 0.03 0.28 -0.51 4.01 3.75 2ohfA1 GLY 299 HA3 -0.01 0.04 0.22 -0.51 4.01 3.75 2ohfA1 PHE 300 H 0.26 0.55 -0.00 -0.55 8.34 8.60 2ohfA1 PHE 300 HA -0.00 0.01 0.37 -0.75 4.62 4.24 2ohfA1 PHE 300 HB2 0.04 0.10 0.08 -0.04 3.15 3.33 2ohfA1 PHE 300 HB3 0.04 0.05 0.07 -0.04 3.06 3.17 2ohfA1 PHE 300 HD2 0.02 0.04 -0.19 -0.04 7.28 7.11 2ohfA1 PHE 300 HE2 0.09 0.06 -0.21 -0.04 7.38 7.28 2ohfA1 PHE 300 HZ 0.13 -0.05 -0.10 -0.04 7.32 7.27 2ohfA1 ALA 301 H 0.19 0.76 -0.12 -0.55 8.40 8.68 2ohfA1 ALA 301 HA 0.05 0.07 0.34 -0.75 4.34 4.04 2ohfA1 ALA 301 HB3 0.08 -0.01 0.06 -0.04 1.41 1.50 2ohfA1 ALA 302 H 0.04 0.34 -0.53 -0.55 8.40 7.70 2ohfA1 ALA 302 HA 0.03 0.01 0.36 -0.75 4.34 3.98 2ohfA1 ALA 302 HB3 0.02 0.01 0.03 -0.04 1.41 1.42 2ohfA1 LEU 303 H -0.08 0.46 -0.09 -0.55 8.37 8.11 2ohfA1 LEU 303 HA -0.08 0.14 0.48 -0.75 4.35 4.14 2ohfA1 LEU 303 HB2 -0.23 0.05 0.11 -0.04 1.64 1.52 2ohfA1 LEU 303 HB3 -0.18 -0.06 0.05 -0.04 1.64 1.41 2ohfA1 LEU 303 HG -0.13 0.08 -0.13 -0.04 1.64 1.42 2ohfA1 LEU 303 HD13 -0.11 -0.07 -0.27 -0.04 0.93 0.44 2ohfA1 LEU 303 HD23 -0.09 0.02 -0.20 -0.04 0.89 0.58 2ohfA1 GLN 304 H -0.07 0.35 -0.82 -0.55 8.47 7.39 2ohfA1 GLN 304 HA -0.05 0.05 0.30 -0.75 4.36 3.90 2ohfA1 GLN 304 HB2 -0.07 0.21 0.23 -0.04 2.15 2.48 2ohfA1 GLN 304 HB3 -0.05 -0.18 0.24 -0.04 2.02 1.99 2ohfA1 GLN 304 HG2 -0.02 0.18 -0.28 -0.04 2.40 2.24 2ohfA1 GLN 304 HG3 -0.01 -0.00 -0.03 -0.04 2.39 2.31 2ohfA1 GLN 304 HE21 0.03 -0.13 0.06 -0.04 6.97 6.88 2ohfA1 GLN 304 HE22 0.02 0.21 0.09 -0.04 7.69 7.96 2ohfA1 LEU 305 H -0.27 0.29 -0.22 -0.55 8.37 7.63 2ohfA1 LEU 305 HA -0.19 0.22 0.86 -0.75 4.35 4.49 2ohfA1 LEU 305 HB2 -1.16 0.02 0.02 -0.04 1.64 0.47 2ohfA1 LEU 305 HB3 -0.92 -0.08 0.02 -0.04 1.64 0.62 2ohfA1 LEU 305 HG -0.33 0.12 -0.19 -0.04 1.64 1.20 2ohfA1 LEU 305 HD13 -0.42 -0.03 -0.01 -0.04 0.93 0.43 2ohfA1 LEU 305 HD23 -0.17 -0.00 -0.12 -0.04 0.89 0.56 2ohfA1 GLU 306 H -0.01 0.82 0.41 -0.55 8.60 9.28 2ohfA1 GLU 306 HA 0.13 0.03 0.20 -0.75 4.29 3.90 2ohfA1 GLU 306 HB2 -0.16 -0.18 0.18 -0.04 2.09 1.90 2ohfA1 GLU 306 HB3 -0.04 0.20 0.07 -0.04 1.99 2.18 2ohfA1 GLU 306 HG2 -0.00 0.12 -0.33 -0.04 2.34 2.08 2ohfA1 GLU 306 HG3 0.00 -0.05 -0.31 -0.04 2.34 1.95 2ohfA1 TYR 307 H -0.46 0.16 0.18 -0.55 8.29 7.62 2ohfA1 TYR 307 HA 0.07 0.36 0.86 -0.75 4.56 5.10 2ohfA1 TYR 307 HB2 -0.23 -0.01 -0.04 -0.04 3.06 2.74 2ohfA1 TYR 307 HB3 -0.02 0.05 -0.43 -0.04 2.98 2.54 2ohfA1 TYR 307 HD2 -0.29 0.06 -0.29 -0.04 7.15 6.59 2ohfA1 TYR 307 HE2 -0.33 -0.00 -0.12 -0.04 6.85 6.36 2ohfA1 PHE 308 H -0.06 0.50 0.30 -0.55 8.34 8.53 2ohfA1 PHE 308 HA -0.12 -0.01 0.77 -0.75 4.62 4.51 2ohfA1 PHE 308 HB2 0.08 0.12 0.16 -0.04 3.15 3.47 2ohfA1 PHE 308 HB3 0.07 -0.02 -0.09 -0.04 3.06 2.98 2ohfA1 PHE 308 HD2 0.13 0.08 -0.16 -0.04 7.28 7.29 2ohfA1 PHE 308 HE2 0.01 0.03 -0.18 -0.04 7.38 7.21 2ohfA1 PHE 308 HZ -0.26 0.10 -0.18 -0.04 7.32 6.95 2ohfA1 PHE 309 H 0.45 0.71 0.32 -0.55 8.34 9.27 2ohfA1 PHE 309 HA 0.26 0.51 1.17 -0.75 4.62 5.80 2ohfA1 PHE 309 HB2 0.19 -0.01 0.05 -0.04 3.15 3.34 2ohfA1 PHE 309 HB3 0.15 -0.03 -0.08 -0.04 3.06 3.06 2ohfA1 PHE 309 HD2 0.20 0.19 -0.26 -0.04 7.28 7.38 2ohfA1 PHE 309 HE2 0.24 -0.04 -0.10 -0.04 7.38 7.44 2ohfA1 PHE 309 HZ 0.25 -0.11 -0.12 -0.04 7.32 7.30 2ohfA1 THR 310 H 0.46 0.45 0.25 -0.55 8.28 8.90 2ohfA1 THR 310 HA 0.26 0.16 0.72 -0.75 4.39 4.79 2ohfA1 THR 310 HB 0.30 0.01 0.03 -0.04 4.32 4.63 2ohfA1 THR 310 HG23 0.30 0.04 -0.08 -0.04 1.22 1.43 2ohfA1 ALA 311 H 0.06 0.16 0.05 -0.55 8.40 8.13 2ohfA1 ALA 311 HA -0.16 0.30 1.26 -0.75 4.34 4.99 2ohfA1 ALA 311 HB3 -0.42 -0.01 0.03 -0.04 1.41 0.98 2ohfA1 GLY 312 H -0.23 0.68 0.30 -0.55 8.43 8.64 2ohfA1 GLY 312 HA2 0.05 0.07 0.33 -0.51 4.01 3.95 2ohfA1 GLY 312 HA3 0.06 -0.00 0.44 -0.51 4.01 3.99 2ohfA1 PRO 313 HA 0.15 0.30 0.25 -0.51 4.44 4.62 2ohfA1 PRO 313 HB2 0.07 0.03 -0.02 -0.04 2.28 2.32 2ohfA1 PRO 313 HB3 0.09 0.06 0.13 -0.04 2.02 2.26 2ohfA1 PRO 313 HG2 0.08 -0.01 0.06 -0.04 2.03 2.12 2ohfA1 PRO 313 HG3 0.08 0.03 0.08 -0.04 2.03 2.18 2ohfA1 PRO 313 HD2 0.12 0.08 0.23 -0.04 3.68 4.06 2ohfA1 PRO 313 HD3 0.18 0.13 0.19 -0.04 3.65 4.11 2ohfA1 ASP 314 H 0.08 0.00 -0.38 -0.55 8.40 7.56 2ohfA1 ASP 314 HA 0.05 0.09 0.68 -0.75 4.63 4.71 2ohfA1 ASP 314 HB2 0.09 0.01 0.04 -0.04 2.71 2.82 2ohfA1 ASP 314 HB3 0.07 0.01 0.04 -0.04 2.70 2.78 2ohfA1 GLU 315 H 0.05 0.12 -0.03 -0.55 8.60 8.19 2ohfA1 GLU 315 HA 0.03 0.31 0.86 -0.75 4.29 4.74 2ohfA1 GLU 315 HB2 0.07 0.03 -0.25 -0.04 2.09 1.90 2ohfA1 GLU 315 HB3 0.11 -0.12 -0.10 -0.04 1.99 1.84 2ohfA1 GLU 315 HG2 0.13 -0.05 -0.40 -0.04 2.34 1.98 2ohfA1 GLU 315 HG3 0.05 0.22 -0.17 -0.04 2.34 2.40 2ohfA1 VAL 316 H -0.02 0.61 0.37 -0.55 8.24 8.65 2ohfA1 VAL 316 HA -0.02 0.36 0.93 -0.75 4.13 4.65 2ohfA1 VAL 316 HB -0.30 -0.03 0.09 -0.04 2.12 1.83 2ohfA1 VAL 316 HG13 -0.25 -0.03 -0.12 -0.04 0.97 0.53 2ohfA1 VAL 316 HG23 -0.19 -0.00 -0.11 -0.04 0.95 0.60 2ohfA1 ARG 317 H 0.21 0.22 0.18 -0.55 8.46 8.52 2ohfA1 ARG 317 HA 0.14 0.35 1.04 -0.75 4.34 5.11 2ohfA1 ARG 317 HB2 -0.00 -0.01 -0.27 -0.04 1.90 1.57 2ohfA1 ARG 317 HB3 0.15 -0.10 -0.04 -0.04 1.80 1.77 2ohfA1 ARG 317 HG2 -1.45 0.02 -0.43 -0.04 1.67 -0.24 2ohfA1 ARG 317 HG3 -0.47 0.17 0.09 -0.04 1.67 1.42 2ohfA1 ARG 317 HD2 -0.33 -0.03 -0.09 -0.04 3.22 2.72 2ohfA1 ARG 317 HD3 -0.86 -0.07 -0.12 -0.04 3.22 2.13 2ohfA1 ALA 318 H -0.13 0.67 0.35 -0.55 8.40 8.75 2ohfA1 ALA 318 HA -0.17 0.21 0.80 -0.75 4.34 4.42 2ohfA1 ALA 318 HB3 -0.63 -0.03 -0.01 -0.04 1.41 0.69 2ohfA1 TRP 319 H -0.22 0.56 0.27 -0.55 7.97 8.03 2ohfA1 TRP 319 HA -0.20 0.19 0.85 -0.75 4.62 4.71 2ohfA1 TRP 319 HB2 -2.17 -0.10 0.05 -0.04 3.23 0.97 2ohfA1 TRP 319 HB3 -0.46 0.08 -0.08 -0.04 3.23 2.73 2ohfA1 TRP 319 HD1 -0.32 0.04 -0.33 -0.04 7.22 6.58 2ohfA1 TRP 319 HE1 0.08 -0.04 -0.15 -0.04 10.20 10.06 2ohfA1 TRP 319 HE3 -0.01 0.01 -0.11 -0.04 7.59 7.44 2ohfA1 TRP 319 HZ2 0.08 -0.04 -0.10 -0.04 7.44 7.35 2ohfA1 TRP 319 HZ3 0.00 0.27 -0.19 -0.04 7.13 7.17 2ohfA1 TRP 319 HH2 0.03 0.02 -0.04 -0.04 7.19 7.15 2ohfA1 THR 320 H 0.07 0.18 0.08 -0.55 8.28 8.06 2ohfA1 THR 320 HA 0.28 0.09 0.43 -0.75 4.39 4.45 2ohfA1 THR 320 HB 0.12 -0.01 0.12 -0.04 4.32 4.51 2ohfA1 THR 320 HG23 0.10 0.02 -0.07 -0.04 1.22 1.23 2ohfA1 ILE 321 H 0.15 1.02 0.52 -0.55 8.25 9.40 2ohfA1 ILE 321 HA 0.07 0.11 0.72 -0.75 4.18 4.33 2ohfA1 ILE 321 HB 0.09 0.00 0.00 -0.04 1.89 1.95 2ohfA1 ILE 321 HG12 0.38 0.00 -0.21 -0.04 1.49 1.62 2ohfA1 ILE 321 HG13 0.14 0.03 -0.30 -0.04 1.21 1.04 2ohfA1 ILE 321 HG23 0.32 0.00 -0.30 -0.04 0.93 0.91 2ohfA1 ILE 321 HD13 0.11 -0.01 -0.37 -0.04 0.88 0.57 2ohfA1 ARG 322 H -0.03 0.08 0.10 -0.55 8.46 8.06 2ohfA1 ARG 322 HA -0.08 0.36 0.85 -0.75 4.34 4.72 2ohfA1 ARG 322 HB2 -0.10 -0.15 0.04 -0.04 1.90 1.64 2ohfA1 ARG 322 HB3 -0.09 0.18 0.01 -0.04 1.80 1.86 2ohfA1 ARG 322 HG2 -0.15 -0.18 -0.19 -0.04 1.67 1.11 2ohfA1 ARG 322 HG3 -0.24 -0.11 -0.04 -0.04 1.67 1.24 2ohfA1 ARG 322 HD2 -0.13 0.11 -0.05 -0.04 3.22 3.12 2ohfA1 ARG 322 HD3 -0.15 0.17 -0.06 -0.04 3.22 3.14 2ohfA1 LYS 323 H -0.05 0.45 0.15 -0.55 8.42 8.42 2ohfA1 LYS 323 HA -0.03 -0.07 0.34 -0.75 4.32 3.81 2ohfA1 LYS 323 HB2 -0.03 0.07 0.08 -0.04 1.87 1.95 2ohfA1 LYS 323 HB3 -0.02 -0.06 0.04 -0.04 1.79 1.71 2ohfA1 LYS 323 HG2 -0.03 -0.08 -0.02 -0.04 1.46 1.29 2ohfA1 LYS 323 HG3 -0.04 0.24 0.09 -0.04 1.46 1.71 2ohfA1 LYS 323 HD2 -0.01 0.05 0.03 -0.04 1.69 1.72 2ohfA1 LYS 323 HD3 -0.01 -0.09 0.01 -0.04 1.68 1.55 2ohfA1 LYS 323 HE2 -0.01 -0.05 -0.03 -0.04 2.99 2.85 2ohfA1 LYS 323 HE3 -0.01 0.11 0.02 -0.04 2.99 3.07 2ohfA1 GLY 324 H -0.04 0.11 0.15 -0.55 8.43 8.10 2ohfA1 GLY 324 HA2 -0.04 -0.05 0.31 -0.51 4.01 3.72 2ohfA1 GLY 324 HA3 -0.02 0.13 0.52 -0.51 4.01 4.12 2ohfA1 THR 325 H -0.02 0.43 -0.12 -0.55 8.28 8.01 2ohfA1 THR 325 HA -0.01 0.01 0.43 -0.75 4.39 4.07 2ohfA1 THR 325 HB 0.02 -0.04 0.05 -0.04 4.32 4.31 2ohfA1 THR 325 HG23 0.02 -0.00 -0.15 -0.04 1.22 1.05 2ohfA1 LYS 326 H 0.01 0.08 0.23 -0.55 8.42 8.19 2ohfA1 LYS 326 HA -0.02 0.24 0.88 -0.75 4.32 4.66 2ohfA1 LYS 326 HB2 0.04 -0.09 0.10 -0.04 1.87 1.88 2ohfA1 LYS 326 HB3 0.06 0.05 0.02 -0.04 1.79 1.88 2ohfA1 LYS 326 HG2 -0.02 -0.00 -0.29 -0.04 1.46 1.11 2ohfA1 LYS 326 HG3 0.00 0.11 -0.01 -0.04 1.46 1.52 2ohfA1 LYS 326 HD2 0.03 -0.03 0.01 -0.04 1.69 1.66 2ohfA1 LYS 326 HD3 0.04 -0.02 -0.04 -0.04 1.68 1.61 2ohfA1 LYS 326 HE2 -0.00 0.01 -0.08 -0.04 2.99 2.88 2ohfA1 LYS 326 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 2ohfA1 ALA 327 H 0.14 0.50 0.18 -0.55 8.40 8.68 2ohfA1 ALA 327 HA 0.11 -0.02 0.18 -0.75 4.34 3.86 2ohfA1 ALA 327 HB3 0.46 0.01 -0.03 -0.04 1.41 1.81 2ohfA1 PRO 328 HA -0.29 0.11 0.48 -0.51 4.44 4.23 2ohfA1 PRO 328 HB2 0.08 -0.03 0.09 -0.04 2.28 2.38 2ohfA1 PRO 328 HB3 0.21 0.31 0.22 -0.04 2.02 2.72 2ohfA1 PRO 328 HG2 0.14 0.06 0.13 -0.04 2.03 2.33 2ohfA1 PRO 328 HG3 0.34 -0.01 0.12 -0.04 2.03 2.43 2ohfA1 PRO 328 HD2 0.10 -0.00 -0.15 -0.04 3.68 3.58 2ohfA1 PRO 328 HD3 0.22 0.10 0.11 -0.04 3.65 4.04 2ohfA1 GLN 329 H -0.00 0.25 -0.15 -0.55 8.47 8.02 2ohfA1 GLN 329 HA -0.03 0.02 0.42 -0.75 4.36 4.02 2ohfA1 GLN 329 HB2 0.01 0.04 0.13 -0.04 2.15 2.29 2ohfA1 GLN 329 HB3 0.02 0.01 0.05 -0.04 2.02 2.06 2ohfA1 GLN 329 HG2 0.06 0.03 0.03 -0.04 2.40 2.48 2ohfA1 GLN 329 HG3 0.03 -0.02 -0.02 -0.04 2.39 2.34 2ohfA1 GLN 329 HE21 0.05 0.05 0.03 -0.04 6.97 7.06 2ohfA1 GLN 329 HE22 0.05 -0.01 -0.01 -0.04 7.69 7.68 2ohfA1 ALA 330 H -0.06 0.58 -0.20 -0.55 8.40 8.18 2ohfA1 ALA 330 HA 0.07 0.04 0.31 -0.75 4.34 4.00 2ohfA1 ALA 330 HB3 -0.14 0.01 -0.11 -0.04 1.41 1.13 2ohfA1 ALA 331 H -0.67 0.66 -0.21 -0.55 8.40 7.63 2ohfA1 ALA 331 HA -1.26 -0.00 0.24 -0.75 4.34 2.57 2ohfA1 ALA 331 HB3 -1.20 0.01 -0.06 -0.04 1.41 0.12 2ohfA1 GLY 332 H -0.21 0.58 -0.25 -0.55 8.43 8.00 2ohfA1 GLY 332 HA2 -0.14 0.14 0.40 -0.51 4.01 3.89 2ohfA1 GLY 332 HA3 -0.08 0.01 0.25 -0.51 4.01 3.68 2ohfA1 LYS 333 H -0.09 0.47 -0.38 -0.55 8.42 7.88 2ohfA1 LYS 333 HA 0.06 -0.02 0.42 -0.75 4.32 4.02 2ohfA1 LYS 333 HB2 0.01 0.09 0.00 -0.04 1.87 1.93 2ohfA1 LYS 333 HB3 0.41 -0.07 0.02 -0.04 1.79 2.11 2ohfA1 LYS 333 HG2 0.10 0.20 0.10 -0.04 1.46 1.83 2ohfA1 LYS 333 HG3 0.27 -0.00 -0.03 -0.04 1.46 1.66 2ohfA1 LYS 333 HD2 0.13 -0.04 0.02 -0.04 1.69 1.76 2ohfA1 LYS 333 HD3 0.05 -0.05 -0.06 -0.04 1.68 1.59 2ohfA1 LYS 333 HE2 0.08 -0.05 -0.05 -0.04 2.99 2.94 2ohfA1 LYS 333 HE3 0.10 0.18 0.06 -0.04 2.99 3.28 2ohfA1 ILE 334 H -0.34 0.58 -0.36 -0.55 8.25 7.58 2ohfA1 ILE 334 HA -0.12 0.06 0.45 -0.75 4.18 3.82 2ohfA1 ILE 334 HB -0.37 0.17 0.09 -0.04 1.89 1.73 2ohfA1 ILE 334 HG12 -1.69 -0.01 -0.10 -0.04 1.49 -0.36 2ohfA1 ILE 334 HG13 -0.74 0.07 -0.03 -0.04 1.21 0.46 2ohfA1 ILE 334 HG23 -0.04 -0.04 -0.12 -0.04 0.93 0.69 2ohfA1 ILE 334 HD13 -0.01 -0.03 -0.05 -0.04 0.88 0.75 2ohfA1 HIS 335 H -0.51 0.38 -0.04 -0.55 8.41 7.70 2ohfA1 HIS 335 HA -0.30 0.06 0.32 -0.75 4.63 3.95 2ohfA1 HIS 335 HB2 -0.60 0.25 0.02 -0.04 3.26 2.89 2ohfA1 HIS 335 HB3 -1.58 -0.09 -0.03 -0.04 3.20 1.46 2ohfA1 HIS 335 HD2 -0.15 0.09 0.06 -0.04 6.97 6.92 2ohfA1 HIS 335 HE1 -0.08 0.01 0.02 -0.04 7.75 7.66 2ohfA1 THR 336 H -0.48 0.17 0.13 -0.55 8.28 7.55 2ohfA1 THR 336 HA -0.11 0.14 0.53 -0.75 4.39 4.20 2ohfA1 THR 336 HB -0.07 -0.00 0.09 -0.04 4.32 4.30 2ohfA1 THR 336 HG23 -0.13 0.04 0.03 -0.04 1.22 1.12 2ohfA1 ASP 337 H 0.23 0.12 -0.10 -0.55 8.40 8.11 2ohfA1 ASP 337 HA 0.09 0.07 0.47 -0.75 4.63 4.50 2ohfA1 ASP 337 HB2 0.12 0.02 -0.01 -0.04 2.71 2.80 2ohfA1 ASP 337 HB3 0.08 0.01 0.00 -0.04 2.70 2.75 2ohfA1 PHE 338 H 0.08 0.43 -0.67 -0.55 8.34 7.63 2ohfA1 PHE 338 HA -0.08 0.01 0.28 -0.75 4.62 4.08 2ohfA1 PHE 338 HB2 -0.20 0.25 -0.32 -0.04 3.15 2.84 2ohfA1 PHE 338 HB3 -0.20 -0.06 -0.25 -0.04 3.06 2.51 2ohfA1 PHE 338 HD2 -0.37 -0.06 -0.25 -0.04 7.28 6.56 2ohfA1 PHE 338 HE2 -0.40 -0.01 -0.11 -0.04 7.38 6.81 2ohfA1 PHE 338 HZ -0.36 0.00 -0.10 -0.04 7.32 6.82 2ohfA1 GLU 339 H 0.06 0.42 -0.12 -0.55 8.60 8.42 2ohfA1 GLU 339 HA 0.02 0.14 0.49 -0.75 4.29 4.19 2ohfA1 GLU 339 HB2 0.00 0.01 0.10 -0.04 2.09 2.16 2ohfA1 GLU 339 HB3 0.03 0.01 0.08 -0.04 1.99 2.07 2ohfA1 GLU 339 HG2 0.05 0.00 -0.18 -0.04 2.34 2.17 2ohfA1 GLU 339 HG3 0.04 -0.08 -0.11 -0.04 2.34 2.16 2ohfA1 LYS 340 H 0.09 0.15 -0.21 -0.55 8.42 7.90 2ohfA1 LYS 340 HA 0.09 0.15 0.72 -0.75 4.32 4.53 2ohfA1 LYS 340 HB2 0.06 0.01 0.10 -0.04 1.87 1.99 2ohfA1 LYS 340 HB3 0.06 -0.02 -0.02 -0.04 1.79 1.77 2ohfA1 LYS 340 HG2 0.05 0.02 0.01 -0.04 1.46 1.50 2ohfA1 LYS 340 HG3 0.04 -0.03 -0.08 -0.04 1.46 1.36 2ohfA1 LYS 340 HD2 0.03 -0.01 -0.01 -0.04 1.69 1.66 2ohfA1 LYS 340 HD3 0.03 -0.01 -0.01 -0.04 1.68 1.65 2ohfA1 LYS 340 HE2 0.02 0.01 -0.02 -0.04 2.99 2.97 2ohfA1 LYS 340 HE3 0.02 0.00 -0.03 -0.04 2.99 2.94 2ohfA1 GLY 341 H 0.16 0.41 -0.02 -0.55 8.43 8.43 2ohfA1 GLY 341 HA2 0.11 0.01 0.07 -0.51 4.01 3.69 2ohfA1 GLY 341 HA3 0.12 0.01 0.32 -0.51 4.01 3.95 2ohfA1 PHE 342 H 0.27 0.44 -0.49 -0.55 8.34 8.00 2ohfA1 PHE 342 HA 0.11 0.08 0.30 -0.75 4.62 4.35 2ohfA1 PHE 342 HB2 0.16 0.10 -0.06 -0.04 3.15 3.31 2ohfA1 PHE 342 HB3 0.05 0.11 0.01 -0.04 3.06 3.19 2ohfA1 PHE 342 HD2 -0.23 0.08 -0.10 -0.04 7.28 6.99 2ohfA1 PHE 342 HE2 0.02 -0.06 -0.30 -0.04 7.38 7.00 2ohfA1 PHE 342 HZ 0.17 -0.06 -0.37 -0.04 7.32 7.02 2ohfA1 ILE 343 H -0.23 0.31 0.38 -0.55 8.25 8.16 2ohfA1 ILE 343 HA -0.26 0.22 0.89 -0.75 4.18 4.28 2ohfA1 ILE 343 HB -0.13 -0.01 0.05 -0.04 1.89 1.76 2ohfA1 ILE 343 HG12 -0.10 -0.10 -0.17 -0.04 1.49 1.07 2ohfA1 ILE 343 HG13 -0.21 0.04 -0.13 -0.04 1.21 0.87 2ohfA1 ILE 343 HG23 -0.04 0.01 -0.07 -0.04 0.93 0.78 2ohfA1 ILE 343 HD13 -0.08 0.00 -0.13 -0.04 0.88 0.64 2ohfA1 MET 344 H -0.56 0.34 0.19 -0.55 8.47 7.89 2ohfA1 MET 344 HA -0.55 0.06 0.30 -0.75 4.52 3.58 2ohfA1 MET 344 HB2 -0.17 0.19 0.01 -0.04 2.15 2.13 2ohfA1 MET 344 HB3 -0.21 0.10 -0.11 -0.04 2.03 1.77 2ohfA1 MET 344 HG2 -0.14 -0.09 -0.18 -0.04 2.63 2.17 2ohfA1 MET 344 HG3 -0.12 -0.03 -0.36 -0.04 2.56 2.02 2ohfA1 MET 344 HE3 -0.02 -0.01 -0.11 -0.04 2.10 1.92 2ohfA1 ALA 345 H -0.10 0.80 0.28 -0.55 8.40 8.83 2ohfA1 ALA 345 HA 0.06 0.15 1.08 -0.75 4.34 4.88 2ohfA1 ALA 345 HB3 0.16 -0.01 -0.08 -0.04 1.41 1.45 2ohfA1 GLU 346 H -0.11 1.09 0.38 -0.55 8.60 9.41 2ohfA1 GLU 346 HA -0.25 0.18 0.86 -0.75 4.29 4.32 2ohfA1 GLU 346 HB2 0.10 0.07 0.33 -0.04 2.09 2.55 2ohfA1 GLU 346 HB3 -0.21 -0.03 0.03 -0.04 1.99 1.75 2ohfA1 GLU 346 HG2 0.11 0.06 -0.04 -0.04 2.34 2.43 2ohfA1 GLU 346 HG3 0.02 -0.04 -0.09 -0.04 2.34 2.19 2ohfA1 VAL 347 H -0.38 0.71 0.32 -0.55 8.24 8.33 2ohfA1 VAL 347 HA -0.22 0.29 0.82 -0.75 4.13 4.26 2ohfA1 VAL 347 HB -0.29 -0.02 0.06 -0.04 2.12 1.82 2ohfA1 VAL 347 HG13 -0.04 -0.03 -0.21 -0.04 0.97 0.64 2ohfA1 VAL 347 HG23 -0.36 0.03 -0.25 -0.04 0.95 0.33 2ohfA1 MET 348 H -0.09 0.81 0.39 -0.55 8.47 9.04 2ohfA1 MET 348 HA -0.03 0.18 0.88 -0.75 4.52 4.80 2ohfA1 MET 348 HB2 0.03 0.06 0.19 -0.04 2.15 2.38 2ohfA1 MET 348 HB3 0.10 -0.00 -0.11 -0.04 2.03 1.97 2ohfA1 MET 348 HG2 0.25 0.03 -0.04 -0.04 2.63 2.82 2ohfA1 MET 348 HG3 0.17 0.05 -0.14 -0.04 2.56 2.60 2ohfA1 MET 348 HE3 0.00 0.01 -0.06 -0.04 2.10 2.01 2ohfA1 LYS 349 H 0.05 0.21 0.13 -0.55 8.42 8.26 2ohfA1 LYS 349 HA 0.13 0.12 0.49 -0.75 4.32 4.31 2ohfA1 LYS 349 HB2 0.07 -0.07 0.11 -0.04 1.87 1.94 2ohfA1 LYS 349 HB3 0.11 -0.03 0.07 -0.04 1.79 1.90 2ohfA1 LYS 349 HG2 0.05 0.05 0.06 -0.04 1.46 1.57 2ohfA1 LYS 349 HG3 0.06 0.06 0.03 -0.04 1.46 1.57 2ohfA1 LYS 349 HD2 0.11 0.02 -0.03 -0.04 1.69 1.74 2ohfA1 LYS 349 HD3 0.09 -0.03 -0.12 -0.04 1.68 1.58 2ohfA1 LYS 349 HE2 0.08 0.03 -0.03 -0.04 2.99 3.02 2ohfA1 LYS 349 HE3 0.08 0.02 -0.01 -0.04 2.99 3.04 2ohfA1 TYR 350 H 0.29 0.26 0.13 -0.55 8.29 8.42 2ohfA1 TYR 350 HA 0.12 0.11 0.37 -0.75 4.56 4.41 2ohfA1 TYR 350 HB2 0.16 0.18 0.15 -0.04 3.06 3.52 2ohfA1 TYR 350 HB3 0.11 -0.05 0.15 -0.04 2.98 3.15 2ohfA1 TYR 350 HD2 0.02 0.03 -0.08 -0.04 7.15 7.07 2ohfA1 TYR 350 HE2 0.01 0.06 -0.05 -0.04 6.85 6.83 2ohfA1 GLU 351 H 0.17 0.12 -0.14 -0.55 8.60 8.20 2ohfA1 GLU 351 HA -0.10 0.08 0.29 -0.75 4.29 3.81 2ohfA1 GLU 351 HB2 0.04 -0.01 0.01 -0.04 2.09 2.09 2ohfA1 GLU 351 HB3 0.01 0.07 0.02 -0.04 1.99 2.04 2ohfA1 GLU 351 HG2 0.07 0.08 0.02 -0.04 2.34 2.47 2ohfA1 GLU 351 HG3 0.13 0.02 0.04 -0.04 2.34 2.49 2ohfA1 ASP 352 H 0.03 0.18 -0.48 -0.55 8.40 7.58 2ohfA1 ASP 352 HA -0.02 0.06 0.34 -0.75 4.63 4.25 2ohfA1 ASP 352 HB2 0.07 0.09 0.09 -0.04 2.71 2.91 2ohfA1 ASP 352 HB3 0.04 0.03 -0.02 -0.04 2.70 2.71 2ohfA1 PHE 353 H 0.12 0.40 -0.10 -0.55 8.34 8.21 2ohfA1 PHE 353 HA -0.06 -0.02 0.30 -0.75 4.62 4.08 2ohfA1 PHE 353 HB2 -0.01 -0.02 -0.03 -0.04 3.15 3.05 2ohfA1 PHE 353 HB3 -0.13 0.09 0.05 -0.04 3.06 3.03 2ohfA1 PHE 353 HD2 -0.05 -0.02 -0.22 -0.04 7.28 6.94 2ohfA1 PHE 353 HE2 -0.19 -0.10 -0.09 -0.04 7.38 6.96 2ohfA1 PHE 353 HZ -1.81 0.06 -0.09 -0.04 7.32 5.43 2ohfA1 LYS 354 H -0.32 0.51 -0.37 -0.55 8.42 7.69 2ohfA1 LYS 354 HA -0.51 0.06 0.31 -0.75 4.32 3.43 2ohfA1 LYS 354 HB2 -1.04 -0.02 0.00 -0.04 1.87 0.77 2ohfA1 LYS 354 HB3 -0.44 0.03 0.07 -0.04 1.79 1.42 2ohfA1 LYS 354 HG2 -0.38 0.04 -0.15 -0.04 1.46 0.94 2ohfA1 LYS 354 HG3 -1.22 -0.00 -0.02 -0.04 1.46 0.17 2ohfA1 LYS 354 HD2 -0.60 -0.06 -0.07 -0.04 1.69 0.91 2ohfA1 LYS 354 HD3 -0.28 -0.01 -0.06 -0.04 1.68 1.29 2ohfA1 LYS 354 HE2 -0.15 0.02 -0.05 -0.04 2.99 2.77 2ohfA1 LYS 354 HE3 -0.51 0.02 -0.05 -0.04 2.99 2.42 2ohfA1 GLU 355 H -0.19 0.51 0.00 -0.55 8.60 8.38 2ohfA1 GLU 355 HA -0.10 0.02 0.37 -0.75 4.29 3.82 2ohfA1 GLU 355 HB2 -0.08 0.06 0.16 -0.04 2.09 2.19 2ohfA1 GLU 355 HB3 -0.06 -0.09 0.19 -0.04 1.99 1.99 2ohfA1 GLU 355 HG2 -0.05 0.03 -0.09 -0.04 2.34 2.19 2ohfA1 GLU 355 HG3 -0.05 -0.02 0.02 -0.04 2.34 2.25 2ohfA1 GLU 356 H -0.08 0.39 0.05 -0.55 8.60 8.42 2ohfA1 GLU 356 HA -0.05 0.01 0.23 -0.75 4.29 3.72 2ohfA1 GLU 356 HB2 -0.04 0.04 -0.08 -0.04 2.09 1.96 2ohfA1 GLU 356 HB3 -0.03 -0.12 -0.19 -0.04 1.99 1.61 2ohfA1 GLU 356 HG2 -0.02 0.00 0.08 -0.04 2.34 2.36 2ohfA1 GLU 356 HG3 0.01 -0.05 -0.12 -0.04 2.34 2.14 2ohfA1 GLY 357 H -0.23 0.28 -0.81 -0.55 8.43 7.12 2ohfA1 GLY 357 HA2 -0.22 0.15 0.30 -0.51 4.01 3.74 2ohfA1 GLY 357 HA3 -0.10 0.04 0.28 -0.51 4.01 3.71 2ohfA1 SER 358 H -0.15 0.14 -0.39 -0.55 8.46 7.52 2ohfA1 SER 358 HA -0.25 0.14 0.24 -0.75 4.49 3.87 2ohfA1 SER 358 HB2 0.11 -0.09 0.14 -0.04 3.95 4.08 2ohfA1 SER 358 HB3 0.05 0.32 0.08 -0.04 3.93 4.33 2ohfA1 GLU 359 H 0.26 0.25 0.10 -0.55 8.60 8.67 2ohfA1 GLU 359 HA 0.19 0.07 0.34 -0.75 4.29 4.14 2ohfA1 GLU 359 HB2 0.15 0.08 0.13 -0.04 2.09 2.41 2ohfA1 GLU 359 HB3 0.04 -0.04 0.13 -0.04 1.99 2.08 2ohfA1 GLU 359 HG2 -0.19 0.00 -0.14 -0.04 2.34 1.97 2ohfA1 GLU 359 HG3 -0.09 -0.02 -0.01 -0.04 2.34 2.19 2ohfA1 ASN 360 H 0.02 0.15 -0.08 -0.55 8.53 8.08 2ohfA1 ASN 360 HA -0.06 0.06 0.43 -0.75 4.76 4.43 2ohfA1 ASN 360 HB2 -0.01 0.02 0.05 -0.04 2.88 2.90 2ohfA1 ASN 360 HB3 -0.02 0.05 0.02 -0.04 2.79 2.79 2ohfA1 ASN 360 HD21 -0.02 0.03 0.01 -0.04 7.03 7.00 2ohfA1 ASN 360 HD22 -0.01 0.03 0.01 -0.04 7.74 7.72 2ohfA1 ALA 361 H 0.00 0.05 -0.43 -0.55 8.40 7.48 2ohfA1 ALA 361 HA -0.01 0.05 0.40 -0.75 4.34 4.03 2ohfA1 ALA 361 HB3 -0.02 -0.01 0.03 -0.04 1.41 1.36 2ohfA1 VAL 362 H 0.04 0.67 -0.07 -0.55 8.24 8.33 2ohfA1 VAL 362 HA 0.05 0.02 0.28 -0.75 4.13 3.72 2ohfA1 VAL 362 HB 0.16 0.07 0.07 -0.04 2.12 2.39 2ohfA1 VAL 362 HG13 0.20 -0.03 -0.37 -0.04 0.97 0.73 2ohfA1 VAL 362 HG23 0.14 -0.00 -0.25 -0.04 0.95 0.79 2ohfA1 LYS 363 H -0.01 0.84 -0.02 -0.55 8.42 8.68 2ohfA1 LYS 363 HA 0.05 -0.09 0.51 -0.75 4.32 4.03 2ohfA1 LYS 363 HB2 -0.10 0.03 0.18 -0.04 1.87 1.95 2ohfA1 LYS 363 HB3 -0.09 -0.01 0.04 -0.04 1.79 1.69 2ohfA1 LYS 363 HG2 -0.45 0.00 0.03 -0.04 1.46 1.00 2ohfA1 LYS 363 HG3 -0.45 0.05 0.01 -0.04 1.46 1.03 2ohfA1 LYS 363 HD2 -0.26 -0.06 -0.10 -0.04 1.69 1.23 2ohfA1 LYS 363 HD3 -0.26 0.01 -0.02 -0.04 1.68 1.37 2ohfA1 LYS 363 HE2 -0.64 0.02 -0.04 -0.04 2.99 2.29 2ohfA1 LYS 363 HE3 -1.36 -0.00 -0.07 -0.04 2.99 1.52 2ohfA1 ALA 364 H -0.02 0.88 0.02 -0.55 8.40 8.74 2ohfA1 ALA 364 HA -0.01 -0.04 0.25 -0.75 4.34 3.78 2ohfA1 ALA 364 HB3 -0.01 -0.01 0.12 -0.04 1.41 1.47 2ohfA1 ALA 365 H 0.01 0.37 -0.62 -0.55 8.40 7.62 2ohfA1 ALA 365 HA 0.00 0.07 0.55 -0.75 4.34 4.22 2ohfA1 ALA 365 HB3 0.01 -0.01 0.09 -0.04 1.41 1.45 2ohfA1 GLY 366 H 0.02 0.69 -0.13 -0.55 8.43 8.46 2ohfA1 GLY 366 HA2 0.03 0.00 0.32 -0.51 4.01 3.85 2ohfA1 GLY 366 HA3 0.02 0.05 0.41 -0.51 4.01 3.98 2ohfA1 LYS 367 H 0.06 0.48 -0.01 -0.55 8.42 8.39 2ohfA1 LYS 367 HA 0.03 0.19 0.75 -0.75 4.32 4.54 2ohfA1 LYS 367 HB2 0.06 0.10 0.02 -0.04 1.87 2.00 2ohfA1 LYS 367 HB3 0.05 -0.15 0.12 -0.04 1.79 1.77 2ohfA1 LYS 367 HG2 0.02 -0.07 -0.03 -0.04 1.46 1.34 2ohfA1 LYS 367 HG3 0.02 0.15 -0.37 -0.04 1.46 1.23 2ohfA1 LYS 367 HD2 0.02 0.08 -0.07 -0.04 1.69 1.68 2ohfA1 LYS 367 HD3 0.02 -0.12 -0.02 -0.04 1.68 1.52 2ohfA1 LYS 367 HE2 0.01 -0.07 -0.02 -0.04 2.99 2.87 2ohfA1 LYS 367 HE3 0.01 0.10 -0.01 -0.04 2.99 3.05 2ohfA1 TYR 368 H 0.16 0.14 -0.15 -0.55 8.29 7.89 2ohfA1 TYR 368 HA -0.00 0.16 0.66 -0.75 4.56 4.62 2ohfA1 TYR 368 HB2 0.00 -0.07 -0.12 -0.04 3.06 2.83 2ohfA1 TYR 368 HB3 -0.01 0.00 0.14 -0.04 2.98 3.07 2ohfA1 TYR 368 HD2 -0.01 -0.03 -0.08 -0.04 7.15 6.99 2ohfA1 TYR 368 HE2 -0.02 -0.02 -0.09 -0.04 6.85 6.68 2ohfA1 ARG 369 H -0.14 0.38 0.19 -0.55 8.46 8.34 2ohfA1 ARG 369 HA -0.07 0.05 0.20 -0.75 4.34 3.76 2ohfA1 ARG 369 HB2 -0.16 -0.00 0.12 -0.04 1.90 1.82 2ohfA1 ARG 369 HB3 -0.13 -0.05 0.04 -0.04 1.80 1.62 2ohfA1 ARG 369 HG2 -0.04 0.03 -0.04 -0.04 1.67 1.58 2ohfA1 ARG 369 HG3 -0.04 0.10 -0.07 -0.04 1.67 1.61 2ohfA1 ARG 369 HD2 -0.05 -0.05 0.02 -0.04 3.22 3.10 2ohfA1 ARG 369 HD3 -0.03 -0.02 0.00 -0.04 3.22 3.13 2ohfA1 GLN 370 H -0.10 0.16 0.12 -0.55 8.47 8.10 2ohfA1 GLN 370 HA -0.18 0.23 1.10 -0.75 4.36 4.76 2ohfA1 GLN 370 HB2 -0.06 -0.04 0.18 -0.04 2.15 2.19 2ohfA1 GLN 370 HB3 -0.08 0.00 -0.02 -0.04 2.02 1.88 2ohfA1 GLN 370 HG2 -0.06 0.05 -0.13 -0.04 2.40 2.21 2ohfA1 GLN 370 HG3 -0.01 0.11 -0.17 -0.04 2.39 2.28 2ohfA1 GLN 370 HE21 -0.00 -0.02 -0.04 -0.04 6.97 6.87 2ohfA1 GLN 370 HE22 -0.02 -0.02 -0.01 -0.04 7.69 7.60 2ohfA1 GLN 371 H -0.23 0.75 0.33 -0.55 8.47 8.78 2ohfA1 GLN 371 HA -0.17 0.04 0.44 -0.75 4.36 3.92 2ohfA1 GLN 371 HB2 -0.39 0.01 0.08 -0.04 2.15 1.81 2ohfA1 GLN 371 HB3 -0.37 -0.03 0.06 -0.04 2.02 1.64 2ohfA1 GLN 371 HG2 -0.49 -0.01 -0.11 -0.04 2.40 1.75 2ohfA1 GLN 371 HG3 -1.47 -0.00 -0.06 -0.04 2.39 0.81 2ohfA1 GLN 371 HE21 -0.11 0.02 -0.05 -0.04 6.97 6.78 2ohfA1 GLN 371 HE22 -0.40 -0.00 -0.07 -0.04 7.69 7.18 2ohfA1 GLY 372 H -0.05 0.08 0.19 -0.55 8.43 8.11 2ohfA1 GLY 372 HA2 -0.15 0.28 0.80 -0.51 4.01 4.43 2ohfA1 GLY 372 HA3 -0.06 0.02 0.43 -0.51 4.01 3.89 2ohfA1 ARG 373 H -0.07 0.24 0.17 -0.55 8.46 8.25 2ohfA1 ARG 373 HA 0.11 0.07 0.16 -0.75 4.34 3.93 2ohfA1 ARG 373 HB2 -0.00 -0.03 0.12 -0.04 1.90 1.94 2ohfA1 ARG 373 HB3 0.06 0.02 0.12 -0.04 1.80 1.97 2ohfA1 ARG 373 HG2 -0.08 0.03 0.02 -0.04 1.67 1.60 2ohfA1 ARG 373 HG3 -0.19 0.01 0.11 -0.04 1.67 1.56 2ohfA1 ARG 373 HD2 -0.04 0.29 0.16 -0.04 3.22 3.60 2ohfA1 ARG 373 HD3 -0.03 -0.10 0.10 -0.04 3.22 3.15 2ohfA1 ASN 374 H 0.06 0.02 -0.52 -0.55 8.53 7.54 2ohfA1 ASN 374 HA 0.06 0.21 0.70 -0.75 4.76 4.98 2ohfA1 ASN 374 HB2 0.03 -0.02 -0.00 -0.04 2.88 2.85 2ohfA1 ASN 374 HB3 0.04 -0.02 0.01 -0.04 2.79 2.78 2ohfA1 ASN 374 HD21 0.02 0.02 0.04 -0.04 7.03 7.07 2ohfA1 ASN 374 HD22 0.03 -0.03 0.02 -0.04 7.74 7.72 2ohfA1 TYR 375 H 0.20 0.30 -0.22 -0.55 8.29 8.01 2ohfA1 TYR 375 HA 0.01 0.09 0.56 -0.75 4.56 4.46 2ohfA1 TYR 375 HB2 0.00 -0.09 0.01 -0.04 3.06 2.94 2ohfA1 TYR 375 HB3 0.03 0.12 0.08 -0.04 2.98 3.17 2ohfA1 TYR 375 HD2 0.00 -0.05 -0.13 -0.04 7.15 6.93 2ohfA1 TYR 375 HE2 -0.03 -0.06 -0.10 -0.04 6.85 6.62 2ohfA1 ILE 376 H -0.27 0.17 0.14 -0.55 8.25 7.73 2ohfA1 ILE 376 HA -0.17 0.18 0.55 -0.75 4.18 3.99 2ohfA1 ILE 376 HB -0.25 -0.08 0.14 -0.04 1.89 1.66 2ohfA1 ILE 376 HG12 -0.07 0.10 -0.02 -0.04 1.49 1.46 2ohfA1 ILE 376 HG13 -0.09 -0.02 0.04 -0.04 1.21 1.10 2ohfA1 ILE 376 HG23 -0.12 0.08 -0.12 -0.04 0.93 0.74 2ohfA1 ILE 376 HD13 -0.06 -0.01 0.04 -0.04 0.88 0.81 2ohfA1 VAL 377 H -0.16 0.37 0.15 -0.55 8.24 8.05 2ohfA1 VAL 377 HA -0.14 -0.05 0.36 -0.75 4.13 3.55 2ohfA1 VAL 377 HB -0.03 0.07 -0.07 -0.04 2.12 2.05 2ohfA1 VAL 377 HG13 0.01 -0.01 -0.19 -0.04 0.97 0.74 2ohfA1 VAL 377 HG23 -0.03 -0.01 -0.14 -0.04 0.95 0.73 2ohfA1 GLU 378 H 0.05 0.09 0.14 -0.55 8.60 8.34 2ohfA1 GLU 378 HA -0.02 0.18 0.78 -0.75 4.29 4.47 2ohfA1 GLU 378 HB2 0.09 -0.07 0.06 -0.04 2.09 2.12 2ohfA1 GLU 378 HB3 0.05 0.04 0.02 -0.04 1.99 2.05 2ohfA1 GLU 378 HG2 -0.01 -0.01 0.03 -0.04 2.34 2.31 2ohfA1 GLU 378 HG3 -0.09 0.17 -0.17 -0.04 2.34 2.22 2ohfA1 ASP 379 H 0.01 0.15 0.11 -0.55 8.40 8.12 2ohfA1 ASP 379 HA -0.01 0.24 0.44 -0.75 4.63 4.55 2ohfA1 ASP 379 HB2 -0.06 0.05 0.10 -0.04 2.71 2.76 2ohfA1 ASP 379 HB3 -0.02 -0.01 0.17 -0.04 2.70 2.79 2ohfA1 GLY 380 H -0.03 0.53 0.37 -0.55 8.43 8.75 2ohfA1 GLY 380 HA2 0.35 -0.03 0.33 -0.51 4.01 4.16 2ohfA1 GLY 380 HA3 0.21 0.05 0.71 -0.51 4.01 4.47 2ohfA1 ASP 381 H 0.17 0.44 -0.09 -0.55 8.40 8.37 2ohfA1 ASP 381 HA 0.17 -0.03 0.28 -0.75 4.63 4.29 2ohfA1 ASP 381 HB2 0.14 0.04 0.15 -0.04 2.71 3.00 2ohfA1 ASP 381 HB3 0.08 0.01 -0.10 -0.04 2.70 2.64 2ohfA1 ILE 382 H 0.14 0.65 0.37 -0.55 8.25 8.86 2ohfA1 ILE 382 HA 0.30 0.16 0.92 -0.75 4.18 4.81 2ohfA1 ILE 382 HB 0.03 -0.05 0.18 -0.04 1.89 2.01 2ohfA1 ILE 382 HG12 0.33 0.03 -0.09 -0.04 1.49 1.72 2ohfA1 ILE 382 HG13 0.19 0.11 0.05 -0.04 1.21 1.52 2ohfA1 ILE 382 HG23 0.03 -0.00 -0.08 -0.04 0.93 0.84 2ohfA1 ILE 382 HD13 -0.09 -0.03 -0.05 -0.04 0.88 0.67 2ohfA1 ILE 383 H 0.12 0.55 0.24 -0.55 8.25 8.61 2ohfA1 ILE 383 HA -0.17 0.39 0.80 -0.75 4.18 4.44 2ohfA1 ILE 383 HB -0.42 0.08 0.00 -0.04 1.89 1.52 2ohfA1 ILE 383 HG12 -0.24 -0.00 -0.36 -0.04 1.49 0.85 2ohfA1 ILE 383 HG13 -0.07 -0.14 -0.64 -0.04 1.21 0.33 2ohfA1 ILE 383 HG23 -1.27 -0.04 -0.42 -0.04 0.93 -0.84 2ohfA1 ILE 383 HD13 -0.44 -0.01 -0.16 -0.04 0.88 0.23 2ohfA1 PHE 384 H -0.01 0.67 0.34 -0.55 8.34 8.79 2ohfA1 PHE 384 HA -0.06 0.16 0.77 -0.75 4.62 4.73 2ohfA1 PHE 384 HB2 0.04 0.01 0.13 -0.04 3.15 3.29 2ohfA1 PHE 384 HB3 0.01 -0.05 0.19 -0.04 3.06 3.17 2ohfA1 PHE 384 HD2 0.03 -0.01 -0.06 -0.04 7.28 7.20 2ohfA1 PHE 384 HE2 0.07 -0.02 -0.01 -0.04 7.38 7.38 2ohfA1 PHE 384 HZ 0.09 -0.02 0.01 -0.04 7.32 7.36 2ohfA1 PHE 385 H -0.43 0.21 0.03 -0.55 8.34 7.60 2ohfA1 PHE 385 HA -0.12 0.08 0.81 -0.75 4.62 4.63 2ohfA1 PHE 385 HB2 -0.26 -0.00 0.06 -0.04 3.15 2.90 2ohfA1 PHE 385 HB3 -0.54 0.05 -0.12 -0.04 3.06 2.41 2ohfA1 PHE 385 HD2 -0.20 0.02 -0.10 -0.04 7.28 6.97 2ohfA1 PHE 385 HE2 -0.24 0.01 -0.16 -0.04 7.38 6.94 2ohfA1 PHE 385 HZ -0.79 -0.02 -0.26 -0.04 7.32 6.21 2ohfA1 LYS 386 H -0.10 0.80 0.40 -0.55 8.42 8.97 2ohfA1 LYS 386 HA -0.56 0.18 0.98 -0.75 4.32 4.17 2ohfA1 LYS 386 HB2 -0.16 0.00 0.06 -0.04 1.87 1.73 2ohfA1 LYS 386 HB3 -0.11 -0.00 0.01 -0.04 1.79 1.64 2ohfA1 LYS 386 HG2 0.09 -0.02 -0.45 -0.04 1.46 1.04 2ohfA1 LYS 386 HG3 0.06 -0.02 -0.12 -0.04 1.46 1.34 2ohfA1 LYS 386 HD2 0.18 0.09 -0.03 -0.04 1.69 1.89 2ohfA1 LYS 386 HD3 0.46 -0.02 -0.12 -0.04 1.68 1.96 2ohfA1 LYS 386 HE2 0.08 -0.02 -0.04 -0.04 2.99 2.96 2ohfA1 LYS 386 HE3 0.04 0.01 0.01 -0.04 2.99 3.01 2ohfA1 PHE 387 H -0.16 0.28 0.23 -0.55 8.34 8.14 2ohfA1 PHE 387 HA -0.03 0.05 0.99 -0.75 4.62 4.87 2ohfA1 PHE 387 HB2 -0.10 -0.04 -0.08 -0.04 3.15 2.90 2ohfA1 PHE 387 HB3 -0.09 0.27 0.08 -0.04 3.06 3.28 2ohfA1 PHE 387 HD2 -0.17 0.02 -0.26 -0.04 7.28 6.83 2ohfA1 PHE 387 HE2 -0.71 0.04 -0.15 -0.04 7.38 6.52 2ohfA1 PHE 387 HZ -1.17 0.01 -0.17 -0.04 7.32 5.95 2ohfA1 ASN 388 H 0.11 0.34 0.13 -0.55 8.53 8.56 2ohfA1 ASN 388 HA 0.05 0.06 0.19 -0.75 4.76 4.31 2ohfA1 ASN 388 HB2 0.06 0.00 -0.06 -0.04 2.88 2.85 2ohfA1 ASN 388 HB3 0.09 0.16 -0.20 -0.04 2.79 2.80 2ohfA1 ASN 388 HD21 0.03 -0.02 0.01 -0.04 7.03 7.02 2ohfA1 ASN 388 HD22 0.05 0.01 -0.01 -0.04 7.74 7.75