============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 11 0.900 15.839 55.700 104.013 -99.200 -91.000 TYR 41 0.840 37.428 37.080 95.418 -99.200 -91.000 HIS 43 0.900 42.549 34.809 98.944 -99.200 -91.000 PHE 44 1.000 41.363 29.195 106.915 -99.200 -91.000 PHE 54 1.000 39.901 20.009 118.802 -99.200 -91.000 HIS 62 0.900 49.113 4.582 132.403 -99.200 -91.000 HIS 77 0.900 56.758 -11.998 140.743 -99.200 -91.000 PHE 83 1.000 52.456 -8.394 137.302 -99.200 -91.000 TRP 86 1.040 46.327 2.675 131.285 -99.200 -91.000 TRP6 86 1.020 46.518 2.822 128.935 -99.200 -91.000 PHE 103 1.000 33.710 16.904 119.330 -99.200 -91.000 TYR 105 0.840 26.009 9.824 122.428 -99.200 -91.000 PHE 108 1.000 38.429 7.820 119.434 -99.200 -91.000 TYR 112 0.840 46.564 2.927 122.494 -99.200 -91.000 TYR 126 0.840 75.847 -4.228 132.390 -99.200 -91.000 TYR 136 0.840 42.623 -5.852 125.474 -99.200 -91.000 TRP 147 1.040 59.212 -12.014 136.697 -99.200 -91.000 TRP6 147 1.020 60.478 -12.291 134.734 -99.200 -91.000 TYR 150 0.840 48.212 -19.307 133.304 -99.200 -91.000 TRP 152 1.040 53.496 -12.304 132.045 -99.200 -91.000 TRP6 152 1.020 53.034 -10.077 131.482 -99.200 -91.000 PHE 161 1.000 56.958 -10.723 123.307 -99.200 -91.000 PHE 162 1.000 58.018 -1.509 123.519 -99.200 -91.000 PHE 170 1.000 49.390 -1.490 119.580 -99.200 -91.000 TYR 174 0.840 33.231 1.869 117.865 -99.200 -91.000 TYR 181 0.840 35.481 3.825 121.640 -99.200 -91.000 PHE 184 1.000 30.700 14.378 128.881 -99.200 -91.000 TYR 185 0.840 25.312 5.261 131.232 -99.200 -91.000 TYR 188 0.840 22.794 5.675 138.760 -99.200 -91.000 HIS 190 0.900 23.138 -2.872 139.066 -99.200 -91.000 TYR 197 0.840 25.438 9.862 137.471 -99.200 -91.000 HIS 204 0.900 34.367 -4.295 132.245 -99.200 -91.000 PHE 210 1.000 52.381 -1.111 129.693 -99.200 -91.000 HIS 216 0.900 68.735 -11.461 138.966 -99.200 -91.000 HIS 219 0.900 72.633 -2.735 136.144 -99.200 -91.000 TYR 228 0.840 53.716 9.573 123.951 -99.200 -91.000 HIS 229 0.900 43.752 7.285 121.347 -99.200 -91.000 HIS 233 0.900 40.634 5.297 110.070 -99.200 -91.000 TRP 237 1.040 27.171 11.192 115.725 -99.200 -91.000 TRP6 237 1.020 28.750 9.460 115.836 -99.200 -91.000 TYR 247 0.840 38.643 17.137 133.226 -99.200 -91.000 TYR 255 0.840 32.022 21.790 140.330 -99.200 -91.000 TYR 273 0.840 37.093 51.392 126.285 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1hrv11 THR 17 HA 0.04 -0.03 0.24 -0.75 4.39 3.89 1hrv11 THR 17 HB 0.02 -0.15 0.06 -0.04 4.32 4.21 1hrv11 THR 17 HG23 0.04 0.01 -0.44 -0.04 1.22 0.79 1hrv11 VAL 18 H 0.07 0.11 0.11 -0.55 8.24 7.98 1hrv11 VAL 18 HA 0.12 0.07 0.43 -0.75 4.13 3.99 1hrv11 VAL 18 HB -0.12 0.11 0.08 -0.04 2.12 2.15 1hrv11 VAL 18 HG13 0.19 -0.01 0.01 -0.04 0.97 1.12 1hrv11 VAL 18 HG23 -0.01 -0.03 -0.26 -0.04 0.95 0.61 1hrv11 ALA 19 H -0.06 0.45 0.47 -0.55 8.40 8.70 1hrv11 ALA 19 HA -0.00 0.10 0.67 -0.75 4.34 4.35 1hrv11 ALA 19 HB3 -0.02 -0.01 -0.17 -0.04 1.41 1.17 1hrv11 SER 20 H -0.10 0.46 0.24 -0.55 8.46 8.52 1hrv11 SER 20 HA -0.04 0.07 0.53 -0.75 4.49 4.30 1hrv11 SER 20 HB2 -0.04 -0.03 0.13 -0.04 3.95 3.98 1hrv11 SER 20 HB3 -0.04 0.03 -0.21 -0.04 3.93 3.67 1hrv11 ILE 21 H -0.03 0.13 0.04 -0.55 8.25 7.83 1hrv11 ILE 21 HA -0.06 0.12 0.87 -0.75 4.18 4.35 1hrv11 ILE 21 HB -0.02 -0.03 0.10 -0.04 1.89 1.90 1hrv11 ILE 21 HG12 -0.02 -0.13 -0.21 -0.04 1.49 1.08 1hrv11 ILE 21 HG13 -0.02 0.30 -0.68 -0.04 1.21 0.78 1hrv11 ILE 21 HG23 -0.01 0.00 -0.05 -0.04 0.93 0.83 1hrv11 ILE 21 HD13 -0.01 0.00 -0.06 -0.04 0.88 0.77 1hrv11 SER 22 H -0.03 0.08 0.06 -0.55 8.46 8.02 1hrv11 SER 22 HA -0.03 0.13 0.04 -0.75 4.49 3.88 1hrv11 SER 22 HB2 -0.02 -0.08 0.15 -0.04 3.95 3.95 1hrv11 SER 22 HB3 -0.01 0.02 0.02 -0.04 3.93 3.91 1hrv11 SER 23 H -0.02 0.53 0.30 -0.55 8.46 8.73 1hrv11 SER 23 HA -0.01 0.05 0.67 -0.75 4.49 4.45 1hrv11 SER 23 HB2 -0.01 0.03 -0.02 -0.04 3.95 3.92 1hrv11 SER 23 HB3 -0.01 -0.11 -0.05 -0.04 3.93 3.71 1hrv11 GLY 24 H -0.00 0.12 0.09 -0.55 8.43 8.10 1hrv11 GLY 24 HA2 -0.00 0.12 0.77 -0.51 4.01 4.39 1hrv11 GLY 24 HA3 0.00 0.00 0.33 -0.51 4.01 3.83 1hrv11 PRO 25 HA 0.00 0.07 0.32 -0.51 4.44 4.31 1hrv11 PRO 25 HB2 0.02 0.02 -0.13 -0.04 2.28 2.15 1hrv11 PRO 25 HB3 0.01 0.04 0.07 -0.04 2.02 2.11 1hrv11 PRO 25 HG2 0.01 0.03 0.06 -0.04 2.03 2.09 1hrv11 PRO 25 HG3 0.00 0.05 0.09 -0.04 2.03 2.13 1hrv11 PRO 25 HD2 0.01 0.10 0.15 -0.04 3.68 3.90 1hrv11 PRO 25 HD3 0.00 0.11 0.23 -0.04 3.65 3.95 1hrv11 LYS 26 H 0.01 0.26 0.18 -0.55 8.42 8.32 1hrv11 LYS 26 HA 0.03 0.07 0.56 -0.75 4.32 4.23 1hrv11 LYS 26 HB2 0.01 0.07 -0.05 -0.04 1.87 1.86 1hrv11 LYS 26 HB3 0.01 -0.02 0.02 -0.04 1.79 1.77 1hrv11 LYS 26 HG2 0.02 -0.09 -0.00 -0.04 1.46 1.35 1hrv11 LYS 26 HG3 0.01 0.02 0.01 -0.04 1.46 1.46 1hrv11 LYS 26 HD2 0.00 0.02 -0.06 -0.04 1.69 1.61 1hrv11 LYS 26 HD3 0.00 0.02 0.03 -0.04 1.68 1.69 1hrv11 LYS 26 HE2 0.00 -0.05 -0.08 -0.04 2.99 2.82 1hrv11 LYS 26 HE3 0.00 0.07 -0.20 -0.04 2.99 2.82 1hrv11 HIS 27 H 0.10 0.19 -0.16 -0.55 8.41 7.99 1hrv11 HIS 27 HA -0.00 0.18 0.54 -0.75 4.63 4.59 1hrv11 HIS 27 HB2 -0.00 0.05 0.02 -0.04 3.26 3.29 1hrv11 HIS 27 HB3 -0.00 -0.04 0.20 -0.04 3.20 3.32 1hrv11 HIS 27 HD2 -0.00 0.04 -0.26 -0.04 6.97 6.70 1hrv11 HIS 27 HE1 -0.00 -0.01 0.00 -0.04 7.75 7.69 1hrv11 THR 28 H 0.08 0.22 0.01 -0.55 8.28 8.04 1hrv11 THR 28 HA 0.06 0.30 1.17 -0.75 4.39 5.17 1hrv11 THR 28 HB 0.03 -0.57 -0.25 -0.04 4.32 3.49 1hrv11 THR 28 HG23 0.02 0.02 0.10 -0.04 1.22 1.32 1hrv11 GLN 29 H 0.03 0.17 0.17 -0.55 8.47 8.29 1hrv11 GLN 29 HA 0.03 0.14 0.37 -0.75 4.36 4.15 1hrv11 GLN 29 HB2 0.02 -0.01 0.07 -0.04 2.15 2.18 1hrv11 GLN 29 HB3 0.01 0.03 -0.07 -0.04 2.02 1.94 1hrv11 GLN 29 HG2 0.01 0.00 0.03 -0.04 2.40 2.40 1hrv11 GLN 29 HG3 0.01 0.02 0.11 -0.04 2.39 2.49 1hrv11 GLN 29 HE21 0.02 0.01 -0.04 -0.04 6.97 6.92 1hrv11 GLN 29 HE22 0.03 0.02 -0.08 -0.04 7.69 7.61 1hrv11 LYS 30 H 0.02 0.00 -0.26 -0.55 8.42 7.63 1hrv11 LYS 30 HA 0.01 0.18 0.75 -0.75 4.32 4.50 1hrv11 LYS 30 HB2 0.01 -0.10 0.06 -0.04 1.87 1.80 1hrv11 LYS 30 HB3 0.01 0.04 0.19 -0.04 1.79 1.99 1hrv11 LYS 30 HG2 0.01 0.04 -0.04 -0.04 1.46 1.43 1hrv11 LYS 30 HG3 0.01 0.03 0.01 -0.04 1.46 1.47 1hrv11 LYS 30 HD2 0.01 0.01 -0.01 -0.04 1.69 1.65 1hrv11 LYS 30 HD3 0.01 -0.03 0.01 -0.04 1.68 1.64 1hrv11 LYS 30 HE2 0.01 0.01 -0.05 -0.04 2.99 2.92 1hrv11 LYS 30 HE3 0.00 0.01 -0.02 -0.04 2.99 2.94 1hrv11 VAL 31 H 0.01 0.24 -0.03 -0.55 8.24 7.91 1hrv11 VAL 31 HA 0.01 0.21 0.70 -0.75 4.13 4.29 1hrv11 VAL 31 HB 0.01 0.04 0.17 -0.04 2.12 2.30 1hrv11 VAL 31 HG13 0.00 -0.05 -0.02 -0.04 0.97 0.86 1hrv11 VAL 31 HG23 0.01 0.01 -0.15 -0.04 0.95 0.78 1hrv11 PRO 32 HA 0.00 0.11 0.40 -0.51 4.44 4.45 1hrv11 PRO 32 HB2 0.00 0.00 -0.04 -0.04 2.28 2.21 1hrv11 PRO 32 HB3 0.00 0.02 0.05 -0.04 2.02 2.05 1hrv11 PRO 32 HG2 -0.00 0.05 -0.05 -0.04 2.03 1.99 1hrv11 PRO 32 HG3 0.00 0.08 0.10 -0.04 2.03 2.16 1hrv11 PRO 32 HD2 0.00 0.09 0.25 -0.04 3.68 3.98 1hrv11 PRO 32 HD3 0.00 0.31 0.20 -0.04 3.65 4.13 1hrv11 ILE 33 H 0.00 0.07 -0.38 -0.55 8.25 7.39 1hrv11 ILE 33 HA -0.00 0.18 0.69 -0.75 4.18 4.30 1hrv11 ILE 33 HB -0.00 -0.00 0.08 -0.04 1.89 1.92 1hrv11 ILE 33 HG12 -0.00 -0.02 -0.03 -0.04 1.49 1.40 1hrv11 ILE 33 HG13 -0.00 0.01 -0.21 -0.04 1.21 0.96 1hrv11 ILE 33 HG23 -0.00 0.01 -0.17 -0.04 0.93 0.73 1hrv11 ILE 33 HD13 -0.01 0.01 -0.03 -0.04 0.88 0.81 1hrv11 LEU 34 H 0.00 0.31 -0.24 -0.55 8.37 7.90 1hrv11 LEU 34 HA -0.00 0.11 0.78 -0.75 4.35 4.49 1hrv11 LEU 34 HB2 0.00 0.05 0.15 -0.04 1.64 1.80 1hrv11 LEU 34 HB3 0.00 0.02 -0.03 -0.04 1.64 1.59 1hrv11 LEU 34 HG -0.00 -0.06 -0.11 -0.04 1.64 1.43 1hrv11 LEU 34 HD13 0.00 -0.01 -0.00 -0.04 0.93 0.88 1hrv11 LEU 34 HD23 -0.00 0.02 0.02 -0.04 0.89 0.89 1hrv11 THR 35 H 0.00 0.17 0.11 -0.55 8.28 8.01 1hrv11 THR 35 HA 0.00 0.18 0.72 -0.75 4.39 4.54 1hrv11 THR 35 HB 0.00 0.13 -0.38 -0.04 4.32 4.02 1hrv11 THR 35 HG23 0.00 0.00 -0.11 -0.04 1.22 1.07 1hrv11 ALA 36 H 0.00 0.22 0.05 -0.55 8.40 8.13 1hrv11 ALA 36 HA 0.00 0.18 0.80 -0.75 4.34 4.56 1hrv11 ALA 36 HB3 0.00 0.03 0.10 -0.04 1.41 1.51 1hrv11 ASN 37 H 0.00 0.27 0.05 -0.55 8.53 8.30 1hrv11 ASN 37 HA 0.00 0.13 0.33 -0.75 4.76 4.47 1hrv11 ASN 37 HB2 -0.00 0.00 0.09 -0.04 2.88 2.93 1hrv11 ASN 37 HB3 -0.00 0.06 0.07 -0.04 2.79 2.88 1hrv11 ASN 37 HD21 -0.00 0.02 0.03 -0.04 7.03 7.04 1hrv11 ASN 37 HD22 -0.00 0.02 0.02 -0.04 7.74 7.73 1hrv11 GLU 38 H 0.00 0.02 -0.68 -0.55 8.60 7.39 1hrv11 GLU 38 HA 0.00 0.13 0.40 -0.75 4.29 4.07 1hrv11 GLU 38 HB2 0.00 0.06 -0.04 -0.04 2.09 2.07 1hrv11 GLU 38 HB3 0.00 0.03 0.10 -0.04 1.99 2.09 1hrv11 GLU 38 HG2 0.00 0.03 -0.02 -0.04 2.34 2.31 1hrv11 GLU 38 HG3 0.00 0.04 0.01 -0.04 2.34 2.34 1hrv11 THR 39 H 0.00 0.31 -0.30 -0.55 8.28 7.75 1hrv11 THR 39 HA 0.00 0.09 0.32 -0.75 4.39 4.04 1hrv11 THR 39 HB 0.01 0.01 0.07 -0.04 4.32 4.36 1hrv11 THR 39 HG23 0.00 0.02 0.08 -0.04 1.22 1.28 1hrv11 GLY 40 H 0.00 0.28 -0.24 -0.55 8.43 7.93 1hrv11 GLY 40 HA2 0.00 0.05 0.24 -0.51 4.01 3.80 1hrv11 GLY 40 HA3 0.01 0.14 0.65 -0.51 4.01 4.29 1hrv11 ALA 41 H 0.00 -0.06 -0.15 -0.55 8.40 7.65 1hrv11 ALA 41 HA 0.01 0.20 0.63 -0.75 4.34 4.42 1hrv11 ALA 41 HB3 0.01 0.00 -0.07 -0.04 1.41 1.31 1hrv11 THR 42 H 0.01 0.23 0.04 -0.55 8.28 8.02 1hrv11 THR 42 HA 0.00 0.14 0.76 -0.75 4.39 4.54 1hrv11 THR 42 HB 0.00 -0.01 0.16 -0.04 4.32 4.44 1hrv11 THR 42 HG23 0.00 0.02 -0.05 -0.04 1.22 1.15 1hrv11 MET 43 H 0.00 0.13 -0.13 -0.55 8.47 7.92 1hrv11 MET 43 HA 0.00 0.11 0.47 -0.75 4.52 4.36 1hrv11 MET 43 HB2 0.00 -0.07 0.04 -0.04 2.15 2.08 1hrv11 MET 43 HB3 0.00 0.03 -0.01 -0.04 2.03 2.02 1hrv11 MET 43 HG2 0.00 0.05 -0.05 -0.04 2.63 2.59 1hrv11 MET 43 HG3 0.00 0.08 -0.00 -0.04 2.56 2.60 1hrv11 MET 43 HE3 0.01 0.01 -0.08 -0.04 2.10 1.99 1hrv11 PRO 44 HA 0.00 0.14 0.36 -0.51 4.44 4.43 1hrv11 PRO 44 HB2 0.00 0.00 0.19 -0.04 2.28 2.43 1hrv11 PRO 44 HB3 0.00 0.03 0.12 -0.04 2.02 2.14 1hrv11 PRO 44 HG2 0.00 0.02 0.04 -0.04 2.03 2.05 1hrv11 PRO 44 HG3 0.00 0.01 0.09 -0.04 2.03 2.09 1hrv11 PRO 44 HD2 0.00 0.03 0.15 -0.04 3.68 3.82 1hrv11 PRO 44 HD3 0.00 0.17 0.22 -0.04 3.65 4.01 1hrv11 VAL 45 H -0.00 0.54 0.18 -0.55 8.24 8.41 1hrv11 VAL 45 HA -0.00 0.00 0.40 -0.75 4.13 3.78 1hrv11 VAL 45 HB -0.00 0.03 0.07 -0.04 2.12 2.17 1hrv11 VAL 45 HG13 -0.00 -0.02 -0.16 -0.04 0.97 0.75 1hrv11 VAL 45 HG23 -0.00 0.00 -0.13 -0.04 0.95 0.78 1hrv11 LEU 46 H -0.00 0.14 0.14 -0.55 8.37 8.10 1hrv11 LEU 46 HA -0.01 0.25 0.77 -0.75 4.35 4.60 1hrv11 LEU 46 HB2 -0.01 -0.08 -0.09 -0.04 1.64 1.43 1hrv11 LEU 46 HB3 -0.01 0.01 0.03 -0.04 1.64 1.63 1hrv11 LEU 46 HG -0.00 0.14 -0.12 -0.04 1.64 1.61 1hrv11 LEU 46 HD13 -0.00 -0.00 -0.05 -0.04 0.93 0.83 1hrv11 LEU 46 HD23 -0.00 0.07 -0.17 -0.04 0.89 0.75 1hrv11 PRO 47 HA -0.01 0.07 0.37 -0.51 4.44 4.36 1hrv11 PRO 47 HB2 -0.02 0.03 0.08 -0.04 2.28 2.33 1hrv11 PRO 47 HB3 -0.02 0.04 0.06 -0.04 2.02 2.06 1hrv11 PRO 47 HG2 -0.02 0.09 0.09 -0.04 2.03 2.15 1hrv11 PRO 47 HG3 -0.02 0.06 0.06 -0.04 2.03 2.09 1hrv11 PRO 47 HD2 -0.01 0.18 0.24 -0.04 3.68 4.04 1hrv11 PRO 47 HD3 -0.01 0.19 0.07 -0.04 3.65 3.86 1hrv11 SER 48 H -0.01 0.13 -0.36 -0.55 8.46 7.67 1hrv11 SER 48 HA -0.01 0.21 0.37 -0.75 4.49 4.30 1hrv11 SER 48 HB2 -0.01 0.04 0.14 -0.04 3.95 4.07 1hrv11 SER 48 HB3 -0.02 0.02 0.04 -0.04 3.93 3.93 1hrv11 ASP 49 H -0.01 0.38 -0.52 -0.55 8.40 7.70 1hrv11 ASP 49 HA -0.00 0.17 0.82 -0.75 4.63 4.86 1hrv11 ASP 49 HB2 -0.00 0.11 0.04 -0.04 2.71 2.81 1hrv11 ASP 49 HB3 -0.00 -0.07 0.04 -0.04 2.70 2.63 1hrv11 SER 50 H -0.01 0.23 0.14 -0.55 8.46 8.27 1hrv11 SER 50 HA -0.01 0.14 0.81 -0.75 4.49 4.67 1hrv11 SER 50 HB2 -0.01 -0.02 0.08 -0.04 3.95 3.97 1hrv11 SER 50 HB3 -0.01 -0.01 -0.28 -0.04 3.93 3.60 1hrv11 ILE 51 H -0.01 0.42 0.28 -0.55 8.25 8.39 1hrv11 ILE 51 HA -0.01 0.13 0.46 -0.75 4.18 4.00 1hrv11 ILE 51 HB -0.01 -0.03 0.14 -0.04 1.89 1.95 1hrv11 ILE 51 HG12 -0.01 0.14 -0.02 -0.04 1.49 1.56 1hrv11 ILE 51 HG13 -0.01 -0.01 -0.67 -0.04 1.21 0.48 1hrv11 ILE 51 HG23 -0.01 -0.01 -0.07 -0.04 0.93 0.80 1hrv11 ILE 51 HD13 -0.02 -0.01 -0.08 -0.04 0.88 0.74 1hrv11 GLU 52 H -0.01 0.11 0.07 -0.55 8.60 8.22 1hrv11 GLU 52 HA -0.01 0.23 0.60 -0.75 4.29 4.36 1hrv11 GLU 52 HB2 -0.01 -0.09 0.17 -0.04 2.09 2.13 1hrv11 GLU 52 HB3 -0.01 0.11 0.12 -0.04 1.99 2.17 1hrv11 GLU 52 HG2 -0.01 0.13 -0.37 -0.04 2.34 2.06 1hrv11 GLU 52 HG3 -0.01 -0.06 -0.07 -0.04 2.34 2.16 1hrv11 THR 53 H -0.02 0.18 0.25 -0.55 8.28 8.15 1hrv11 THR 53 HA -0.02 0.14 0.75 -0.75 4.39 4.50 1hrv11 THR 53 HB -0.03 0.09 0.08 -0.04 4.32 4.42 1hrv11 THR 53 HG23 -0.02 -0.02 -0.22 -0.04 1.22 0.92 1hrv11 ARG 54 H -0.04 0.23 0.14 -0.55 8.46 8.24 1hrv11 ARG 54 HA -0.03 0.09 0.73 -0.75 4.34 4.38 1hrv11 ARG 54 HB2 -0.03 -0.01 0.07 -0.04 1.90 1.89 1hrv11 ARG 54 HB3 -0.02 0.00 -0.04 -0.04 1.80 1.69 1hrv11 ARG 54 HG2 -0.03 -0.06 -0.04 -0.04 1.67 1.50 1hrv11 ARG 54 HG3 -0.05 0.08 -0.65 -0.04 1.67 1.01 1hrv11 ARG 54 HD2 -0.02 -0.04 -0.04 -0.04 3.22 3.08 1hrv11 ARG 54 HD3 -0.03 -0.03 -0.09 -0.04 3.22 3.03 1hrv11 THR 55 H -0.06 0.07 0.05 -0.55 8.28 7.79 1hrv11 THR 55 HA -0.14 0.26 0.41 -0.75 4.39 4.17 1hrv11 THR 55 HB -0.13 -0.02 0.04 -0.04 4.32 4.17 1hrv11 THR 55 HG23 -0.42 0.01 -0.08 -0.04 1.22 0.68 1hrv11 THR 56 H -0.28 0.58 0.39 -0.55 8.28 8.43 1hrv11 THR 56 HA -0.24 0.10 0.60 -0.75 4.39 4.10 1hrv11 THR 56 HB -0.03 0.07 0.05 -0.04 4.32 4.37 1hrv11 THR 56 HG23 -0.05 0.02 -0.17 -0.04 1.22 0.98 1hrv11 TYR 57 H -0.03 0.19 0.15 -0.55 8.29 8.05 1hrv11 TYR 57 HA -0.11 0.13 0.97 -0.75 4.56 4.80 1hrv11 TYR 57 HB2 -0.48 -0.00 0.06 -0.04 3.06 2.60 1hrv11 TYR 57 HB3 -0.38 0.04 0.10 -0.04 2.98 2.70 1hrv11 TYR 57 HD2 -0.02 0.06 -0.18 -0.04 7.15 6.97 1hrv11 TYR 57 HE2 -0.00 0.01 -0.08 -0.04 6.85 6.73 1hrv11 MET 58 H -0.00 0.68 0.30 -0.55 8.47 8.90 1hrv11 MET 58 HA 0.04 0.08 0.42 -0.75 4.52 4.30 1hrv11 MET 58 HB2 0.04 0.07 0.16 -0.04 2.15 2.37 1hrv11 MET 58 HB3 0.11 0.01 0.05 -0.04 2.03 2.16 1hrv11 MET 58 HG2 0.02 -0.11 -0.12 -0.04 2.63 2.38 1hrv11 MET 58 HG3 0.04 0.08 -0.21 -0.04 2.56 2.43 1hrv11 MET 58 HE3 -0.00 0.01 0.01 -0.04 2.10 2.08 1hrv11 HIS 59 H -0.20 0.10 0.03 -0.55 8.41 7.79 1hrv11 HIS 59 HA 0.08 -0.03 0.30 -0.75 4.63 4.22 1hrv11 HIS 59 HB2 0.10 0.32 0.13 -0.04 3.26 3.77 1hrv11 HIS 59 HB3 0.09 -0.08 0.23 -0.04 3.20 3.40 1hrv11 HIS 59 HD2 0.08 0.19 -0.16 -0.04 6.97 7.03 1hrv11 HIS 59 HE1 0.07 -0.01 -0.02 -0.04 7.75 7.74 1hrv11 PHE 60 H 0.18 0.20 -0.21 -0.55 8.34 7.95 1hrv11 PHE 60 HA 0.04 0.04 0.66 -0.75 4.62 4.61 1hrv11 PHE 60 HB2 0.06 0.26 -0.44 -0.04 3.15 2.99 1hrv11 PHE 60 HB3 0.04 0.01 -0.15 -0.04 3.06 2.91 1hrv11 PHE 60 HD2 0.03 0.10 -0.10 -0.04 7.28 7.27 1hrv11 PHE 60 HE2 0.01 0.05 -0.01 -0.04 7.38 7.39 1hrv11 PHE 60 HZ 0.01 0.03 -0.01 -0.04 7.32 7.31 1hrv11 ASN 61 H -0.58 -0.01 0.18 -0.55 8.53 7.58 1hrv11 ASN 61 HA -0.04 0.33 0.96 -0.75 4.76 5.25 1hrv11 ASN 61 HB2 -0.19 -0.13 -0.03 -0.04 2.88 2.49 1hrv11 ASN 61 HB3 -0.09 0.07 -0.02 -0.04 2.79 2.71 1hrv11 ASN 61 HD21 -0.04 0.05 -0.08 -0.04 7.03 6.91 1hrv11 ASN 61 HD22 -0.09 -0.01 -0.03 -0.04 7.74 7.57 1hrv11 GLY 62 H -1.02 -0.00 0.13 -0.55 8.43 6.99 1hrv11 GLY 62 HA2 -0.08 0.04 0.27 -0.51 4.01 3.74 1hrv11 GLY 62 HA3 -0.01 0.24 0.39 -0.51 4.01 4.12 1hrv11 SER 63 H -0.29 -0.02 -0.04 -0.55 8.46 7.57 1hrv11 SER 63 HA -0.08 0.16 0.33 -0.75 4.49 4.14 1hrv11 SER 63 HB2 -0.18 -0.11 0.08 -0.04 3.95 3.71 1hrv11 SER 63 HB3 -0.07 0.09 -0.43 -0.04 3.93 3.48 1hrv11 GLU 64 H -0.08 0.06 -0.16 -0.55 8.60 7.87 1hrv11 GLU 64 HA 0.01 0.18 0.66 -0.75 4.29 4.38 1hrv11 GLU 64 HB2 -0.00 0.00 0.05 -0.04 2.09 2.10 1hrv11 GLU 64 HB3 0.02 -0.05 0.06 -0.04 1.99 1.98 1hrv11 GLU 64 HG2 0.07 0.05 0.06 -0.04 2.34 2.47 1hrv11 GLU 64 HG3 0.04 0.05 0.08 -0.04 2.34 2.47 1hrv11 THR 65 H -0.00 0.15 -0.49 -0.55 8.28 7.39 1hrv11 THR 65 HA 0.02 0.23 0.72 -0.75 4.39 4.61 1hrv11 THR 65 HB -0.02 0.03 0.11 -0.04 4.32 4.39 1hrv11 THR 65 HG23 0.02 0.01 -0.10 -0.04 1.22 1.11 1hrv11 ASP 66 H 0.00 0.09 -0.21 -0.55 8.40 7.73 1hrv11 ASP 66 HA -0.01 0.12 0.56 -0.75 4.63 4.54 1hrv11 ASP 66 HB2 -0.02 0.17 0.20 -0.04 2.71 3.03 1hrv11 ASP 66 HB3 -0.00 -0.10 0.13 -0.04 2.70 2.69 1hrv11 VAL 67 H -0.03 0.20 0.18 -0.55 8.24 8.05 1hrv11 VAL 67 HA 0.14 0.13 0.31 -0.75 4.13 3.95 1hrv11 VAL 67 HB -0.08 0.04 0.04 -0.04 2.12 2.08 1hrv11 VAL 67 HG13 -0.10 0.03 0.06 -0.04 0.97 0.92 1hrv11 VAL 67 HG23 -0.16 -0.02 -0.11 -0.04 0.95 0.62 1hrv11 GLU 68 H -0.01 0.06 -0.34 -0.55 8.60 7.76 1hrv11 GLU 68 HA -0.02 0.05 0.24 -0.75 4.29 3.81 1hrv11 GLU 68 HB2 -0.01 0.02 0.09 -0.04 2.09 2.14 1hrv11 GLU 68 HB3 -0.01 0.00 0.03 -0.04 1.99 1.97 1hrv11 GLU 68 HG2 -0.00 0.04 -0.04 -0.04 2.34 2.30 1hrv11 GLU 68 HG3 -0.03 0.11 -0.04 -0.04 2.34 2.35 1hrv11 CYS 69 H 0.03 0.17 -0.38 -0.55 8.50 7.78 1hrv11 CYS 69 HA 0.01 0.09 0.41 -0.75 4.58 4.33 1hrv11 CYS 69 HB2 0.02 -0.05 0.08 -0.04 2.97 2.98 1hrv11 CYS 69 HB3 0.06 0.14 -0.07 -0.04 2.97 3.07 1hrv11 PHE 70 H 0.19 0.37 -0.23 -0.55 8.34 8.12 1hrv11 PHE 70 HA 0.02 0.06 0.33 -0.75 4.62 4.27 1hrv11 PHE 70 HB2 0.05 0.03 -0.07 -0.04 3.15 3.11 1hrv11 PHE 70 HB3 0.07 -0.02 0.01 -0.04 3.06 3.08 1hrv11 PHE 70 HD2 0.14 -0.01 -0.05 -0.04 7.28 7.31 1hrv11 PHE 70 HE2 0.06 0.06 -0.01 -0.04 7.38 7.45 1hrv11 PHE 70 HZ 0.03 0.00 -0.00 -0.04 7.32 7.30 1hrv11 LEU 71 H 0.06 0.45 -0.25 -0.55 8.37 8.08 1hrv11 LEU 71 HA -0.18 0.16 0.74 -0.75 4.35 4.31 1hrv11 LEU 71 HB2 -0.06 0.03 -0.02 -0.04 1.64 1.54 1hrv11 LEU 71 HB3 -0.16 -0.07 0.10 -0.04 1.64 1.47 1hrv11 LEU 71 HG 0.22 -0.00 -0.11 -0.04 1.64 1.70 1hrv11 LEU 71 HD13 0.14 -0.01 -0.11 -0.04 0.93 0.91 1hrv11 LEU 71 HD23 -0.02 0.04 -0.20 -0.04 0.89 0.67 1hrv11 GLY 72 H -0.05 0.18 -0.61 -0.55 8.43 7.40 1hrv11 GLY 72 HA2 -0.15 0.30 0.50 -0.51 4.01 4.15 1hrv11 GLY 72 HA3 -0.08 0.05 0.43 -0.51 4.01 3.90 1hrv11 ARG 73 H -0.10 0.23 -0.28 -0.55 8.46 7.75 1hrv11 ARG 73 HA -0.08 0.10 0.83 -0.75 4.34 4.44 1hrv11 ARG 73 HB2 -0.05 0.02 0.03 -0.04 1.90 1.86 1hrv11 ARG 73 HB3 -0.05 -0.01 0.02 -0.04 1.80 1.73 1hrv11 ARG 73 HG2 -0.08 0.04 -0.08 -0.04 1.67 1.52 1hrv11 ARG 73 HG3 -0.08 0.00 -0.08 -0.04 1.67 1.48 1hrv11 ARG 73 HD2 -0.05 0.02 -0.02 -0.04 3.22 3.13 1hrv11 ARG 73 HD3 -0.04 -0.05 -0.03 -0.04 3.22 3.07 1hrv11 ALA 74 H -0.08 0.07 0.07 -0.55 8.40 7.92 1hrv11 ALA 74 HA -0.07 0.19 0.19 -0.75 4.34 3.90 1hrv11 ALA 74 HB3 -0.04 -0.02 -0.03 -0.04 1.41 1.28 1hrv11 ALA 75 H 0.04 0.51 0.36 -0.55 8.40 8.77 1hrv11 ALA 75 HA 0.06 0.10 0.77 -0.75 4.34 4.52 1hrv11 ALA 75 HB3 -0.00 0.02 0.06 -0.04 1.41 1.45 1hrv11 CYS 76 H 0.04 0.12 0.15 -0.55 8.50 8.26 1hrv11 CYS 76 HA -0.57 0.13 0.63 -0.75 4.58 4.02 1hrv11 CYS 76 HB2 -0.13 0.02 0.09 -0.04 2.97 2.91 1hrv11 CYS 76 HB3 -0.11 -0.05 0.14 -0.04 2.97 2.90 1hrv11 VAL 77 H -0.21 0.83 0.51 -0.55 8.24 8.82 1hrv11 VAL 77 HA -0.02 0.11 0.90 -0.75 4.13 4.37 1hrv11 VAL 77 HB 0.14 -0.03 0.18 -0.04 2.12 2.37 1hrv11 VAL 77 HG13 0.03 0.03 -0.11 -0.04 0.97 0.88 1hrv11 VAL 77 HG23 0.21 0.02 -0.16 -0.04 0.95 0.98 1hrv11 HIS 78 H -0.26 0.23 0.15 -0.55 8.41 7.98 1hrv11 HIS 78 HA -0.30 0.07 0.61 -0.75 4.63 4.27 1hrv11 HIS 78 HB2 -0.94 0.17 -0.25 -0.04 3.26 2.21 1hrv11 HIS 78 HB3 -1.04 -0.09 -0.05 -0.04 3.20 1.97 1hrv11 HIS 78 HD2 -0.72 -0.05 -0.23 -0.04 6.97 5.93 1hrv11 HIS 78 HE1 -0.04 0.02 -0.00 -0.04 7.75 7.68 1hrv11 VAL 79 H -0.56 0.25 0.14 -0.55 8.24 7.52 1hrv11 VAL 79 HA -0.41 0.38 1.11 -0.75 4.13 4.46 1hrv11 VAL 79 HB -0.23 -0.03 0.13 -0.04 2.12 1.95 1hrv11 VAL 79 HG13 -0.18 0.02 -0.08 -0.04 0.97 0.69 1hrv11 VAL 79 HG23 -0.21 -0.03 -0.13 -0.04 0.95 0.54 1hrv11 THR 80 H -0.42 0.63 0.29 -0.55 8.28 8.23 1hrv11 THR 80 HA -0.25 0.16 0.68 -0.75 4.39 4.23 1hrv11 THR 80 HB -0.33 -0.02 -0.14 -0.04 4.32 3.79 1hrv11 THR 80 HG23 -0.24 0.00 -0.16 -0.04 1.22 0.78 1hrv11 GLU 81 H -0.06 0.28 0.19 -0.55 8.60 8.46 1hrv11 GLU 81 HA -0.10 0.07 0.60 -0.75 4.29 4.09 1hrv11 GLU 81 HB2 -0.08 0.03 0.25 -0.04 2.09 2.25 1hrv11 GLU 81 HB3 -0.08 -0.09 -0.15 -0.04 1.99 1.63 1hrv11 GLU 81 HG2 -0.04 -0.05 -0.31 -0.04 2.34 1.90 1hrv11 GLU 81 HG3 -0.05 0.16 -0.29 -0.04 2.34 2.12 1hrv11 ILE 82 H -0.05 0.63 0.35 -0.55 8.25 8.64 1hrv11 ILE 82 HA -0.01 0.23 0.74 -0.75 4.18 4.39 1hrv11 ILE 82 HB 0.04 0.15 -0.10 -0.04 1.89 1.94 1hrv11 ILE 82 HG12 -0.03 -0.04 -0.10 -0.04 1.49 1.27 1hrv11 ILE 82 HG13 -0.03 -0.02 -0.23 -0.04 1.21 0.89 1hrv11 ILE 82 HG23 0.13 -0.02 -0.39 -0.04 0.93 0.61 1hrv11 ILE 82 HD13 0.07 -0.03 -0.35 -0.04 0.88 0.53 1hrv11 GLN 83 H -0.06 0.93 0.37 -0.55 8.47 9.17 1hrv11 GLN 83 HA -0.06 0.10 0.93 -0.75 4.36 4.57 1hrv11 GLN 83 HB2 -0.08 0.00 -0.04 -0.04 2.15 1.99 1hrv11 GLN 83 HB3 -0.06 -0.08 0.13 -0.04 2.02 1.97 1hrv11 GLN 83 HG2 -0.06 0.10 0.07 -0.04 2.40 2.46 1hrv11 GLN 83 HG3 -0.09 -0.02 -0.11 -0.04 2.39 2.12 1hrv11 GLN 83 HE21 -0.04 -0.06 -0.09 -0.04 6.97 6.73 1hrv11 GLN 83 HE22 -0.05 0.00 -0.16 -0.04 7.69 7.44 1hrv11 ASN 84 H -0.09 0.54 0.32 -0.55 8.53 8.75 1hrv11 ASN 84 HA -0.25 0.18 0.85 -0.75 4.76 4.79 1hrv11 ASN 84 HB2 -0.12 -0.05 0.02 -0.04 2.88 2.69 1hrv11 ASN 84 HB3 -0.10 -0.09 0.20 -0.04 2.79 2.77 1hrv11 ASN 84 HD21 -0.11 0.40 -0.16 -0.04 7.03 7.12 1hrv11 ASN 84 HD22 -0.08 -0.13 -0.07 -0.04 7.74 7.42 1hrv11 LYS 85 H -0.29 0.41 0.20 -0.55 8.42 8.19 1hrv11 LYS 85 HA -0.13 0.14 0.37 -0.75 4.32 3.94 1hrv11 LYS 85 HB2 -0.14 -0.00 0.10 -0.04 1.87 1.79 1hrv11 LYS 85 HB3 -0.11 0.09 0.02 -0.04 1.79 1.75 1hrv11 LYS 85 HG2 -0.18 -0.00 -0.28 -0.04 1.46 0.95 1hrv11 LYS 85 HG3 -0.16 0.04 -0.27 -0.04 1.46 1.03 1hrv11 LYS 85 HD2 -0.09 -0.02 -0.08 -0.04 1.69 1.46 1hrv11 LYS 85 HD3 -0.09 -0.04 -0.19 -0.04 1.68 1.32 1hrv11 LYS 85 HE2 -0.09 0.15 -0.08 -0.04 2.99 2.93 1hrv11 LYS 85 HE3 -0.12 -0.10 -0.12 -0.04 2.99 2.61 1hrv11 ASP 86 H -0.27 0.21 0.11 -0.55 8.40 7.90 1hrv11 ASP 86 HA -0.48 -0.02 0.60 -0.75 4.63 3.98 1hrv11 ASP 86 HB2 -1.10 0.09 0.12 -0.04 2.71 1.78 1hrv11 ASP 86 HB3 -0.35 0.08 0.17 -0.04 2.70 2.55 1hrv11 ALA 87 H -0.14 0.13 0.24 -0.55 8.40 8.08 1hrv11 ALA 87 HA -0.17 0.18 0.33 -0.75 4.34 3.92 1hrv11 ALA 87 HB3 -0.16 0.00 0.10 -0.04 1.41 1.31 1hrv11 THR 88 H -0.09 -0.04 -0.38 -0.55 8.28 7.22 1hrv11 THR 88 HA 0.04 -0.04 0.54 -0.75 4.39 4.18 1hrv11 THR 88 HB -0.07 0.02 0.04 -0.04 4.32 4.27 1hrv11 THR 88 HG23 0.00 0.01 -0.13 -0.04 1.22 1.06 1hrv11 GLY 89 H 0.05 0.07 0.20 -0.55 8.43 8.21 1hrv11 GLY 89 HA2 0.04 -0.02 0.27 -0.51 4.01 3.80 1hrv11 GLY 89 HA3 0.02 0.06 0.43 -0.51 4.01 4.01 1hrv11 ILE 90 H 0.09 0.50 0.02 -0.55 8.25 8.31 1hrv11 ILE 90 HA 0.05 0.15 0.77 -0.75 4.18 4.39 1hrv11 ILE 90 HB 0.06 -0.07 0.09 -0.04 1.89 1.93 1hrv11 ILE 90 HG12 -0.08 -0.19 0.03 -0.04 1.49 1.22 1hrv11 ILE 90 HG13 -0.06 0.01 -0.08 -0.04 1.21 1.04 1hrv11 ILE 90 HG23 0.04 -0.09 -0.09 -0.04 0.93 0.75 1hrv11 ILE 90 HD13 -0.02 -0.07 -0.69 -0.04 0.88 0.06 1hrv11 ASP 91 H 0.07 0.22 0.13 -0.55 8.40 8.27 1hrv11 ASP 91 HA 0.09 0.18 0.74 -0.75 4.63 4.89 1hrv11 ASP 91 HB2 0.05 0.03 0.09 -0.04 2.71 2.83 1hrv11 ASP 91 HB3 0.05 0.00 0.09 -0.04 2.70 2.80 1hrv11 ASN 92 H 0.14 0.10 -0.34 -0.55 8.53 7.89 1hrv11 ASN 92 HA 0.12 0.15 0.74 -0.75 4.76 5.01 1hrv11 ASN 92 HB2 0.06 0.18 -0.17 -0.04 2.88 2.90 1hrv11 ASN 92 HB3 0.05 0.02 0.04 -0.04 2.79 2.87 1hrv11 ASN 92 HD21 0.02 0.06 0.01 -0.04 7.03 7.09 1hrv11 ASN 92 HD22 0.03 0.09 0.02 -0.04 7.74 7.84 1hrv11 HIS 93 H 0.29 0.30 0.09 -0.55 8.41 8.55 1hrv11 HIS 93 HA 0.09 0.10 0.26 -0.75 4.63 4.33 1hrv11 HIS 93 HB2 0.54 0.20 0.16 -0.04 3.26 4.12 1hrv11 HIS 93 HB3 0.46 0.01 -0.01 -0.04 3.20 3.61 1hrv11 HIS 93 HD2 0.16 -0.08 -0.11 -0.04 6.97 6.89 1hrv11 HIS 93 HE1 0.39 0.03 0.05 -0.04 7.75 8.18 1hrv11 ARG 94 H 0.07 0.14 -0.15 -0.55 8.46 7.97 1hrv11 ARG 94 HA -1.01 0.20 0.36 -0.75 4.34 3.14 1hrv11 ARG 94 HB2 -0.23 0.09 0.05 -0.04 1.90 1.76 1hrv11 ARG 94 HB3 -0.03 -0.07 0.10 -0.04 1.80 1.76 1hrv11 ARG 94 HG2 0.00 0.01 -0.02 -0.04 1.67 1.62 1hrv11 ARG 94 HG3 -0.08 0.02 -0.26 -0.04 1.67 1.31 1hrv11 ARG 94 HD2 -0.35 0.13 0.25 -0.04 3.22 3.21 1hrv11 ARG 94 HD3 -0.37 -0.00 -0.03 -0.04 3.22 2.77 1hrv11 GLU 95 H -0.01 0.00 -0.34 -0.55 8.60 7.71 1hrv11 GLU 95 HA -0.04 0.12 0.43 -0.75 4.29 4.05 1hrv11 GLU 95 HB2 0.02 -0.09 0.11 -0.04 2.09 2.09 1hrv11 GLU 95 HB3 0.01 0.02 -0.05 -0.04 1.99 1.92 1hrv11 GLU 95 HG2 -0.00 0.04 0.13 -0.04 2.34 2.47 1hrv11 GLU 95 HG3 0.00 -0.03 0.02 -0.04 2.34 2.29 1hrv11 ALA 96 H -0.02 0.22 -0.27 -0.55 8.40 7.79 1hrv11 ALA 96 HA -0.03 0.12 0.59 -0.75 4.34 4.26 1hrv11 ALA 96 HB3 -0.04 -0.03 0.05 -0.04 1.41 1.36 1hrv11 LYS 97 H -0.08 0.37 -0.40 -0.55 8.42 7.75 1hrv11 LYS 97 HA -0.08 0.21 0.42 -0.75 4.32 4.12 1hrv11 LYS 97 HB2 -0.04 -0.13 0.37 -0.04 1.87 2.03 1hrv11 LYS 97 HB3 -0.02 0.15 0.26 -0.04 1.79 2.14 1hrv11 LYS 97 HG2 -0.04 0.02 -0.63 -0.04 1.46 0.76 1hrv11 LYS 97 HG3 -0.04 -0.07 -0.13 -0.04 1.46 1.19 1hrv11 LYS 97 HD2 -0.02 0.07 0.08 -0.04 1.69 1.77 1hrv11 LYS 97 HD3 -0.03 0.06 -0.05 -0.04 1.68 1.62 1hrv11 LYS 97 HE2 -0.02 -0.02 -0.04 -0.04 2.99 2.88 1hrv11 LYS 97 HE3 -0.03 -0.04 -0.08 -0.04 2.99 2.80 1hrv11 LEU 98 H -0.08 0.54 -0.02 -0.55 8.37 8.27 1hrv11 LEU 98 HA -0.11 0.24 0.69 -0.75 4.35 4.42 1hrv11 LEU 98 HB2 0.05 -0.01 0.20 -0.04 1.64 1.84 1hrv11 LEU 98 HB3 0.10 -0.09 0.07 -0.04 1.64 1.68 1hrv11 LEU 98 HG -0.17 -0.00 -0.01 -0.04 1.64 1.42 1hrv11 LEU 98 HD13 -0.67 -0.05 0.06 -0.04 0.93 0.22 1hrv11 LEU 98 HD23 -0.33 0.05 0.03 -0.04 0.89 0.60 1hrv11 PHE 99 H -0.12 0.31 0.01 -0.55 8.34 7.99 1hrv11 PHE 99 HA 0.15 0.20 0.65 -0.75 4.62 4.86 1hrv11 PHE 99 HB2 0.36 0.16 0.05 -0.04 3.15 3.68 1hrv11 PHE 99 HB3 0.29 -0.03 -0.24 -0.04 3.06 3.03 1hrv11 PHE 99 HD2 0.41 -0.02 -0.44 -0.04 7.28 7.20 1hrv11 PHE 99 HE2 0.21 0.08 -0.29 -0.04 7.38 7.33 1hrv11 PHE 99 HZ 0.13 0.12 -0.22 -0.04 7.32 7.31 1hrv11 ASN 100 H 0.60 0.67 0.37 -0.55 8.53 9.62 1hrv11 ASN 100 HA 0.13 0.13 0.92 -0.75 4.76 5.18 1hrv11 ASN 100 HB2 0.20 -0.02 -0.29 -0.04 2.88 2.73 1hrv11 ASN 100 HB3 0.37 -0.03 -0.09 -0.04 2.79 2.99 1hrv11 ASN 100 HD21 0.04 -0.04 0.14 -0.04 7.03 7.13 1hrv11 ASN 100 HD22 0.06 0.33 0.12 -0.04 7.74 8.20 1hrv11 ASP 101 H 0.26 0.24 0.25 -0.55 8.40 8.61 1hrv11 ASP 101 HA 0.26 0.38 0.98 -0.75 4.63 5.50 1hrv11 ASP 101 HB2 0.12 -0.08 -0.07 -0.04 2.71 2.64 1hrv11 ASP 101 HB3 0.18 0.05 -0.10 -0.04 2.70 2.79 1hrv11 TRP 102 H 0.21 0.23 0.14 -0.55 7.97 8.00 1hrv11 TRP 102 HA 0.02 0.13 0.79 -0.75 4.62 4.80 1hrv11 TRP 102 HB2 0.16 0.07 -0.16 -0.04 3.23 3.25 1hrv11 TRP 102 HB3 0.04 0.04 0.15 -0.04 3.23 3.42 1hrv11 TRP 102 HD1 -0.36 0.03 -0.13 -0.04 7.22 6.72 1hrv11 TRP 102 HE1 -0.24 0.04 -0.05 -0.04 10.20 9.91 1hrv11 TRP 102 HE3 0.06 0.01 -0.02 -0.04 7.59 7.59 1hrv11 TRP 102 HZ2 -0.02 0.39 0.09 -0.04 7.44 7.86 1hrv11 TRP 102 HZ3 -0.09 0.02 -0.09 -0.04 7.13 6.92 1hrv11 TRP 102 HH2 0.20 0.02 -0.10 -0.04 7.19 7.27 1hrv11 LYS 103 H 0.10 0.20 0.00 -0.55 8.42 8.18 1hrv11 LYS 103 HA -0.17 0.06 0.46 -0.75 4.32 3.91 1hrv11 LYS 103 HB2 0.01 -0.04 0.10 -0.04 1.87 1.90 1hrv11 LYS 103 HB3 -0.03 0.01 0.18 -0.04 1.79 1.91 1hrv11 LYS 103 HG2 -0.10 -0.01 -0.03 -0.04 1.46 1.28 1hrv11 LYS 103 HG3 -0.02 -0.02 0.01 -0.04 1.46 1.38 1hrv11 LYS 103 HD2 -0.04 -0.04 0.01 -0.04 1.69 1.58 1hrv11 LYS 103 HD3 -0.10 0.12 -0.08 -0.04 1.68 1.58 1hrv11 LYS 103 HE2 -0.00 -0.04 -0.00 -0.04 2.99 2.91 1hrv11 LYS 103 HE3 0.01 -0.04 0.01 -0.04 2.99 2.93 1hrv11 ILE 104 H -0.65 0.46 0.27 -0.55 8.25 7.78 1hrv11 ILE 104 HA -2.66 -0.11 0.23 -0.75 4.18 0.89 1hrv11 ILE 104 HB -0.51 0.32 0.07 -0.04 1.89 1.73 1hrv11 ILE 104 HG12 -1.74 -0.10 0.05 -0.04 1.49 -0.34 1hrv11 ILE 104 HG13 -0.66 0.06 0.33 -0.04 1.21 0.90 1hrv11 ILE 104 HG23 -0.60 -0.03 -0.25 -0.04 0.93 0.01 1hrv11 ILE 104 HD13 -0.36 0.01 -0.21 -0.04 0.88 0.27 1hrv11 ASN 105 H -0.38 0.25 0.20 -0.55 8.53 8.05 1hrv11 ASN 105 HA -0.15 0.15 0.50 -0.75 4.76 4.51 1hrv11 ASN 105 HB2 -0.03 -0.19 0.16 -0.04 2.88 2.78 1hrv11 ASN 105 HB3 -0.08 0.29 -0.06 -0.04 2.79 2.91 1hrv11 ASN 105 HD21 0.28 -0.04 -0.06 -0.04 7.03 7.16 1hrv11 ASN 105 HD22 0.10 0.30 -0.14 -0.04 7.74 7.96 1hrv11 LEU 106 H -0.04 0.16 0.15 -0.55 8.37 8.08 1hrv11 LEU 106 HA 0.06 0.19 0.76 -0.75 4.35 4.61 1hrv11 LEU 106 HB2 -0.10 -0.01 -0.05 -0.04 1.64 1.44 1hrv11 LEU 106 HB3 -0.07 0.05 0.00 -0.04 1.64 1.58 1hrv11 LEU 106 HG -0.19 -0.00 0.04 -0.04 1.64 1.44 1hrv11 LEU 106 HD13 -0.18 0.04 -0.19 -0.04 0.93 0.56 1hrv11 LEU 106 HD23 -0.38 0.01 -0.11 -0.04 0.89 0.36 1hrv11 SER 107 H -0.01 0.02 0.02 -0.55 8.46 7.95 1hrv11 SER 107 HA -0.10 0.31 0.89 -0.75 4.49 4.83 1hrv11 SER 107 HB2 -0.17 0.10 0.16 -0.04 3.95 4.00 1hrv11 SER 107 HB3 -0.10 0.01 -0.04 -0.04 3.93 3.76 1hrv11 SER 108 H 0.04 0.10 -0.16 -0.55 8.46 7.89 1hrv11 SER 108 HA 0.02 0.10 0.62 -0.75 4.49 4.48 1hrv11 SER 108 HB2 0.16 -0.03 0.04 -0.04 3.95 4.08 1hrv11 SER 108 HB3 0.10 0.07 0.14 -0.04 3.93 4.20 1hrv11 LEU 109 H 0.01 0.12 0.06 -0.55 8.37 8.01 1hrv11 LEU 109 HA -0.01 0.09 0.56 -0.75 4.35 4.23 1hrv11 LEU 109 HB2 -0.03 0.08 0.06 -0.04 1.64 1.71 1hrv11 LEU 109 HB3 -0.03 -0.05 0.07 -0.04 1.64 1.60 1hrv11 LEU 109 HG 0.00 -0.03 -0.07 -0.04 1.64 1.50 1hrv11 LEU 109 HD13 -0.09 -0.03 -0.47 -0.04 0.93 0.29 1hrv11 LEU 109 HD23 -0.04 0.01 -0.11 -0.04 0.89 0.71 1hrv11 VAL 110 H -0.00 0.14 0.12 -0.55 8.24 7.95 1hrv11 VAL 110 HA -0.11 0.21 0.60 -0.75 4.13 4.08 1hrv11 VAL 110 HB 0.18 0.03 0.06 -0.04 2.12 2.35 1hrv11 VAL 110 HG13 0.03 0.04 -0.10 -0.04 0.97 0.89 1hrv11 VAL 110 HG23 0.09 0.01 -0.06 -0.04 0.95 0.94 1hrv11 GLN 111 H 0.00 0.08 0.03 -0.55 8.47 8.04 1hrv11 GLN 111 HA 0.03 0.14 0.49 -0.75 4.36 4.27 1hrv11 GLN 111 HB2 -0.00 -0.05 0.17 -0.04 2.15 2.22 1hrv11 GLN 111 HB3 -0.01 0.09 0.01 -0.04 2.02 2.07 1hrv11 GLN 111 HG2 0.02 0.07 0.06 -0.04 2.40 2.50 1hrv11 GLN 111 HG3 0.02 -0.05 0.06 -0.04 2.39 2.38 1hrv11 GLN 111 HE21 0.01 0.01 0.01 -0.04 6.97 6.96 1hrv11 GLN 111 HE22 0.02 0.02 0.01 -0.04 7.69 7.70 1hrv11 LEU 112 H -0.02 0.10 -0.09 -0.55 8.37 7.81 1hrv11 LEU 112 HA -0.06 0.11 0.49 -0.75 4.35 4.14 1hrv11 LEU 112 HB2 -0.04 0.00 0.09 -0.04 1.64 1.65 1hrv11 LEU 112 HB3 -0.03 0.01 0.05 -0.04 1.64 1.62 1hrv11 LEU 112 HG -0.04 0.01 -0.21 -0.04 1.64 1.35 1hrv11 LEU 112 HD13 -0.07 0.01 0.04 -0.04 0.93 0.87 1hrv11 LEU 112 HD23 -0.06 0.01 -0.02 -0.04 0.89 0.78 1hrv11 ARG 113 H -0.04 0.07 -0.39 -0.55 8.46 7.54 1hrv11 ARG 113 HA -0.04 0.03 0.34 -0.75 4.34 3.92 1hrv11 ARG 113 HB2 -0.16 0.11 0.16 -0.04 1.90 1.97 1hrv11 ARG 113 HB3 -0.23 -0.02 0.10 -0.04 1.80 1.61 1hrv11 ARG 113 HG2 -0.18 0.02 -0.19 -0.04 1.67 1.28 1hrv11 ARG 113 HG3 -0.16 -0.04 0.04 -0.04 1.67 1.47 1hrv11 ARG 113 HD2 -0.35 -0.04 0.03 -0.04 3.22 2.83 1hrv11 ARG 113 HD3 -1.02 -0.01 -0.09 -0.04 3.22 2.05 1hrv11 LYS 114 H 0.08 0.51 -0.12 -0.55 8.42 8.33 1hrv11 LYS 114 HA 0.22 0.02 0.36 -0.75 4.32 4.17 1hrv11 LYS 114 HB2 0.22 -0.01 0.11 -0.04 1.87 2.15 1hrv11 LYS 114 HB3 0.11 0.08 0.14 -0.04 1.79 2.08 1hrv11 LYS 114 HG2 0.09 0.02 -0.26 -0.04 1.46 1.27 1hrv11 LYS 114 HG3 0.10 -0.11 0.08 -0.04 1.46 1.49 1hrv11 LYS 114 HD2 0.08 -0.01 0.01 -0.04 1.69 1.72 1hrv11 LYS 114 HD3 0.07 -0.04 -0.02 -0.04 1.68 1.65 1hrv11 LYS 114 HE2 0.03 -0.21 0.06 -0.04 2.99 2.83 1hrv11 LYS 114 HE3 0.01 0.19 0.06 -0.04 2.99 3.22 1hrv11 LYS 115 H 0.03 0.29 -0.26 -0.55 8.42 7.93 1hrv11 LYS 115 HA 0.13 0.00 0.36 -0.75 4.32 4.06 1hrv11 LYS 115 HB2 -0.10 0.12 0.20 -0.04 1.87 2.05 1hrv11 LYS 115 HB3 -0.24 -0.03 -0.03 -0.04 1.79 1.44 1hrv11 LYS 115 HG2 -0.09 -0.05 0.03 -0.04 1.46 1.31 1hrv11 LYS 115 HG3 -0.13 0.05 0.05 -0.04 1.46 1.39 1hrv11 LYS 115 HD2 -1.37 0.03 -0.03 -0.04 1.69 0.28 1hrv11 LYS 115 HD3 -0.76 -0.05 0.01 -0.04 1.68 0.84 1hrv11 LYS 115 HE2 -0.21 -0.09 -0.02 -0.04 2.99 2.62 1hrv11 LYS 115 HE3 -0.27 -0.04 0.03 -0.04 2.99 2.67 1hrv11 LEU 116 H 0.06 0.51 -0.04 -0.55 8.37 8.35 1hrv11 LEU 116 HA 0.29 -0.01 0.31 -0.75 4.35 4.19 1hrv11 LEU 116 HB2 0.07 0.11 0.07 -0.04 1.64 1.84 1hrv11 LEU 116 HB3 0.17 -0.05 -0.07 -0.04 1.64 1.65 1hrv11 LEU 116 HG 0.08 -0.03 -0.06 -0.04 1.64 1.58 1hrv11 LEU 116 HD13 0.27 -0.02 -0.07 -0.04 0.93 1.07 1hrv11 LEU 116 HD23 0.01 0.07 -0.03 -0.04 0.89 0.90 1hrv11 GLU 117 H 0.11 0.49 -0.39 -0.55 8.60 8.27 1hrv11 GLU 117 HA 0.25 0.19 0.50 -0.75 4.29 4.48 1hrv11 GLU 117 HB2 0.25 0.01 0.09 -0.04 2.09 2.40 1hrv11 GLU 117 HB3 0.60 -0.04 0.17 -0.04 1.99 2.67 1hrv11 GLU 117 HG2 -0.17 -0.01 -0.02 -0.04 2.34 2.10 1hrv11 GLU 117 HG3 0.03 0.21 0.05 -0.04 2.34 2.59 1hrv11 LEU 118 H -0.04 0.29 -0.81 -0.55 8.37 7.26 1hrv11 LEU 118 HA -0.15 0.10 0.53 -0.75 4.35 4.08 1hrv11 LEU 118 HB2 -0.15 0.27 0.12 -0.04 1.64 1.84 1hrv11 LEU 118 HB3 -0.98 -0.07 -0.03 -0.04 1.64 0.52 1hrv11 LEU 118 HG -0.30 -0.08 0.06 -0.04 1.64 1.28 1hrv11 LEU 118 HD13 -0.06 0.02 0.01 -0.04 0.93 0.86 1hrv11 LEU 118 HD23 0.06 -0.02 0.02 -0.04 0.89 0.91 1hrv11 PHE 119 H 0.01 0.40 -0.15 -0.55 8.34 8.05 1hrv11 PHE 119 HA 0.12 0.13 0.57 -0.75 4.62 4.68 1hrv11 PHE 119 HB2 0.19 0.08 -0.07 -0.04 3.15 3.31 1hrv11 PHE 119 HB3 0.17 0.00 -0.01 -0.04 3.06 3.18 1hrv11 PHE 119 HD2 0.13 0.05 -0.16 -0.04 7.28 7.25 1hrv11 PHE 119 HE2 0.15 -0.01 -0.10 -0.04 7.38 7.38 1hrv11 PHE 119 HZ 0.03 -0.03 -0.07 -0.04 7.32 7.21 1hrv11 THR 120 H 0.24 0.55 0.33 -0.55 8.28 8.85 1hrv11 THR 120 HA 0.29 0.12 0.79 -0.75 4.39 4.83 1hrv11 THR 120 HB -0.27 -0.02 0.14 -0.04 4.32 4.13 1hrv11 THR 120 HG23 -0.58 -0.05 -0.08 -0.04 1.22 0.47 1hrv11 TYR 121 H 0.28 0.37 0.29 -0.55 8.29 8.68 1hrv11 TYR 121 HA 0.24 0.25 1.01 -0.75 4.56 5.31 1hrv11 TYR 121 HB2 0.40 -0.09 -0.01 -0.04 3.06 3.31 1hrv11 TYR 121 HB3 0.12 -0.01 -0.06 -0.04 2.98 3.00 1hrv11 TYR 121 HD2 0.11 0.01 -0.05 -0.04 7.15 7.18 1hrv11 TYR 121 HE2 0.06 0.00 -0.04 -0.04 6.85 6.83 1hrv11 VAL 122 H 0.38 0.54 0.32 -0.55 8.24 8.94 1hrv11 VAL 122 HA 0.24 0.26 0.86 -0.75 4.13 4.73 1hrv11 VAL 122 HB 0.34 -0.02 -0.36 -0.04 2.12 2.03 1hrv11 VAL 122 HG13 0.36 -0.01 -0.13 -0.04 0.97 1.15 1hrv11 VAL 122 HG23 0.30 0.03 -0.07 -0.04 0.95 1.17 1hrv11 ARG 123 H 0.10 0.62 0.39 -0.55 8.46 9.01 1hrv11 ARG 123 HA -0.45 0.04 0.74 -0.75 4.34 3.91 1hrv11 ARG 123 HB2 -0.04 -0.02 0.06 -0.04 1.90 1.86 1hrv11 ARG 123 HB3 0.02 -0.02 0.18 -0.04 1.80 1.93 1hrv11 ARG 123 HG2 -0.68 -0.01 -0.06 -0.04 1.67 0.88 1hrv11 ARG 123 HG3 -2.04 -0.00 0.09 -0.04 1.67 -0.33 1hrv11 ARG 123 HD2 -0.39 0.45 0.16 -0.04 3.22 3.39 1hrv11 ARG 123 HD3 -0.06 -0.10 0.02 -0.04 3.22 3.03 1hrv11 PHE 124 H -0.36 0.25 0.17 -0.55 8.34 7.85 1hrv11 PHE 124 HA 0.04 0.31 0.41 -0.75 4.62 4.63 1hrv11 PHE 124 HB2 0.05 0.09 -0.09 -0.04 3.15 3.16 1hrv11 PHE 124 HB3 0.04 -0.01 -0.17 -0.04 3.06 2.88 1hrv11 PHE 124 HD2 0.18 0.04 -0.48 -0.04 7.28 6.98 1hrv11 PHE 124 HE2 0.23 0.01 -0.19 -0.04 7.38 7.39 1hrv11 PHE 124 HZ 0.02 0.00 -0.15 -0.04 7.32 7.16 1hrv11 ASP 125 H 0.22 0.77 0.35 -0.55 8.40 9.20 1hrv11 ASP 125 HA 0.25 0.13 0.72 -0.75 4.63 4.98 1hrv11 ASP 125 HB2 -0.03 0.01 0.06 -0.04 2.71 2.71 1hrv11 ASP 125 HB3 0.11 0.07 0.01 -0.04 2.70 2.85 1hrv11 SER 126 H 0.17 0.51 0.27 -0.55 8.46 8.86 1hrv11 SER 126 HA -0.24 0.34 1.11 -0.75 4.49 4.95 1hrv11 SER 126 HB2 0.17 -0.05 0.04 -0.04 3.95 4.07 1hrv11 SER 126 HB3 -0.34 -0.02 -0.08 -0.04 3.93 3.46 1hrv11 GLU 127 H -0.49 0.72 0.31 -0.55 8.60 8.60 1hrv11 GLU 127 HA -0.19 0.22 1.04 -0.75 4.29 4.60 1hrv11 GLU 127 HB2 -0.16 -0.02 -0.07 -0.04 2.09 1.80 1hrv11 GLU 127 HB3 -0.24 0.01 0.10 -0.04 1.99 1.82 1hrv11 GLU 127 HG2 -0.18 0.08 -0.27 -0.04 2.34 1.93 1hrv11 GLU 127 HG3 -0.11 -0.01 -0.08 -0.04 2.34 2.09 1hrv11 TYR 128 H -0.36 0.44 0.26 -0.55 8.29 8.07 1hrv11 TYR 128 HA -0.13 0.33 1.02 -0.75 4.56 5.02 1hrv11 TYR 128 HB2 -1.04 -0.03 0.06 -0.04 3.06 2.01 1hrv11 TYR 128 HB3 -0.24 -0.02 -0.12 -0.04 2.98 2.56 1hrv11 TYR 128 HD2 0.03 0.04 -0.10 -0.04 7.15 7.07 1hrv11 TYR 128 HE2 0.31 -0.01 -0.16 -0.04 6.85 6.95 1hrv11 THR 129 H 0.10 0.49 0.30 -0.55 8.28 8.63 1hrv11 THR 129 HA -0.04 0.34 0.91 -0.75 4.39 4.85 1hrv11 THR 129 HB 0.02 -0.08 0.12 -0.04 4.32 4.33 1hrv11 THR 129 HG23 -0.08 -0.01 -0.10 -0.04 1.22 0.99 1hrv11 ILE 130 H -0.05 0.62 0.28 -0.55 8.25 8.56 1hrv11 ILE 130 HA 0.15 0.31 1.12 -0.75 4.18 5.00 1hrv11 ILE 130 HB -0.21 -0.09 0.13 -0.04 1.89 1.69 1hrv11 ILE 130 HG12 0.21 0.01 -0.18 -0.04 1.49 1.49 1hrv11 ILE 130 HG13 0.16 -0.00 -0.28 -0.04 1.21 1.05 1hrv11 ILE 130 HG23 0.24 -0.00 -0.24 -0.04 0.93 0.88 1hrv11 ILE 130 HD13 0.39 0.00 -0.17 -0.04 0.88 1.06 1hrv11 LEU 131 H 0.19 0.57 0.31 -0.55 8.37 8.89 1hrv11 LEU 131 HA 0.10 0.21 0.76 -0.75 4.35 4.66 1hrv11 LEU 131 HB2 0.05 -0.01 -0.02 -0.04 1.64 1.62 1hrv11 LEU 131 HB3 0.25 0.00 0.16 -0.04 1.64 2.01 1hrv11 LEU 131 HG 0.08 -0.03 -0.29 -0.04 1.64 1.35 1hrv11 LEU 131 HD13 0.05 0.01 -0.09 -0.04 0.93 0.86 1hrv11 LEU 131 HD23 0.05 -0.01 -0.06 -0.04 0.89 0.82 1hrv11 ALA 132 H 0.20 0.48 0.21 -0.55 8.40 8.74 1hrv11 ALA 132 HA 0.05 0.31 0.89 -0.75 4.34 4.84 1hrv11 ALA 132 HB3 0.19 -0.01 -0.05 -0.04 1.41 1.51 1hrv11 THR 133 H 0.00 0.49 0.31 -0.55 8.28 8.53 1hrv11 THR 133 HA 0.02 0.11 0.90 -0.75 4.39 4.67 1hrv11 THR 133 HB 0.00 0.06 0.06 -0.04 4.32 4.41 1hrv11 THR 133 HG23 0.03 -0.01 -0.15 -0.04 1.22 1.05 1hrv11 ALA 134 H 0.00 0.18 0.19 -0.55 8.40 8.23 1hrv11 ALA 134 HA -0.02 0.34 1.17 -0.75 4.34 5.08 1hrv11 ALA 134 HB3 -0.00 -0.01 0.04 -0.04 1.41 1.40 1hrv11 SER 135 H -0.02 0.79 0.43 -0.55 8.46 9.11 1hrv11 SER 135 HA -0.03 0.10 0.76 -0.75 4.49 4.57 1hrv11 SER 135 HB2 -0.03 0.03 -0.10 -0.04 3.95 3.81 1hrv11 SER 135 HB3 -0.03 -0.03 0.09 -0.04 3.93 3.91 1hrv11 GLN 136 H -0.04 0.19 -0.02 -0.55 8.47 8.06 1hrv11 GLN 136 HA -0.05 0.20 0.81 -0.75 4.36 4.57 1hrv11 GLN 136 HB2 -0.09 -0.05 -0.07 -0.04 2.15 1.90 1hrv11 GLN 136 HB3 -0.14 -0.02 0.14 -0.04 2.02 1.95 1hrv11 GLN 136 HG2 -0.31 0.01 0.06 -0.04 2.40 2.12 1hrv11 GLN 136 HG3 -0.04 0.16 0.26 -0.04 2.39 2.73 1hrv11 GLN 136 HE21 0.03 -0.34 0.22 -0.04 6.97 6.83 1hrv11 GLN 136 HE22 -0.21 0.01 0.01 -0.04 7.69 7.47 1hrv11 PRO 137 HA -0.04 0.06 0.37 -0.51 4.44 4.32 1hrv11 PRO 137 HB2 -0.03 0.04 0.02 -0.04 2.28 2.27 1hrv11 PRO 137 HB3 -0.03 -0.00 0.07 -0.04 2.02 2.02 1hrv11 PRO 137 HG2 -0.03 0.07 -0.08 -0.04 2.03 1.95 1hrv11 PRO 137 HG3 -0.03 0.05 -0.03 -0.04 2.03 1.98 1hrv11 PRO 137 HD2 -0.03 0.18 0.05 -0.04 3.68 3.83 1hrv11 PRO 137 HD3 -0.03 0.07 -0.13 -0.04 3.65 3.52 1hrv11 ASP 138 H -0.05 0.15 -0.40 -0.55 8.40 7.55 1hrv11 ASP 138 HA -0.04 0.27 1.17 -0.75 4.63 5.28 1hrv11 ASP 138 HB2 -0.03 0.03 -0.08 -0.04 2.71 2.59 1hrv11 ASP 138 HB3 -0.03 0.04 0.05 -0.04 2.70 2.73 1hrv11 SER 139 H -0.05 0.14 0.07 -0.55 8.46 8.08 1hrv11 SER 139 HA -0.07 0.00 0.41 -0.75 4.49 4.08 1hrv11 SER 139 HB2 -0.03 -0.02 -0.01 -0.04 3.95 3.85 1hrv11 SER 139 HB3 -0.03 0.04 0.02 -0.04 3.93 3.92 1hrv11 ALA 140 H -0.14 0.23 0.12 -0.55 8.40 8.07 1hrv11 ALA 140 HA -0.20 0.13 0.84 -0.75 4.34 4.35 1hrv11 ALA 140 HB3 -0.77 0.03 0.05 -0.04 1.41 0.68 1hrv11 ASN 141 H -0.24 0.11 0.17 -0.55 8.53 8.03 1hrv11 ASN 141 HA -0.04 0.15 0.62 -0.75 4.76 4.74 1hrv11 ASN 141 HB2 -0.03 -0.06 0.12 -0.04 2.88 2.88 1hrv11 ASN 141 HB3 0.16 0.03 0.01 -0.04 2.79 2.95 1hrv11 ASN 141 HD21 0.02 0.02 0.00 -0.04 7.03 7.04 1hrv11 ASN 141 HD22 0.06 -0.02 0.03 -0.04 7.74 7.77 1hrv11 TYR 142 H -0.49 0.08 -0.05 -0.55 8.29 7.29 1hrv11 TYR 142 HA -0.05 0.16 0.48 -0.75 4.56 4.40 1hrv11 TYR 142 HB2 0.01 0.03 0.04 -0.04 3.06 3.10 1hrv11 TYR 142 HB3 0.00 0.12 -0.32 -0.04 2.98 2.75 1hrv11 TYR 142 HD2 0.06 0.04 -0.51 -0.04 7.15 6.70 1hrv11 TYR 142 HE2 0.07 -0.01 -0.10 -0.04 6.85 6.77 1hrv11 SER 143 H 0.21 0.22 0.09 -0.55 8.46 8.43 1hrv11 SER 143 HA 0.04 0.10 0.72 -0.75 4.49 4.60 1hrv11 SER 143 HB2 0.03 -0.01 0.04 -0.04 3.95 3.97 1hrv11 SER 143 HB3 0.07 0.01 0.11 -0.04 3.93 4.08 1hrv11 SER 144 H 0.23 0.10 0.05 -0.55 8.46 8.29 1hrv11 SER 144 HA 0.21 0.10 0.26 -0.75 4.49 4.31 1hrv11 SER 144 HB2 0.13 0.03 -0.07 -0.04 3.95 4.01 1hrv11 SER 144 HB3 0.42 -0.00 -0.04 -0.04 3.93 4.27 1hrv11 ASN 145 H 0.03 0.16 0.09 -0.55 8.53 8.26 1hrv11 ASN 145 HA 0.03 0.23 1.15 -0.75 4.76 5.42 1hrv11 ASN 145 HB2 0.01 -0.00 0.02 -0.04 2.88 2.86 1hrv11 ASN 145 HB3 0.02 0.07 0.07 -0.04 2.79 2.91 1hrv11 ASN 145 HD21 -0.03 -0.01 0.07 -0.04 7.03 7.03 1hrv11 ASN 145 HD22 -0.00 0.02 0.16 -0.04 7.74 7.87 1hrv11 LEU 146 H 0.01 0.24 0.03 -0.55 8.37 8.09 1hrv11 LEU 146 HA -0.01 0.04 0.54 -0.75 4.35 4.17 1hrv11 LEU 146 HB2 -0.03 -0.02 0.01 -0.04 1.64 1.56 1hrv11 LEU 146 HB3 -0.04 0.04 -0.06 -0.04 1.64 1.53 1hrv11 LEU 146 HG 0.02 0.06 -0.20 -0.04 1.64 1.47 1hrv11 LEU 146 HD13 -0.02 0.01 -0.10 -0.04 0.93 0.78 1hrv11 LEU 146 HD23 -0.02 0.01 -0.18 -0.04 0.89 0.66 1hrv11 VAL 147 H -0.01 0.11 0.23 -0.55 8.24 8.02 1hrv11 VAL 147 HA -0.07 0.24 0.86 -0.75 4.13 4.40 1hrv11 VAL 147 HB 0.04 -0.10 0.16 -0.04 2.12 2.18 1hrv11 VAL 147 HG13 0.12 0.04 -0.16 -0.04 0.97 0.93 1hrv11 VAL 147 HG23 0.02 0.01 -0.16 -0.04 0.95 0.78 1hrv11 VAL 148 H -0.39 0.50 0.25 -0.55 8.24 8.05 1hrv11 VAL 148 HA -0.12 0.17 0.88 -0.75 4.13 4.31 1hrv11 VAL 148 HB -1.19 -0.01 0.03 -0.04 2.12 0.91 1hrv11 VAL 148 HG13 0.05 0.01 -0.22 -0.04 0.97 0.77 1hrv11 VAL 148 HG23 -0.26 -0.02 -0.16 -0.04 0.95 0.47 1hrv11 GLN 149 H -0.05 0.80 0.32 -0.55 8.47 8.99 1hrv11 GLN 149 HA -0.31 0.23 0.95 -0.75 4.36 4.47 1hrv11 GLN 149 HB2 -0.14 -0.01 -0.06 -0.04 2.15 1.90 1hrv11 GLN 149 HB3 -0.19 -0.04 -0.00 -0.04 2.02 1.75 1hrv11 GLN 149 HG2 0.27 -0.07 -0.47 -0.04 2.40 2.09 1hrv11 GLN 149 HG3 -0.35 0.04 -0.22 -0.04 2.39 1.83 1hrv11 GLN 149 HE21 0.35 0.66 0.03 -0.04 6.97 7.98 1hrv11 GLN 149 HE22 0.18 -0.06 -0.18 -0.04 7.69 7.59 1hrv11 ALA 150 H -0.06 0.46 0.20 -0.55 8.40 8.45 1hrv11 ALA 150 HA 0.09 0.53 1.15 -0.75 4.34 5.36 1hrv11 ALA 150 HB3 0.18 -0.04 -0.05 -0.04 1.41 1.46 1hrv11 MET 151 H 0.02 0.82 0.41 -0.55 8.47 9.17 1hrv11 MET 151 HA -0.05 0.26 0.87 -0.75 4.52 4.85 1hrv11 MET 151 HB2 0.03 0.03 -0.19 -0.04 2.15 1.97 1hrv11 MET 151 HB3 -0.24 -0.08 0.00 -0.04 2.03 1.68 1hrv11 MET 151 HG2 -0.27 -0.03 -0.39 -0.04 2.63 1.90 1hrv11 MET 151 HG3 -0.14 0.09 -0.10 -0.04 2.56 2.37 1hrv11 MET 151 HE3 -0.42 0.01 -0.07 -0.04 2.10 1.57 1hrv11 TYR 152 H -0.00 0.38 0.10 -0.55 8.29 8.22 1hrv11 TYR 152 HA -0.16 0.13 0.92 -0.75 4.56 4.70 1hrv11 TYR 152 HB2 -0.13 -0.02 0.02 -0.04 3.06 2.89 1hrv11 TYR 152 HB3 -0.12 0.04 0.20 -0.04 2.98 3.06 1hrv11 TYR 152 HD2 -0.12 0.04 -0.06 -0.04 7.15 6.97 1hrv11 TYR 152 HE2 -0.12 0.04 -0.06 -0.04 6.85 6.67 1hrv11 VAL 153 H -0.15 0.53 0.20 -0.55 8.24 8.27 1hrv11 VAL 153 HA -0.34 0.15 0.71 -0.75 4.13 3.89 1hrv11 VAL 153 HB -0.21 -0.07 0.18 -0.04 2.12 1.98 1hrv11 VAL 153 HG13 -0.23 0.01 -0.23 -0.04 0.97 0.48 1hrv11 VAL 153 HG23 -0.33 -0.02 -0.13 -0.04 0.95 0.43 1hrv11 PRO 154 HA -0.54 0.11 0.23 -0.51 4.44 3.73 1hrv11 PRO 154 HB2 -0.26 0.03 -0.13 -0.04 2.28 1.87 1hrv11 PRO 154 HB3 -0.44 0.08 0.03 -0.04 2.02 1.65 1hrv11 PRO 154 HG2 -0.30 -0.02 -0.02 -0.04 2.03 1.66 1hrv11 PRO 154 HG3 -0.57 0.07 0.01 -0.04 2.03 1.50 1hrv11 PRO 154 HD2 -0.38 0.01 0.23 -0.04 3.68 3.49 1hrv11 PRO 154 HD3 -0.78 0.59 -0.18 -0.04 3.65 3.24 1hrv11 PRO 155 HA -0.13 0.04 0.46 -0.51 4.44 4.31 1hrv11 PRO 155 HB2 0.04 0.04 0.16 -0.04 2.28 2.48 1hrv11 PRO 155 HB3 -0.08 -0.00 0.07 -0.04 2.02 1.97 1hrv11 PRO 155 HG2 -0.05 0.08 0.07 -0.04 2.03 2.09 1hrv11 PRO 155 HG3 -0.31 0.05 -0.07 -0.04 2.03 1.66 1hrv11 PRO 155 HD2 -0.16 0.14 0.09 -0.04 3.68 3.71 1hrv11 PRO 155 HD3 -0.20 0.15 -0.04 -0.04 3.65 3.51 1hrv11 GLY 156 H -0.10 0.29 0.27 -0.55 8.43 8.35 1hrv11 GLY 156 HA2 -0.04 -0.04 0.28 -0.51 4.01 3.69 1hrv11 GLY 156 HA3 -0.05 0.19 0.81 -0.51 4.01 4.45 1hrv11 ALA 157 H -0.14 0.38 -0.09 -0.55 8.40 8.01 1hrv11 ALA 157 HA -0.10 0.11 0.61 -0.75 4.34 4.21 1hrv11 ALA 157 HB3 -0.19 0.02 -0.02 -0.04 1.41 1.18 1hrv11 PRO 158 HA -0.08 0.04 0.45 -0.51 4.44 4.34 1hrv11 PRO 158 HB2 -0.24 -0.06 -0.16 -0.04 2.28 1.78 1hrv11 PRO 158 HB3 0.03 0.00 0.05 -0.04 2.02 2.06 1hrv11 PRO 158 HG2 -0.10 -0.00 0.06 -0.04 2.03 1.95 1hrv11 PRO 158 HG3 0.06 0.03 0.06 -0.04 2.03 2.14 1hrv11 PRO 158 HD2 -0.12 0.11 0.19 -0.04 3.68 3.82 1hrv11 PRO 158 HD3 -0.06 0.18 0.19 -0.04 3.65 3.92 1hrv11 ASN 159 H -0.12 0.13 0.17 -0.55 8.53 8.16 1hrv11 ASN 159 HA -0.25 0.16 0.60 -0.75 4.76 4.51 1hrv11 ASN 159 HB2 -0.07 -0.08 0.07 -0.04 2.88 2.75 1hrv11 ASN 159 HB3 -0.07 0.09 -0.13 -0.04 2.79 2.64 1hrv11 ASN 159 HD21 -0.09 0.01 -0.02 -0.04 7.03 6.88 1hrv11 ASN 159 HD22 -0.11 -0.00 -0.01 -0.04 7.74 7.57 1hrv11 PRO 160 HA -0.56 -0.15 0.25 -0.51 4.44 3.46 1hrv11 PRO 160 HB2 -0.93 0.04 -0.18 -0.04 2.28 1.18 1hrv11 PRO 160 HB3 -1.12 0.02 -0.05 -0.04 2.02 0.82 1hrv11 PRO 160 HG2 -0.84 0.07 -0.08 -0.04 2.03 1.14 1hrv11 PRO 160 HG3 -1.29 0.06 -0.06 -0.04 2.03 0.70 1hrv11 PRO 160 HD2 -0.19 0.10 -0.00 -0.04 3.68 3.54 1hrv11 PRO 160 HD3 -0.35 0.18 0.14 -0.04 3.65 3.59 1hrv11 LYS 161 H -0.21 -0.11 0.22 -0.55 8.42 7.76 1hrv11 LYS 161 HA 0.14 0.24 0.96 -0.75 4.32 4.91 1hrv11 LYS 161 HB2 -0.04 -0.07 0.14 -0.04 1.87 1.86 1hrv11 LYS 161 HB3 0.02 -0.03 0.05 -0.04 1.79 1.79 1hrv11 LYS 161 HG2 0.07 -0.02 0.11 -0.04 1.46 1.59 1hrv11 LYS 161 HG3 -0.01 0.23 -0.24 -0.04 1.46 1.40 1hrv11 LYS 161 HD2 0.01 -0.04 0.01 -0.04 1.69 1.63 1hrv11 LYS 161 HD3 0.03 -0.03 0.03 -0.04 1.68 1.66 1hrv11 LYS 161 HE2 -0.01 0.06 -0.01 -0.04 2.99 3.00 1hrv11 LYS 161 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 1hrv11 GLU 162 H -0.05 -0.06 0.21 -0.55 8.60 8.15 1hrv11 GLU 162 HA 0.09 0.19 0.84 -0.75 4.29 4.65 1hrv11 GLU 162 HB2 -0.07 -0.07 0.06 -0.04 2.09 1.97 1hrv11 GLU 162 HB3 -0.07 0.01 0.12 -0.04 1.99 2.01 1hrv11 GLU 162 HG2 -0.65 0.07 0.00 -0.04 2.34 1.73 1hrv11 GLU 162 HG3 -0.14 -0.05 -0.34 -0.04 2.34 1.77 1hrv11 TRP 163 H 1.35 0.18 0.11 -0.55 7.97 9.06 1hrv11 TRP 163 HA 0.07 0.15 0.31 -0.75 4.62 4.39 1hrv11 TRP 163 HB2 0.03 0.21 0.05 -0.04 3.23 3.49 1hrv11 TRP 163 HB3 0.35 -0.12 -0.03 -0.04 3.23 3.39 1hrv11 TRP 163 HD1 -0.02 -0.12 0.09 -0.04 7.22 7.13 1hrv11 TRP 163 HE1 0.04 -0.06 0.01 -0.04 10.20 10.14 1hrv11 TRP 163 HE3 -0.25 0.04 0.10 -0.04 7.59 7.44 1hrv11 TRP 163 HZ2 0.02 -0.10 -0.01 -0.04 7.44 7.31 1hrv11 TRP 163 HZ3 -0.12 0.22 -0.00 -0.04 7.13 7.19 1hrv11 TRP 163 HH2 -0.03 -0.01 -0.10 -0.04 7.19 7.01 1hrv11 ASP 164 H -0.40 -0.14 -0.46 -0.55 8.40 6.85 1hrv11 ASP 164 HA -0.54 0.30 0.53 -0.75 4.63 4.16 1hrv11 ASP 164 HB2 -2.61 0.08 -0.29 -0.04 2.71 -0.15 1hrv11 ASP 164 HB3 -0.87 -0.08 0.05 -0.04 2.70 1.75 1hrv11 ASP 165 H 0.06 0.12 -0.12 -0.55 8.40 7.92 1hrv11 ASP 165 HA -0.05 0.06 0.37 -0.75 4.63 4.26 1hrv11 ASP 165 HB2 -0.10 0.17 -0.07 -0.04 2.71 2.66 1hrv11 ASP 165 HB3 -0.51 -0.35 -0.26 -0.04 2.70 1.54 1hrv11 TYR 166 H -0.10 0.14 0.15 -0.55 8.29 7.93 1hrv11 TYR 166 HA -0.02 0.18 0.30 -0.75 4.56 4.27 1hrv11 TYR 166 HB2 -0.04 0.06 0.08 -0.04 3.06 3.12 1hrv11 TYR 166 HB3 -0.04 0.03 0.11 -0.04 2.98 3.04 1hrv11 TYR 166 HD2 -0.06 -0.00 -0.05 -0.04 7.15 6.99 1hrv11 TYR 166 HE2 -0.08 0.04 -0.02 -0.04 6.85 6.75 1hrv11 THR 167 H -1.07 -0.03 -0.25 -0.55 8.28 6.39 1hrv11 THR 167 HA -0.50 0.07 0.23 -0.75 4.39 3.44 1hrv11 THR 167 HB -0.73 0.18 -0.18 -0.04 4.32 3.56 1hrv11 THR 167 HG23 -0.78 0.01 -0.29 -0.04 1.22 0.11 1hrv11 TRP 168 H -0.20 0.25 -0.60 -0.55 7.97 6.88 1hrv11 TRP 168 HA -0.12 0.08 0.16 -0.75 4.62 3.99 1hrv11 TRP 168 HB2 -0.14 0.13 -0.12 -0.04 3.23 3.06 1hrv11 TRP 168 HB3 -0.05 0.03 -0.03 -0.04 3.23 3.14 1hrv11 TRP 168 HD1 -0.29 -0.07 -0.27 -0.04 7.22 6.55 1hrv11 TRP 168 HE1 -0.42 0.20 -0.05 -0.04 10.20 9.89 1hrv11 TRP 168 HE3 -0.10 0.03 -0.17 -0.04 7.59 7.31 1hrv11 TRP 168 HZ2 -0.59 -0.06 -0.20 -0.04 7.44 6.55 1hrv11 TRP 168 HZ3 -0.07 0.12 -0.26 -0.04 7.13 6.88 1hrv11 TRP 168 HH2 0.03 -0.02 -0.39 -0.04 7.19 6.76 1hrv11 GLN 169 H 0.01 0.56 -0.48 -0.55 8.47 8.00 1hrv11 GLN 169 HA 0.10 0.03 0.33 -0.75 4.36 4.06 1hrv11 GLN 169 HB2 0.04 -0.03 0.06 -0.04 2.15 2.18 1hrv11 GLN 169 HB3 0.05 -0.05 -0.04 -0.04 2.02 1.94 1hrv11 GLN 169 HG2 0.06 -0.02 0.03 -0.04 2.40 2.42 1hrv11 GLN 169 HG3 0.07 0.10 0.12 -0.04 2.39 2.65 1hrv11 GLN 169 HE21 0.06 -0.04 0.01 -0.04 6.97 6.96 1hrv11 GLN 169 HE22 0.09 -0.01 0.03 -0.04 7.69 7.75 1hrv11 SER 170 H -0.04 0.30 -0.17 -0.55 8.46 8.01 1hrv11 SER 170 HA -0.06 -0.08 0.32 -0.75 4.49 3.92 1hrv11 SER 170 HB2 -0.06 -0.04 0.01 -0.04 3.95 3.82 1hrv11 SER 170 HB3 0.06 0.12 -0.52 -0.04 3.93 3.54 1hrv11 ALA 171 H 0.00 0.03 -0.07 -0.55 8.40 7.81 1hrv11 ALA 171 HA 0.03 0.22 0.32 -0.75 4.34 4.15 1hrv11 ALA 171 HB3 0.01 -0.01 0.00 -0.04 1.41 1.37 1hrv11 SER 172 H -0.02 -0.02 -0.11 -0.55 8.46 7.76 1hrv11 SER 172 HA -0.01 0.26 0.91 -0.75 4.49 4.90 1hrv11 SER 172 HB2 -0.03 -0.08 0.02 -0.04 3.95 3.82 1hrv11 SER 172 HB3 -0.03 0.04 0.04 -0.04 3.93 3.93 1hrv11 ASN 173 H -0.03 0.14 -0.25 -0.55 8.53 7.85 1hrv11 ASN 173 HA -0.03 0.16 0.57 -0.75 4.76 4.70 1hrv11 ASN 173 HB2 -0.08 -0.29 0.06 -0.04 2.88 2.53 1hrv11 ASN 173 HB3 -0.08 0.03 -0.02 -0.04 2.79 2.68 1hrv11 ASN 173 HD21 -0.22 -0.00 0.08 -0.04 7.03 6.84 1hrv11 ASN 173 HD22 -0.12 -0.07 -0.11 -0.04 7.74 7.39 1hrv11 PRO 174 HA -0.01 0.04 0.27 -0.51 4.44 4.23 1hrv11 PRO 174 HB2 -0.11 0.00 -0.03 -0.04 2.28 2.11 1hrv11 PRO 174 HB3 -0.02 0.02 0.09 -0.04 2.02 2.06 1hrv11 PRO 174 HG2 0.02 -0.01 0.10 -0.04 2.03 2.10 1hrv11 PRO 174 HG3 0.03 0.04 0.11 -0.04 2.03 2.17 1hrv11 PRO 174 HD2 0.09 0.09 0.19 -0.04 3.68 4.02 1hrv11 PRO 174 HD3 0.04 0.18 0.29 -0.04 3.65 4.12 1hrv11 SER 175 H 0.01 0.19 0.26 -0.55 8.46 8.37 1hrv11 SER 175 HA -0.11 0.19 0.65 -0.75 4.49 4.46 1hrv11 SER 175 HB2 -0.09 0.25 0.23 -0.04 3.95 4.30 1hrv11 SER 175 HB3 -0.04 0.06 -0.22 -0.04 3.93 3.69 1hrv11 VAL 176 H -0.11 0.35 0.25 -0.55 8.24 8.19 1hrv11 VAL 176 HA 0.08 0.23 1.01 -0.75 4.13 4.70 1hrv11 VAL 176 HB 0.21 -0.05 -0.27 -0.04 2.12 1.97 1hrv11 VAL 176 HG13 0.12 0.01 -0.05 -0.04 0.97 1.01 1hrv11 VAL 176 HG23 -0.10 0.00 -0.09 -0.04 0.95 0.73 1hrv11 PHE 177 H 0.40 0.22 0.12 -0.55 8.34 8.52 1hrv11 PHE 177 HA 0.13 0.43 0.89 -0.75 4.62 5.31 1hrv11 PHE 177 HB2 0.08 -0.04 0.14 -0.04 3.15 3.30 1hrv11 PHE 177 HB3 0.05 -0.00 0.00 -0.04 3.06 3.07 1hrv11 PHE 177 HD2 0.05 -0.02 -0.10 -0.04 7.28 7.17 1hrv11 PHE 177 HE2 0.05 0.04 -0.09 -0.04 7.38 7.34 1hrv11 PHE 177 HZ 0.08 0.14 -0.07 -0.04 7.32 7.42 1hrv11 PHE 178 H -0.01 0.40 0.24 -0.55 8.34 8.42 1hrv11 PHE 178 HA 0.12 0.17 0.71 -0.75 4.62 4.86 1hrv11 PHE 178 HB2 0.09 0.01 -0.00 -0.04 3.15 3.21 1hrv11 PHE 178 HB3 0.12 0.03 -0.16 -0.04 3.06 3.01 1hrv11 PHE 178 HD2 0.09 0.06 -0.39 -0.04 7.28 7.00 1hrv11 PHE 178 HE2 0.12 0.02 -0.20 -0.04 7.38 7.27 1hrv11 PHE 178 HZ 0.12 -0.04 -0.26 -0.04 7.32 7.10 1hrv11 LYS 179 H 0.22 0.17 0.13 -0.55 8.42 8.39 1hrv11 LYS 179 HA -0.05 0.12 0.82 -0.75 4.32 4.45 1hrv11 LYS 179 HB2 0.09 -0.07 0.07 -0.04 1.87 1.93 1hrv11 LYS 179 HB3 0.04 0.15 0.02 -0.04 1.79 1.96 1hrv11 LYS 179 HG2 0.05 -0.01 -0.09 -0.04 1.46 1.37 1hrv11 LYS 179 HG3 0.08 -0.03 0.03 -0.04 1.46 1.50 1hrv11 LYS 179 HD2 0.04 0.00 -0.01 -0.04 1.69 1.69 1hrv11 LYS 179 HD3 0.03 0.03 -0.04 -0.04 1.68 1.66 1hrv11 LYS 179 HE2 0.02 -0.00 -0.03 -0.04 2.99 2.93 1hrv11 LYS 179 HE3 0.04 -0.01 -0.05 -0.04 2.99 2.93 1hrv11 VAL 180 H -0.06 0.54 0.26 -0.55 8.24 8.43 1hrv11 VAL 180 HA -0.00 0.05 0.38 -0.75 4.13 3.81 1hrv11 VAL 180 HB -0.01 -0.02 0.15 -0.04 2.12 2.19 1hrv11 VAL 180 HG13 0.00 -0.00 -0.27 -0.04 0.97 0.66 1hrv11 VAL 180 HG23 -0.08 -0.01 -0.16 -0.04 0.95 0.67 1hrv11 GLY 181 H 0.09 1.02 0.49 -0.55 8.43 9.48 1hrv11 GLY 181 HA2 0.05 -0.07 0.49 -0.51 4.01 3.97 1hrv11 GLY 181 HA3 0.05 0.07 0.65 -0.51 4.01 4.27 1hrv11 ASP 182 H 0.14 0.48 -0.53 -0.55 8.40 7.94 1hrv11 ASP 182 HA 0.09 0.12 0.86 -0.75 4.63 4.95 1hrv11 ASP 182 HB2 0.24 0.09 0.11 -0.04 2.71 3.10 1hrv11 ASP 182 HB3 0.14 -0.07 0.23 -0.04 2.70 2.96 1hrv11 THR 183 H 0.08 0.19 0.24 -0.55 8.28 8.24 1hrv11 THR 183 HA -0.06 0.41 0.88 -0.75 4.39 4.86 1hrv11 THR 183 HB -0.00 -0.02 -0.03 -0.04 4.32 4.23 1hrv11 THR 183 HG23 -0.02 -0.01 -0.12 -0.04 1.22 1.02 1hrv11 SER 184 H -0.35 0.41 0.34 -0.55 8.46 8.32 1hrv11 SER 184 HA -0.12 0.16 0.84 -0.75 4.49 4.62 1hrv11 SER 184 HB2 -0.47 0.03 -0.05 -0.04 3.95 3.42 1hrv11 SER 184 HB3 -1.65 0.02 -0.01 -0.04 3.93 2.24 1hrv11 ARG 185 H 0.09 0.26 0.16 -0.55 8.46 8.42 1hrv11 ARG 185 HA -0.08 0.35 0.86 -0.75 4.34 4.71 1hrv11 ARG 185 HB2 -0.05 0.01 -0.05 -0.04 1.90 1.77 1hrv11 ARG 185 HB3 0.00 -0.07 -0.05 -0.04 1.80 1.64 1hrv11 ARG 185 HG2 -0.01 -0.07 -0.15 -0.04 1.67 1.40 1hrv11 ARG 185 HG3 -0.03 0.12 -0.49 -0.04 1.67 1.23 1hrv11 ARG 185 HD2 -0.10 -0.00 -0.11 -0.04 3.22 2.96 1hrv11 ARG 185 HD3 -0.10 0.07 -0.07 -0.04 3.22 3.08 1hrv11 PHE 186 H -0.48 0.49 0.33 -0.55 8.34 8.13 1hrv11 PHE 186 HA 0.04 0.08 0.54 -0.75 4.62 4.53 1hrv11 PHE 186 HB2 0.06 0.02 0.11 -0.04 3.15 3.29 1hrv11 PHE 186 HB3 0.05 0.08 -0.06 -0.04 3.06 3.08 1hrv11 PHE 186 HD2 0.06 -0.00 -0.42 -0.04 7.28 6.88 1hrv11 PHE 186 HE2 0.03 -0.00 -0.21 -0.04 7.38 7.15 1hrv11 PHE 186 HZ -0.11 -0.00 -0.17 -0.04 7.32 7.00 1hrv11 SER 187 H 0.26 0.27 0.22 -0.55 8.46 8.66 1hrv11 SER 187 HA 0.02 0.21 1.04 -0.75 4.49 5.00 1hrv11 SER 187 HB2 -0.01 0.14 0.08 -0.04 3.95 4.11 1hrv11 SER 187 HB3 0.00 -0.09 -0.27 -0.04 3.93 3.53 1hrv11 VAL 188 H 0.15 0.55 0.35 -0.55 8.24 8.73 1hrv11 VAL 188 HA 0.16 0.19 0.94 -0.75 4.13 4.67 1hrv11 VAL 188 HB 0.29 -0.10 0.05 -0.04 2.12 2.32 1hrv11 VAL 188 HG13 0.18 0.04 -0.05 -0.04 0.97 1.09 1hrv11 VAL 188 HG23 0.11 0.01 -0.01 -0.04 0.95 1.02 1hrv11 PRO 189 HA 0.15 0.02 0.47 -0.51 4.44 4.57 1hrv11 PRO 189 HB2 0.07 0.14 -0.16 -0.04 2.28 2.30 1hrv11 PRO 189 HB3 0.09 0.00 0.09 -0.04 2.02 2.17 1hrv11 PRO 189 HG2 0.06 0.07 -0.00 -0.04 2.03 2.11 1hrv11 PRO 189 HG3 0.07 0.03 0.06 -0.04 2.03 2.15 1hrv11 PRO 189 HD2 0.09 0.10 0.22 -0.04 3.68 4.06 1hrv11 PRO 189 HD3 0.10 0.18 0.21 -0.04 3.65 4.10 1hrv11 TYR 190 H 0.22 0.09 0.10 -0.55 8.29 8.14 1hrv11 TYR 190 HA 0.01 0.11 0.57 -0.75 4.56 4.50 1hrv11 TYR 190 HB2 -0.10 0.08 0.01 -0.04 3.06 3.02 1hrv11 TYR 190 HB3 -0.04 -0.03 0.15 -0.04 2.98 3.01 1hrv11 TYR 190 HD2 -0.65 -0.01 0.04 -0.04 7.15 6.49 1hrv11 TYR 190 HE2 -0.64 -0.01 -0.14 -0.04 6.85 6.01 1hrv11 VAL 191 H 0.04 0.15 0.18 -0.55 8.24 8.06 1hrv11 VAL 191 HA -0.18 0.17 0.51 -0.75 4.13 3.88 1hrv11 VAL 191 HB -0.02 0.01 0.18 -0.04 2.12 2.24 1hrv11 VAL 191 HG13 0.02 0.04 -0.03 -0.04 0.97 0.95 1hrv11 VAL 191 HG23 0.06 -0.00 -0.04 -0.04 0.95 0.92 1hrv11 GLY 192 H -1.07 0.00 -0.35 -0.55 8.43 6.46 1hrv11 GLY 192 HA2 0.02 0.02 0.39 -0.51 4.01 3.94 1hrv11 GLY 192 HA3 -0.35 -0.03 0.15 -0.51 4.01 3.28 1hrv11 LEU 193 H -0.04 0.06 0.17 -0.55 8.37 8.02 1hrv11 LEU 193 HA -0.08 0.15 0.57 -0.75 4.35 4.24 1hrv11 LEU 193 HB2 -0.03 -0.08 0.09 -0.04 1.64 1.58 1hrv11 LEU 193 HB3 -0.03 -0.03 0.01 -0.04 1.64 1.55 1hrv11 LEU 193 HG -0.01 0.02 0.14 -0.04 1.64 1.74 1hrv11 LEU 193 HD13 -0.02 -0.00 0.08 -0.04 0.93 0.95 1hrv11 LEU 193 HD23 -0.02 0.01 0.05 -0.04 0.89 0.89 1hrv11 ALA 194 H -0.01 -0.02 -0.09 -0.55 8.40 7.73 1hrv11 ALA 194 HA -0.03 0.17 0.65 -0.75 4.34 4.38 1hrv11 ALA 194 HB3 -0.03 0.01 0.14 -0.04 1.41 1.48 1hrv11 SER 195 H -0.09 0.07 0.13 -0.55 8.46 8.03 1hrv11 SER 195 HA 0.03 0.19 0.43 -0.75 4.49 4.39 1hrv11 SER 195 HB2 -0.24 -0.04 0.06 -0.04 3.95 3.69 1hrv11 SER 195 HB3 -0.18 0.01 0.04 -0.04 3.93 3.75 1hrv11 ALA 196 H -0.05 0.08 -0.04 -0.55 8.40 7.85 1hrv11 ALA 196 HA -0.17 0.16 0.57 -0.75 4.34 4.15 1hrv11 ALA 196 HB3 -0.07 0.00 -0.16 -0.04 1.41 1.14 1hrv11 TYR 197 H 0.25 0.80 0.37 -0.55 8.29 9.15 1hrv11 TYR 197 HA 0.06 -0.02 0.61 -0.75 4.56 4.46 1hrv11 TYR 197 HB2 0.01 0.41 0.35 -0.04 3.06 3.79 1hrv11 TYR 197 HB3 0.01 0.03 0.01 -0.04 2.98 2.98 1hrv11 TYR 197 HD2 -0.33 -0.00 -0.08 -0.04 7.15 6.70 1hrv11 TYR 197 HE2 -0.34 0.07 -0.10 -0.04 6.85 6.44 1hrv11 ASN 198 H 0.14 0.10 0.11 -0.55 8.53 8.33 1hrv11 ASN 198 HA 0.37 0.15 0.77 -0.75 4.76 5.29 1hrv11 ASN 198 HB2 0.08 -0.11 0.15 -0.04 2.88 2.95 1hrv11 ASN 198 HB3 0.18 0.35 0.00 -0.04 2.79 3.29 1hrv11 ASN 198 HD21 0.32 -0.07 0.04 -0.04 7.03 7.27 1hrv11 ASN 198 HD22 0.37 0.23 0.19 -0.04 7.74 8.49 1hrv11 CYS 199 H 0.14 0.77 0.37 -0.55 8.50 9.24 1hrv11 CYS 199 HA -0.13 -0.00 0.52 -0.75 4.58 4.22 1hrv11 CYS 199 HB2 0.21 0.16 0.16 -0.04 2.97 3.46 1hrv11 CYS 199 HB3 -0.43 -0.06 0.05 -0.04 2.97 2.48 1hrv11 PHE 200 H 0.15 0.28 0.03 -0.55 8.34 8.25 1hrv11 PHE 200 HA 0.02 0.12 0.60 -0.75 4.62 4.60 1hrv11 PHE 200 HB2 -0.03 -0.00 -0.03 -0.04 3.15 3.04 1hrv11 PHE 200 HB3 -0.02 -0.08 0.00 -0.04 3.06 2.93 1hrv11 PHE 200 HD2 0.00 -0.08 -0.04 -0.04 7.28 7.12 1hrv11 PHE 200 HE2 0.05 0.12 -0.02 -0.04 7.38 7.50 1hrv11 PHE 200 HZ 0.06 0.08 0.04 -0.04 7.32 7.46 1hrv11 TYR 201 H 0.10 0.21 -0.04 -0.55 8.29 8.00 1hrv11 TYR 201 HA 0.04 0.11 0.59 -0.75 4.56 4.55 1hrv11 TYR 201 HB2 0.01 0.10 -0.20 -0.04 3.06 2.92 1hrv11 TYR 201 HB3 -0.09 -0.04 -0.18 -0.04 2.98 2.63 1hrv11 TYR 201 HD2 -0.04 0.35 0.06 -0.04 7.15 7.48 1hrv11 TYR 201 HE2 -0.01 0.01 -0.26 -0.04 6.85 6.55 1hrv11 ASP 202 H -0.18 0.20 -0.04 -0.55 8.40 7.84 1hrv11 ASP 202 HA -0.38 0.12 0.76 -0.75 4.63 4.37 1hrv11 ASP 202 HB2 -0.02 0.01 0.06 -0.04 2.71 2.72 1hrv11 ASP 202 HB3 -0.06 -0.01 0.17 -0.04 2.70 2.76 1hrv11 GLY 203 H -1.01 0.44 -0.15 -0.55 8.43 7.18 1hrv11 GLY 203 HA2 -0.29 0.11 0.45 -0.51 4.01 3.78 1hrv11 GLY 203 HA3 -0.79 0.05 0.32 -0.51 4.01 3.08 1hrv11 TYR 204 H 0.16 0.20 0.17 -0.55 8.29 8.26 1hrv11 TYR 204 HA 0.21 0.27 0.82 -0.75 4.56 5.11 1hrv11 TYR 204 HB2 0.08 0.01 0.01 -0.04 3.06 3.12 1hrv11 TYR 204 HB3 0.09 -0.07 0.19 -0.04 2.98 3.15 1hrv11 TYR 204 HD2 0.09 0.07 -0.22 -0.04 7.15 7.05 1hrv11 TYR 204 HE2 0.04 -0.01 -0.13 -0.04 6.85 6.71 1hrv11 SER 205 H 0.36 0.17 0.18 -0.55 8.46 8.62 1hrv11 SER 205 HA 0.17 0.16 0.51 -0.75 4.49 4.57 1hrv11 SER 205 HB2 0.04 0.03 0.03 -0.04 3.95 4.00 1hrv11 SER 205 HB3 0.10 0.04 0.04 -0.04 3.93 4.07 1hrv11 HIS 206 H 0.39 0.18 0.07 -0.55 8.41 8.51 1hrv11 HIS 206 HA 0.08 0.16 0.10 -0.75 4.63 4.22 1hrv11 HIS 206 HB2 0.03 -0.06 0.11 -0.04 3.26 3.30 1hrv11 HIS 206 HB3 0.04 0.25 0.26 -0.04 3.20 3.71 1hrv11 HIS 206 HD2 0.01 0.05 -0.12 -0.04 6.97 6.86 1hrv11 HIS 206 HE1 0.04 -0.01 -0.03 -0.04 7.75 7.71 1hrv11 ASP 207 H 0.06 0.19 0.02 -0.55 8.40 8.13 1hrv11 ASP 207 HA -0.11 0.17 0.55 -0.75 4.63 4.48 1hrv11 ASP 207 HB2 -0.03 -0.00 0.23 -0.04 2.71 2.86 1hrv11 ASP 207 HB3 -0.05 0.05 0.09 -0.04 2.70 2.75 1hrv11 ASP 208 H -0.45 0.44 -0.02 -0.55 8.40 7.82 1hrv11 ASP 208 HA -0.21 0.18 0.77 -0.75 4.63 4.61 1hrv11 ASP 208 HB2 -0.84 0.06 -0.05 -0.04 2.71 1.84 1hrv11 ASP 208 HB3 -0.49 -0.02 0.05 -0.04 2.70 2.20 1hrv11 ALA 209 H -0.11 0.15 0.14 -0.55 8.40 8.04 1hrv11 ALA 209 HA -0.16 0.19 0.41 -0.75 4.34 4.02 1hrv11 ALA 209 HB3 -0.07 0.01 0.06 -0.04 1.41 1.37 1hrv11 GLU 210 H -0.09 -0.06 -0.16 -0.55 8.60 7.74 1hrv11 GLU 210 HA -0.04 0.29 0.87 -0.75 4.29 4.66 1hrv11 GLU 210 HB2 -0.01 -0.06 -0.02 -0.04 2.09 1.96 1hrv11 GLU 210 HB3 0.00 0.03 0.14 -0.04 1.99 2.12 1hrv11 GLU 210 HG2 -0.03 -0.09 -0.19 -0.04 2.34 1.99 1hrv11 GLU 210 HG3 -0.01 -0.00 -0.03 -0.04 2.34 2.26 1hrv11 THR 211 H -0.12 0.05 -0.26 -0.55 8.28 7.40 1hrv11 THR 211 HA 0.10 0.08 0.45 -0.75 4.39 4.26 1hrv11 THR 211 HB 0.06 -0.06 0.05 -0.04 4.32 4.34 1hrv11 THR 211 HG23 -0.17 0.03 0.06 -0.04 1.22 1.11 1hrv11 GLN 212 H 0.16 0.05 0.15 -0.55 8.47 8.28 1hrv11 GLN 212 HA 0.18 0.09 0.43 -0.75 4.36 4.30 1hrv11 GLN 212 HB2 0.13 -0.07 0.08 -0.04 2.15 2.25 1hrv11 GLN 212 HB3 0.13 0.09 -0.09 -0.04 2.02 2.10 1hrv11 GLN 212 HG2 0.09 -0.02 0.05 -0.04 2.40 2.48 1hrv11 GLN 212 HG3 0.08 0.01 0.01 -0.04 2.39 2.45 1hrv11 GLN 212 HE21 0.07 -0.00 0.01 -0.04 6.97 7.01 1hrv11 GLN 212 HE22 0.07 -0.01 0.00 -0.04 7.69 7.71 1hrv11 TYR 213 H 0.27 0.14 0.22 -0.55 8.29 8.37 1hrv11 TYR 213 HA -0.17 0.28 0.91 -0.75 4.56 4.83 1hrv11 TYR 213 HB2 0.18 0.05 0.01 -0.04 3.06 3.26 1hrv11 TYR 213 HB3 0.07 -0.06 0.13 -0.04 2.98 3.08 1hrv11 TYR 213 HD2 -0.64 0.03 -0.03 -0.04 7.15 6.47 1hrv11 TYR 213 HE2 -0.14 -0.04 -0.04 -0.04 6.85 6.59 1hrv11 GLY 214 H -0.55 0.42 0.37 -0.55 8.43 8.13 1hrv11 GLY 214 HA2 -0.39 0.08 0.49 -0.51 4.01 3.68 1hrv11 GLY 214 HA3 -0.09 0.20 1.07 -0.51 4.01 4.68 1hrv11 ILE 215 H -0.03 0.39 0.33 -0.55 8.25 8.40 1hrv11 ILE 215 HA 0.02 0.08 0.61 -0.75 4.18 4.13 1hrv11 ILE 215 HB 0.02 -0.01 -0.13 -0.04 1.89 1.72 1hrv11 ILE 215 HG12 -0.05 -0.21 0.07 -0.04 1.49 1.26 1hrv11 ILE 215 HG13 -0.03 0.14 -0.02 -0.04 1.21 1.25 1hrv11 ILE 215 HG23 -0.07 0.09 0.11 -0.04 0.93 1.02 1hrv11 ILE 215 HD13 -0.11 0.02 -0.04 -0.04 0.88 0.72 1hrv11 THR 216 H 0.00 0.12 0.07 -0.55 8.28 7.92 1hrv11 THR 216 HA -0.00 0.11 0.27 -0.75 4.39 4.02 1hrv11 THR 216 HB 0.04 0.01 -0.21 -0.04 4.32 4.13 1hrv11 THR 216 HG23 0.03 0.01 0.01 -0.04 1.22 1.23 1hrv11 VAL 217 H 0.02 -0.04 -1.05 -0.55 8.24 6.62 1hrv11 VAL 217 HA 0.01 0.14 0.50 -0.75 4.13 4.02 1hrv11 VAL 217 HB 0.08 -0.02 -0.16 -0.04 2.12 1.98 1hrv11 VAL 217 HG13 0.10 -0.06 -0.29 -0.04 0.97 0.68 1hrv11 VAL 217 HG23 0.04 -0.01 -0.25 -0.04 0.95 0.69 1hrv11 LEU 218 H -0.08 0.08 -0.13 -0.55 8.37 7.69 1hrv11 LEU 218 HA -0.13 0.10 0.54 -0.75 4.35 4.10 1hrv11 LEU 218 HB2 -0.26 -0.05 0.20 -0.04 1.64 1.49 1hrv11 LEU 218 HB3 -0.14 0.02 0.06 -0.04 1.64 1.54 1hrv11 LEU 218 HG -0.25 -0.02 0.04 -0.04 1.64 1.36 1hrv11 LEU 218 HD13 -0.62 0.02 -0.06 -0.04 0.93 0.23 1hrv11 LEU 218 HD23 -0.66 -0.00 0.01 -0.04 0.89 0.20 1hrv11 ASN 219 H -0.05 0.56 0.06 -0.55 8.53 8.56 1hrv11 ASN 219 HA -0.03 0.03 0.44 -0.75 4.76 4.45 1hrv11 ASN 219 HB2 -0.08 -0.03 0.05 -0.04 2.88 2.78 1hrv11 ASN 219 HB3 -0.06 0.05 0.11 -0.04 2.79 2.85 1hrv11 ASN 219 HD21 -0.09 -0.06 0.03 -0.04 7.03 6.87 1hrv11 ASN 219 HD22 -0.08 0.00 -0.03 -0.04 7.74 7.59 1hrv11 HIS 220 H 0.06 0.54 0.17 -0.55 8.41 8.64 1hrv11 HIS 220 HA -0.06 0.04 0.67 -0.75 4.63 4.52 1hrv11 HIS 220 HB2 -0.05 0.11 -0.18 -0.04 3.26 3.11 1hrv11 HIS 220 HB3 -0.05 0.05 0.18 -0.04 3.20 3.35 1hrv11 HIS 220 HD2 -0.04 0.02 0.03 -0.04 6.97 6.94 1hrv11 HIS 220 HE1 -0.04 -0.04 -0.01 -0.04 7.75 7.61 1hrv11 MET 221 H -0.19 0.16 0.10 -0.55 8.47 8.00 1hrv11 MET 221 HA -0.08 0.25 0.97 -0.75 4.52 4.91 1hrv11 MET 221 HB2 -0.17 0.10 -0.10 -0.04 2.15 1.94 1hrv11 MET 221 HB3 -0.09 -0.01 0.04 -0.04 2.03 1.92 1hrv11 MET 221 HG2 -0.07 -0.12 -0.65 -0.04 2.63 1.75 1hrv11 MET 221 HG3 -0.14 -0.03 -0.22 -0.04 2.56 2.14 1hrv11 MET 221 HE3 0.05 0.03 -0.11 -0.04 2.10 2.03 1hrv11 GLY 222 H -0.28 -0.04 0.07 -0.55 8.43 7.63 1hrv11 GLY 222 HA2 -0.20 -0.00 0.29 -0.51 4.01 3.59 1hrv11 GLY 222 HA3 -0.10 0.16 0.38 -0.51 4.01 3.93 1hrv11 SER 223 H -0.11 0.33 0.17 -0.55 8.46 8.31 1hrv11 SER 223 HA -0.22 0.25 1.06 -0.75 4.49 4.84 1hrv11 SER 223 HB2 -0.00 -0.23 -0.15 -0.04 3.95 3.53 1hrv11 SER 223 HB3 -0.08 -0.08 -0.24 -0.04 3.93 3.50 1hrv11 MET 224 H -0.04 0.29 0.30 -0.55 8.47 8.47 1hrv11 MET 224 HA -0.05 0.30 0.98 -0.75 4.52 5.00 1hrv11 MET 224 HB2 -0.07 0.04 -0.02 -0.04 2.15 2.06 1hrv11 MET 224 HB3 0.19 -0.07 0.17 -0.04 2.03 2.27 1hrv11 MET 224 HG2 -0.67 -0.08 -0.24 -0.04 2.63 1.59 1hrv11 MET 224 HG3 -0.26 0.13 -0.14 -0.04 2.56 2.24 1hrv11 MET 224 HE3 0.24 -0.01 -0.12 -0.04 2.10 2.16 1hrv11 ALA 225 H -0.13 1.10 0.45 -0.55 8.40 9.27 1hrv11 ALA 225 HA 0.07 0.26 1.13 -0.75 4.34 5.04 1hrv11 ALA 225 HB3 -0.02 -0.02 0.03 -0.04 1.41 1.36 1hrv11 PHE 226 H 0.39 0.72 0.40 -0.55 8.34 9.30 1hrv11 PHE 226 HA 0.24 0.35 1.03 -0.75 4.62 5.48 1hrv11 PHE 226 HB2 0.19 -0.07 -0.09 -0.04 3.15 3.14 1hrv11 PHE 226 HB3 0.13 -0.01 -0.15 -0.04 3.06 2.99 1hrv11 PHE 226 HD2 0.22 0.01 -0.22 -0.04 7.28 7.25 1hrv11 PHE 226 HE2 0.26 -0.01 -0.21 -0.04 7.38 7.38 1hrv11 PHE 226 HZ 0.21 -0.02 -0.19 -0.04 7.32 7.29 1hrv11 ARG 227 H 0.11 0.46 0.37 -0.55 8.46 8.86 1hrv11 ARG 227 HA 0.10 0.12 0.72 -0.75 4.34 4.52 1hrv11 ARG 227 HB2 -0.19 0.08 0.21 -0.04 1.90 1.96 1hrv11 ARG 227 HB3 -0.76 -0.06 -0.32 -0.04 1.80 0.62 1hrv11 ARG 227 HG2 -0.71 -0.02 -0.06 -0.04 1.67 0.84 1hrv11 ARG 227 HG3 -0.24 0.01 -0.60 -0.04 1.67 0.80 1hrv11 ARG 227 HD2 -0.37 0.21 0.06 -0.04 3.22 3.08 1hrv11 ARG 227 HD3 -2.59 -0.11 -0.03 -0.04 3.22 0.45 1hrv11 ILE 228 H -0.03 0.32 0.21 -0.55 8.25 8.21 1hrv11 ILE 228 HA -0.04 0.13 0.93 -0.75 4.18 4.44 1hrv11 ILE 228 HB -0.14 0.11 0.08 -0.04 1.89 1.91 1hrv11 ILE 228 HG12 -0.06 -0.00 -0.15 -0.04 1.49 1.24 1hrv11 ILE 228 HG13 -0.05 0.02 -0.22 -0.04 1.21 0.92 1hrv11 ILE 228 HG23 -0.07 -0.01 -0.02 -0.04 0.93 0.78 1hrv11 ILE 228 HD13 -0.07 -0.02 -0.17 -0.04 0.88 0.59 1hrv11 VAL 229 H 0.02 0.61 0.35 -0.55 8.24 8.68 1hrv11 VAL 229 HA 0.20 0.16 0.58 -0.75 4.13 4.31 1hrv11 VAL 229 HB 0.10 -0.05 0.11 -0.04 2.12 2.24 1hrv11 VAL 229 HG13 0.11 -0.01 -0.05 -0.04 0.97 0.98 1hrv11 VAL 229 HG23 0.23 0.01 -0.19 -0.04 0.95 0.96 1hrv11 ASN 230 H 0.01 -0.10 0.05 -0.55 8.53 7.95 1hrv11 ASN 230 HA 0.04 0.00 0.29 -0.75 4.76 4.34 1hrv11 ASN 230 HB2 -0.06 -0.04 0.02 -0.04 2.88 2.76 1hrv11 ASN 230 HB3 -0.03 0.13 0.05 -0.04 2.79 2.89 1hrv11 ASN 230 HD21 -0.00 0.23 0.17 -0.04 7.03 7.39 1hrv11 ASN 230 HD22 -0.01 -0.01 0.01 -0.04 7.74 7.69 1hrv11 GLU 231 H 0.01 0.02 0.14 -0.55 8.60 8.23 1hrv11 GLU 231 HA -0.07 0.15 0.60 -0.75 4.29 4.22 1hrv11 GLU 231 HB2 -0.10 0.04 0.01 -0.04 2.09 2.00 1hrv11 GLU 231 HB3 -0.04 -0.12 0.20 -0.04 1.99 1.99 1hrv11 GLU 231 HG2 0.10 0.01 0.09 -0.04 2.34 2.50 1hrv11 GLU 231 HG3 0.03 -0.00 0.05 -0.04 2.34 2.38 1hrv11 HIS 232 H -0.13 0.06 0.09 -0.55 8.41 7.89 1hrv11 HIS 232 HA -0.17 0.09 0.45 -0.75 4.63 4.25 1hrv11 HIS 232 HB2 -0.16 0.19 -0.11 -0.04 3.26 3.14 1hrv11 HIS 232 HB3 -0.20 0.02 -0.38 -0.04 3.20 2.60 1hrv11 HIS 232 HD2 -0.07 -0.04 0.10 -0.04 6.97 6.92 1hrv11 HIS 232 HE1 -0.03 0.00 -0.06 -0.04 7.75 7.62 1hrv11 ASP 233 H -0.13 0.15 0.07 -0.55 8.40 7.94 1hrv11 ASP 233 HA -0.12 0.14 0.68 -0.75 4.63 4.58 1hrv11 ASP 233 HB2 -0.57 0.08 -0.06 -0.04 2.71 2.12 1hrv11 ASP 233 HB3 -0.14 -0.15 0.16 -0.04 2.70 2.52 1hrv11 GLU 234 H -0.11 0.06 0.13 -0.55 8.60 8.14 1hrv11 GLU 234 HA 0.00 0.10 0.40 -0.75 4.29 4.04 1hrv11 GLU 234 HB2 0.00 0.00 0.11 -0.04 2.09 2.16 1hrv11 GLU 234 HB3 -0.02 -0.07 0.19 -0.04 1.99 2.05 1hrv11 GLU 234 HG2 -0.01 0.05 -0.12 -0.04 2.34 2.22 1hrv11 GLU 234 HG3 0.00 0.01 0.06 -0.04 2.34 2.37 1hrv11 HIS 235 H -0.64 -0.08 -0.04 -0.55 8.41 7.10 1hrv11 HIS 235 HA -0.07 0.21 0.60 -0.75 4.63 4.62 1hrv11 HIS 235 HB2 -0.10 0.03 0.25 -0.04 3.26 3.41 1hrv11 HIS 235 HB3 -0.13 0.04 0.22 -0.04 3.20 3.30 1hrv11 HIS 235 HD2 -0.10 0.25 -0.48 -0.04 6.97 6.59 1hrv11 HIS 235 HE1 -1.22 -0.08 -0.07 -0.04 7.75 6.34 1hrv11 LYS 236 H 0.10 0.19 0.24 -0.55 8.42 8.39 1hrv11 LYS 236 HA -0.05 0.27 0.82 -0.75 4.32 4.60 1hrv11 LYS 236 HB2 -0.03 -0.01 0.08 -0.04 1.87 1.87 1hrv11 LYS 236 HB3 -0.01 -0.05 0.04 -0.04 1.79 1.73 1hrv11 LYS 236 HG2 -0.05 0.01 0.01 -0.04 1.46 1.39 1hrv11 LYS 236 HG3 -0.07 0.00 0.08 -0.04 1.46 1.43 1hrv11 LYS 236 HD2 -0.05 0.03 -0.08 -0.04 1.69 1.55 1hrv11 LYS 236 HD3 -0.05 -0.02 -0.03 -0.04 1.68 1.55 1hrv11 LYS 236 HE2 -0.02 -0.03 -0.06 -0.04 2.99 2.83 1hrv11 LYS 236 HE3 -0.03 -0.02 -0.24 -0.04 2.99 2.66 1hrv11 THR 237 H -0.03 0.50 0.32 -0.55 8.28 8.52 1hrv11 THR 237 HA 0.03 0.26 1.12 -0.75 4.39 5.05 1hrv11 THR 237 HB -0.00 -0.06 0.09 -0.04 4.32 4.30 1hrv11 THR 237 HG23 0.01 0.02 -0.14 -0.04 1.22 1.06 1hrv11 LEU 238 H -0.02 0.67 0.37 -0.55 8.37 8.85 1hrv11 LEU 238 HA -0.04 0.17 0.90 -0.75 4.35 4.63 1hrv11 LEU 238 HB2 -0.03 -0.01 0.16 -0.04 1.64 1.71 1hrv11 LEU 238 HB3 -0.04 0.02 0.02 -0.04 1.64 1.60 1hrv11 LEU 238 HG -0.04 0.09 -0.01 -0.04 1.64 1.64 1hrv11 LEU 238 HD13 -0.04 0.02 -0.24 -0.04 0.93 0.62 1hrv11 LEU 238 HD23 -0.03 -0.01 -0.05 -0.04 0.89 0.76 1hrv11 VAL 239 H -0.05 0.78 0.40 -0.55 8.24 8.82 1hrv11 VAL 239 HA -0.03 0.24 0.88 -0.75 4.13 4.46 1hrv11 VAL 239 HB -0.05 0.05 0.01 -0.04 2.12 2.09 1hrv11 VAL 239 HG13 -0.05 -0.01 -0.21 -0.04 0.97 0.65 1hrv11 VAL 239 HG23 -0.03 -0.03 -0.25 -0.04 0.95 0.59 1hrv11 LYS 240 H -0.04 0.55 0.27 -0.55 8.42 8.64 1hrv11 LYS 240 HA -0.10 0.21 1.10 -0.75 4.32 4.78 1hrv11 LYS 240 HB2 -0.06 -0.03 -0.03 -0.04 1.87 1.71 1hrv11 LYS 240 HB3 -0.05 -0.06 0.14 -0.04 1.79 1.78 1hrv11 LYS 240 HG2 -0.08 -0.08 -0.14 -0.04 1.46 1.11 1hrv11 LYS 240 HG3 -0.13 0.31 0.04 -0.04 1.46 1.64 1hrv11 LYS 240 HD2 -0.06 -0.05 -0.06 -0.04 1.69 1.47 1hrv11 LYS 240 HD3 -0.09 -0.01 -0.08 -0.04 1.68 1.47 1hrv11 LYS 240 HE2 -0.08 0.07 -0.01 -0.04 2.99 2.93 1hrv11 LYS 240 HE3 -0.05 -0.06 -0.09 -0.04 2.99 2.75 1hrv11 ILE 241 H -0.20 0.40 0.04 -0.55 8.25 7.94 1hrv11 ILE 241 HA -0.11 0.24 0.87 -0.75 4.18 4.44 1hrv11 ILE 241 HB -0.52 -0.08 -0.07 -0.04 1.89 1.18 1hrv11 ILE 241 HG12 -0.07 0.06 -0.19 -0.04 1.49 1.24 1hrv11 ILE 241 HG13 -0.15 -0.08 -0.49 -0.04 1.21 0.44 1hrv11 ILE 241 HG23 -0.94 -0.00 -0.25 -0.04 0.93 -0.30 1hrv11 ILE 241 HD13 -0.31 0.00 -0.24 -0.04 0.88 0.29 1hrv11 ARG 242 H -0.05 0.81 0.36 -0.55 8.46 9.03 1hrv11 ARG 242 HA -0.28 0.31 1.04 -0.75 4.34 4.66 1hrv11 ARG 242 HB2 0.06 0.02 0.19 -0.04 1.90 2.13 1hrv11 ARG 242 HB3 -0.24 -0.03 0.04 -0.04 1.80 1.53 1hrv11 ARG 242 HG2 -0.19 0.00 0.07 -0.04 1.67 1.51 1hrv11 ARG 242 HG3 -0.12 0.00 -0.27 -0.04 1.67 1.24 1hrv11 ARG 242 HD2 0.10 -0.02 -0.03 -0.04 3.22 3.23 1hrv11 ARG 242 HD3 -0.00 -0.02 -0.04 -0.04 3.22 3.12 1hrv11 VAL 243 H -0.32 0.62 0.28 -0.55 8.24 8.28 1hrv11 VAL 243 HA 0.07 0.19 0.93 -0.75 4.13 4.56 1hrv11 VAL 243 HB -0.35 -0.06 0.12 -0.04 2.12 1.78 1hrv11 VAL 243 HG13 0.31 0.01 -0.15 -0.04 0.97 1.10 1hrv11 VAL 243 HG23 0.02 -0.00 -0.19 -0.04 0.95 0.74 1hrv11 TYR 244 H 0.28 0.79 0.44 -0.55 8.29 9.25 1hrv11 TYR 244 HA 0.03 0.22 0.98 -0.75 4.56 5.03 1hrv11 TYR 244 HB2 -0.02 0.00 0.18 -0.04 3.06 3.18 1hrv11 TYR 244 HB3 -0.04 -0.03 -0.08 -0.04 2.98 2.79 1hrv11 TYR 244 HD2 -0.02 0.12 -0.24 -0.04 7.15 6.97 1hrv11 TYR 244 HE2 -0.03 -0.01 -0.07 -0.04 6.85 6.70 1hrv11 HIS 245 H 0.10 0.62 0.37 -0.55 8.41 8.95 1hrv11 HIS 245 HA -0.43 0.25 1.04 -0.75 4.63 4.74 1hrv11 HIS 245 HB2 -0.24 -0.01 -0.14 -0.04 3.26 2.84 1hrv11 HIS 245 HB3 -0.09 -0.01 0.07 -0.04 3.20 3.13 1hrv11 HIS 245 HD2 -0.68 -0.02 -0.15 -0.04 6.97 6.09 1hrv11 HIS 245 HE1 -0.59 -0.01 -0.25 -0.04 7.75 6.86 1hrv11 ARG 246 H -0.71 0.51 0.24 -0.55 8.46 7.94 1hrv11 ARG 246 HA -0.26 0.31 0.70 -0.75 4.34 4.33 1hrv11 ARG 246 HB2 -0.20 -0.13 -0.18 -0.04 1.90 1.35 1hrv11 ARG 246 HB3 -0.28 -0.06 0.04 -0.04 1.80 1.46 1hrv11 ARG 246 HG2 -0.20 0.16 -0.36 -0.04 1.67 1.23 1hrv11 ARG 246 HG3 -0.16 -0.06 -0.83 -0.04 1.67 0.58 1hrv11 ARG 246 HD2 -0.11 0.17 0.00 -0.04 3.22 3.24 1hrv11 ARG 246 HD3 -0.13 -0.14 -0.10 -0.04 3.22 2.80 1hrv11 ALA 247 H -0.32 0.44 0.14 -0.55 8.40 8.11 1hrv11 ALA 247 HA -0.40 0.21 0.70 -0.75 4.34 4.09 1hrv11 ALA 247 HB3 -0.66 0.02 -0.04 -0.04 1.41 0.69 1hrv11 LYS 248 H -0.14 0.97 0.32 -0.55 8.42 9.02 1hrv11 LYS 248 HA -0.22 0.10 0.63 -0.75 4.32 4.08 1hrv11 LYS 248 HB2 -0.70 -0.06 0.03 -0.04 1.87 1.10 1hrv11 LYS 248 HB3 -0.26 0.11 0.01 -0.04 1.79 1.61 1hrv11 LYS 248 HG2 -0.26 0.08 -0.30 -0.04 1.46 0.94 1hrv11 LYS 248 HG3 -0.42 -0.06 -0.17 -0.04 1.46 0.77 1hrv11 LYS 248 HD2 -0.18 -0.01 -0.10 -0.04 1.69 1.36 1hrv11 LYS 248 HD3 -0.16 0.01 -0.17 -0.04 1.68 1.31 1hrv11 LYS 248 HE2 -0.10 -0.01 -0.20 -0.04 2.99 2.65 1hrv11 LYS 248 HE3 -0.04 -0.02 -0.11 -0.04 2.99 2.78 1hrv11 HIS 249 H -0.05 0.14 0.12 -0.55 8.41 8.07 1hrv11 HIS 249 HA -0.00 0.02 0.32 -0.75 4.63 4.21 1hrv11 HIS 249 HB2 0.06 0.05 0.35 -0.04 3.26 3.68 1hrv11 HIS 249 HB3 0.02 0.02 0.15 -0.04 3.20 3.34 1hrv11 HIS 249 HD2 -0.00 0.01 0.03 -0.04 6.97 6.96 1hrv11 HIS 249 HE1 0.02 0.02 -0.09 -0.04 7.75 7.66 1hrv11 VAL 250 H 0.03 -0.00 -0.00 -0.55 8.24 7.71 1hrv11 VAL 250 HA 0.16 0.27 0.36 -0.75 4.13 4.17 1hrv11 VAL 250 HB -0.03 -0.14 -0.15 -0.04 2.12 1.76 1hrv11 VAL 250 HG13 -0.03 0.00 -0.38 -0.04 0.97 0.52 1hrv11 VAL 250 HG23 -0.04 0.00 -0.22 -0.04 0.95 0.65 1hrv11 GLU 251 H -0.01 0.50 0.35 -0.55 8.60 8.89 1hrv11 GLU 251 HA -0.41 0.07 0.82 -0.75 4.29 4.02 1hrv11 GLU 251 HB2 -0.15 0.08 -0.17 -0.04 2.09 1.81 1hrv11 GLU 251 HB3 -0.46 -0.06 0.13 -0.04 1.99 1.56 1hrv11 GLU 251 HG2 -0.67 -0.03 -0.04 -0.04 2.34 1.56 1hrv11 GLU 251 HG3 -0.29 0.01 0.03 -0.04 2.34 2.05 1hrv11 ALA 252 H -0.70 0.23 0.18 -0.55 8.40 7.56 1hrv11 ALA 252 HA -0.21 0.28 1.10 -0.75 4.34 4.76 1hrv11 ALA 252 HB3 -0.94 0.00 -0.05 -0.04 1.41 0.38 1hrv11 TRP 253 H 0.48 0.65 0.35 -0.55 7.97 8.90 1hrv11 TRP 253 HA 0.09 0.17 0.99 -0.75 4.62 5.10 1hrv11 TRP 253 HB2 0.31 -0.03 0.05 -0.04 3.23 3.52 1hrv11 TRP 253 HB3 0.18 -0.01 0.03 -0.04 3.23 3.39 1hrv11 TRP 253 HD1 0.05 -0.01 -0.00 -0.04 7.22 7.22 1hrv11 TRP 253 HE1 -0.00 -0.00 -0.06 -0.04 10.20 10.09 1hrv11 TRP 253 HE3 0.14 0.13 -0.30 -0.04 7.59 7.51 1hrv11 TRP 253 HZ2 -0.05 0.01 -0.09 -0.04 7.44 7.27 1hrv11 TRP 253 HZ3 -0.07 -0.01 -0.30 -0.04 7.13 6.72 1hrv11 TRP 253 HH2 -0.13 0.07 -0.09 -0.04 7.19 6.99 1hrv11 ILE 254 H 0.29 0.12 0.16 -0.55 8.25 8.28 1hrv11 ILE 254 HA 0.17 0.08 0.44 -0.75 4.18 4.12 1hrv11 ILE 254 HB 0.12 -0.03 0.19 -0.04 1.89 2.13 1hrv11 ILE 254 HG12 0.40 -0.19 -0.22 -0.04 1.49 1.43 1hrv11 ILE 254 HG13 0.31 0.00 -0.12 -0.04 1.21 1.36 1hrv11 ILE 254 HG23 0.07 0.04 -0.05 -0.04 0.93 0.95 1hrv11 ILE 254 HD13 0.17 0.02 0.02 -0.04 0.88 1.05 1hrv11 PRO 255 HA 0.08 0.31 0.56 -0.51 4.44 4.89 1hrv11 PRO 255 HB2 0.01 0.09 0.01 -0.04 2.28 2.35 1hrv11 PRO 255 HB3 0.11 -0.00 0.11 -0.04 2.02 2.19 1hrv11 PRO 255 HG2 0.05 0.03 0.06 -0.04 2.03 2.13 1hrv11 PRO 255 HG3 0.08 0.01 0.08 -0.04 2.03 2.15 1hrv11 PRO 255 HD2 0.11 0.06 0.21 -0.04 3.68 4.02 1hrv11 PRO 255 HD3 0.15 0.04 0.18 -0.04 3.65 3.98 1hrv11 ARG 256 H -0.09 0.67 0.24 -0.55 8.46 8.73 1hrv11 ARG 256 HA -0.06 0.05 0.71 -0.75 4.34 4.29 1hrv11 ARG 256 HB2 -0.15 0.09 0.04 -0.04 1.90 1.84 1hrv11 ARG 256 HB3 -0.14 -0.07 0.00 -0.04 1.80 1.55 1hrv11 ARG 256 HG2 -0.02 -0.03 -0.47 -0.04 1.67 1.11 1hrv11 ARG 256 HG3 -0.05 0.18 -0.40 -0.04 1.67 1.35 1hrv11 ARG 256 HD2 -0.02 0.11 -0.44 -0.04 3.22 2.83 1hrv11 ARG 256 HD3 -0.64 0.02 -0.13 -0.04 3.22 2.44 1hrv11 ALA 257 H -0.07 0.03 0.11 -0.55 8.40 7.92 1hrv11 ALA 257 HA -0.05 0.06 0.52 -0.75 4.34 4.12 1hrv11 ALA 257 HB3 -0.05 -0.01 0.10 -0.04 1.41 1.41 1hrv11 PRO 258 HA -0.01 0.14 0.36 -0.51 4.44 4.42 1hrv11 PRO 258 HB2 -0.01 0.06 -0.08 -0.04 2.28 2.21 1hrv11 PRO 258 HB3 -0.00 0.03 0.09 -0.04 2.02 2.10 1hrv11 PRO 258 HG2 -0.02 -0.01 0.05 -0.04 2.03 2.01 1hrv11 PRO 258 HG3 -0.03 0.05 0.08 -0.04 2.03 2.09 1hrv11 PRO 258 HD2 -0.03 0.02 0.20 -0.04 3.68 3.83 1hrv11 PRO 258 HD3 -0.04 0.18 0.26 -0.04 3.65 4.00 1hrv11 ARG 259 H 0.03 0.12 0.12 -0.55 8.46 8.18 1hrv11 ARG 259 HA -0.04 0.06 0.44 -0.75 4.34 4.05 1hrv11 ARG 259 HB2 0.05 0.00 0.09 -0.04 1.90 2.00 1hrv11 ARG 259 HB3 -0.10 -0.01 -0.06 -0.04 1.80 1.59 1hrv11 ARG 259 HG2 -0.21 -0.05 -0.10 -0.04 1.67 1.26 1hrv11 ARG 259 HG3 -0.09 -0.03 0.05 -0.04 1.67 1.56 1hrv11 ARG 259 HD2 -0.66 -0.06 -0.06 -0.04 3.22 2.39 1hrv11 ARG 259 HD3 -1.18 -0.03 -0.12 -0.04 3.22 1.86 1hrv11 ALA 260 H -0.11 0.02 0.21 -0.55 8.40 7.96 1hrv11 ALA 260 HA -0.07 0.20 0.75 -0.75 4.34 4.46 1hrv11 ALA 260 HB3 -0.10 -0.02 0.03 -0.04 1.41 1.29 1hrv11 LEU 261 H -0.19 -0.02 0.14 -0.55 8.37 7.75 1hrv11 LEU 261 HA -0.11 0.12 0.61 -0.75 4.35 4.22 1hrv11 LEU 261 HB2 -0.24 0.04 0.10 -0.04 1.64 1.50 1hrv11 LEU 261 HB3 -0.11 0.04 0.18 -0.04 1.64 1.72 1hrv11 LEU 261 HG -0.36 -0.09 0.07 -0.04 1.64 1.22 1hrv11 LEU 261 HD13 -0.86 -0.00 0.01 -0.04 0.93 0.03 1hrv11 LEU 261 HD23 -0.13 0.01 -0.10 -0.04 0.89 0.63 1hrv11 PRO 262 HA -0.10 0.05 0.48 -0.51 4.44 4.36 1hrv11 PRO 262 HB2 0.04 0.13 0.06 -0.04 2.28 2.47 1hrv11 PRO 262 HB3 0.01 0.00 0.14 -0.04 2.02 2.13 1hrv11 PRO 262 HG2 0.04 0.02 0.12 -0.04 2.03 2.16 1hrv11 PRO 262 HG3 0.02 0.02 0.10 -0.04 2.03 2.13 1hrv11 PRO 262 HD2 -0.03 0.04 0.27 -0.04 3.68 3.92 1hrv11 PRO 262 HD3 -0.04 0.19 0.13 -0.04 3.65 3.89 1hrv11 TYR 263 H 0.12 0.07 0.17 -0.55 8.29 8.10 1hrv11 TYR 263 HA 0.08 0.25 0.68 -0.75 4.56 4.82 1hrv11 TYR 263 HB2 0.04 -0.06 0.01 -0.04 3.06 3.01 1hrv11 TYR 263 HB3 0.05 0.01 -0.09 -0.04 2.98 2.91 1hrv11 TYR 263 HD2 0.05 -0.00 0.02 -0.04 7.15 7.17 1hrv11 TYR 263 HE2 0.05 0.00 -0.03 -0.04 6.85 6.83 1hrv11 THR 264 H 0.21 0.14 0.22 -0.55 8.28 8.30 1hrv11 THR 264 HA 0.10 0.18 0.86 -0.75 4.39 4.78 1hrv11 THR 264 HB 0.07 -0.04 -0.04 -0.04 4.32 4.27 1hrv11 THR 264 HG23 0.09 0.05 -0.36 -0.04 1.22 0.95 1hrv11 SER 265 H 0.14 0.14 0.18 -0.55 8.46 8.37 1hrv11 SER 265 HA 0.06 0.12 0.79 -0.75 4.49 4.70 1hrv11 SER 265 HB2 0.07 0.02 -0.30 -0.04 3.95 3.70 1hrv11 SER 265 HB3 0.08 -0.06 -0.02 -0.04 3.93 3.89 1hrv11 ILE 266 H 0.03 0.14 0.16 -0.55 8.25 8.03 1hrv11 ILE 266 HA -0.03 0.23 0.70 -0.75 4.18 4.33 1hrv11 ILE 266 HB 0.03 -0.04 0.20 -0.04 1.89 2.04 1hrv11 ILE 266 HG12 0.00 -0.16 -0.29 -0.04 1.49 1.01 1hrv11 ILE 266 HG13 0.01 0.17 0.01 -0.04 1.21 1.35 1hrv11 ILE 266 HG23 -0.00 -0.01 -0.11 -0.04 0.93 0.77 1hrv11 ILE 266 HD13 0.07 -0.01 -0.01 -0.04 0.88 0.89 1hrv11 GLY 267 H -0.03 0.27 0.24 -0.55 8.43 8.36 1hrv11 GLY 267 HA2 -0.05 0.04 0.35 -0.51 4.01 3.84 1hrv11 GLY 267 HA3 -0.01 0.01 0.26 -0.51 4.01 3.75 1hrv11 ARG 268 H 0.06 0.33 -0.33 -0.55 8.46 7.96 1hrv11 ARG 268 HA 0.07 0.13 0.85 -0.75 4.34 4.64 1hrv11 ARG 268 HB2 0.11 -0.14 0.12 -0.04 1.90 1.95 1hrv11 ARG 268 HB3 0.09 0.11 0.15 -0.04 1.80 2.11 1hrv11 ARG 268 HG2 0.08 -0.03 -0.09 -0.04 1.67 1.59 1hrv11 ARG 268 HG3 0.08 0.00 -0.03 -0.04 1.67 1.68 1hrv11 ARG 268 HD2 0.05 -0.00 -0.41 -0.04 3.22 2.82 1hrv11 ARG 268 HD3 0.05 0.27 -0.14 -0.04 3.22 3.36 1hrv11 THR 269 H 0.14 0.12 0.16 -0.55 8.28 8.16 1hrv11 THR 269 HA 0.22 0.21 0.57 -0.75 4.39 4.64 1hrv11 THR 269 HB 0.20 0.06 0.11 -0.04 4.32 4.65 1hrv11 THR 269 HG23 0.25 0.01 0.01 -0.04 1.22 1.45 1hrv11 ASN 270 H 0.13 -0.08 -0.21 -0.55 8.53 7.82 1hrv11 ASN 270 HA 0.06 0.00 0.31 -0.75 4.76 4.38 1hrv11 ASN 270 HB2 0.07 -0.04 -0.20 -0.04 2.88 2.67 1hrv11 ASN 270 HB3 -0.01 0.10 -0.08 -0.04 2.79 2.76 1hrv11 ASN 270 HD21 0.06 0.01 -0.03 -0.04 7.03 7.03 1hrv11 ASN 270 HD22 0.05 0.02 -0.10 -0.04 7.74 7.67 1hrv11 TYR 271 H -0.13 0.09 0.20 -0.55 8.29 7.90 1hrv11 TYR 271 HA 0.02 0.32 0.69 -0.75 4.56 4.83 1hrv11 TYR 271 HB2 -0.01 0.07 0.10 -0.04 3.06 3.17 1hrv11 TYR 271 HB3 -0.02 0.10 0.02 -0.04 2.98 3.04 1hrv11 TYR 271 HD2 0.01 0.15 -0.05 -0.04 7.15 7.22 1hrv11 TYR 271 HE2 0.01 -0.03 -0.03 -0.04 6.85 6.76 1hrv11 PRO 272 HA 0.02 0.01 0.49 -0.51 4.44 4.45 1hrv11 PRO 272 HB2 0.05 0.15 -0.07 -0.04 2.28 2.37 1hrv11 PRO 272 HB3 0.06 0.02 0.01 -0.04 2.02 2.06 1hrv11 PRO 272 HG2 0.09 -0.02 0.04 -0.04 2.03 2.10 1hrv11 PRO 272 HG3 0.07 0.04 0.00 -0.04 2.03 2.10 1hrv11 PRO 272 HD2 0.19 0.08 0.17 -0.04 3.68 4.08 1hrv11 PRO 272 HD3 0.11 0.22 -0.04 -0.04 3.65 3.91 1hrv11 LYS 273 H 0.00 0.06 0.11 -0.55 8.42 8.04 1hrv11 LYS 273 HA 0.01 0.05 0.29 -0.75 4.32 3.92 1hrv11 LYS 273 HB2 0.01 0.04 -0.21 -0.04 1.87 1.67 1hrv11 LYS 273 HB3 -0.00 -0.05 0.01 -0.04 1.79 1.70 1hrv11 LYS 273 HG2 -0.04 0.02 0.06 -0.04 1.46 1.45 1hrv11 LYS 273 HG3 -0.01 0.00 0.07 -0.04 1.46 1.48 1hrv11 LYS 273 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.62 1hrv11 LYS 273 HD3 -0.03 -0.00 0.00 -0.04 1.68 1.61 1hrv11 LYS 273 HE2 -0.01 0.00 0.01 -0.04 2.99 2.96 1hrv11 LYS 273 HE3 -0.00 0.01 -0.01 -0.04 2.99 2.95 1hrv11 ASN 274 H 0.04 0.04 0.10 -0.55 8.53 8.16 1hrv11 ASN 274 HA 0.03 -0.02 0.40 -0.75 4.76 4.42 1hrv11 ASN 274 HB2 0.02 0.07 0.35 -0.04 2.88 3.29 1hrv11 ASN 274 HB3 0.02 -0.02 0.15 -0.04 2.79 2.90 1hrv11 ASN 274 HD21 0.01 -0.02 -0.02 -0.04 7.03 6.96 1hrv11 ASN 274 HD22 0.02 0.01 0.06 -0.04 7.74 7.79 1hrv11 THR 275 H 0.06 -0.07 -0.02 -0.55 8.28 7.70 1hrv11 THR 275 HA 0.04 0.14 0.47 -0.75 4.39 4.28 1hrv11 THR 275 HB 0.15 0.27 0.02 -0.04 4.32 4.71 1hrv11 THR 275 HG23 0.04 0.00 -0.10 -0.04 1.22 1.12 1hrv11 GLU 276 H 0.01 0.16 0.08 -0.55 8.60 8.30 1hrv11 GLU 276 HA 0.01 0.22 0.92 -0.75 4.29 4.68 1hrv11 GLU 276 HB2 0.00 -0.03 0.02 -0.04 2.09 2.04 1hrv11 GLU 276 HB3 0.00 0.12 -0.01 -0.04 1.99 2.06 1hrv11 GLU 276 HG2 0.01 0.03 -0.00 -0.04 2.34 2.34 1hrv11 GLU 276 HG3 0.01 -0.03 -0.20 -0.04 2.34 2.07 1hrv11 PRO 277 HA -0.01 -0.06 0.41 -0.51 4.44 4.27 1hrv11 PRO 277 HB2 -0.01 0.10 0.05 -0.04 2.28 2.38 1hrv11 PRO 277 HB3 -0.01 0.01 0.12 -0.04 2.02 2.10 1hrv11 PRO 277 HG2 -0.00 0.04 0.09 -0.04 2.03 2.11 1hrv11 PRO 277 HG3 0.00 0.03 0.10 -0.04 2.03 2.12 1hrv11 PRO 277 HD2 -0.00 0.14 0.10 -0.04 3.68 3.88 1hrv11 PRO 277 HD3 0.00 0.12 0.21 -0.04 3.65 3.94 1hrv11 VAL 278 H -0.03 0.04 0.20 -0.55 8.24 7.90 1hrv11 VAL 278 HA -0.02 0.16 0.66 -0.75 4.13 4.17 1hrv11 VAL 278 HB -0.05 0.09 0.04 -0.04 2.12 2.16 1hrv11 VAL 278 HG13 -0.06 -0.03 0.07 -0.04 0.97 0.91 1hrv11 VAL 278 HG23 -0.05 -0.00 -0.04 -0.04 0.95 0.82 1hrv11 ILE 279 H -0.02 -0.01 -0.01 -0.55 8.25 7.67 1hrv11 ILE 279 HA -0.02 0.16 0.68 -0.75 4.18 4.26 1hrv11 ILE 279 HB -0.02 -0.06 0.09 -0.04 1.89 1.86 1hrv11 ILE 279 HG12 -0.02 0.08 -0.06 -0.04 1.49 1.44 1hrv11 ILE 279 HG13 -0.03 -0.12 0.00 -0.04 1.21 1.02 1hrv11 ILE 279 HG23 -0.01 0.03 -0.16 -0.04 0.93 0.75 1hrv11 ILE 279 HD13 -0.02 0.00 -0.01 -0.04 0.88 0.81 1hrv11 LYS 280 H -0.01 0.16 0.09 -0.55 8.42 8.10 1hrv11 LYS 280 HA -0.01 0.02 0.26 -0.75 4.32 3.83 1hrv11 LYS 280 HB2 -0.00 -0.05 0.13 -0.04 1.87 1.91 1hrv11 LYS 280 HB3 -0.00 0.05 -0.20 -0.04 1.79 1.59 1hrv11 LYS 280 HG2 -0.00 0.01 -0.02 -0.04 1.46 1.41 1hrv11 LYS 280 HG3 -0.00 0.03 0.02 -0.04 1.46 1.47 1hrv11 LYS 280 HD2 -0.00 -0.02 -0.02 -0.04 1.69 1.61 1hrv11 LYS 280 HD3 0.00 -0.00 -0.04 -0.04 1.68 1.59 1hrv11 LYS 280 HE2 -0.00 0.03 0.00 -0.04 2.99 2.98 1hrv11 LYS 280 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 1hrv11 LYS 281 H -0.01 0.09 0.15 -0.55 8.42 8.10 1hrv11 LYS 281 HA -0.01 0.06 0.41 -0.75 4.32 4.02 1hrv11 LYS 281 HB2 -0.01 -0.00 0.12 -0.04 1.87 1.94 1hrv11 LYS 281 HB3 -0.00 -0.03 0.08 -0.04 1.79 1.79 1hrv11 LYS 281 HG2 -0.01 0.36 -0.14 -0.04 1.46 1.63 1hrv11 LYS 281 HG3 -0.01 -0.08 0.08 -0.04 1.46 1.41 1hrv11 LYS 281 HD2 -0.01 -0.04 0.02 -0.04 1.69 1.63 1hrv11 LYS 281 HD3 -0.00 -0.03 0.00 -0.04 1.68 1.61 1hrv11 LYS 281 HE2 -0.01 -0.03 0.02 -0.04 2.99 2.93 1hrv11 LYS 281 HE3 -0.01 0.06 0.04 -0.04 2.99 3.04 1hrv11 ARG 282 H -0.01 0.07 0.14 -0.55 8.46 8.11 1hrv11 ARG 282 HA -0.01 0.06 0.32 -0.75 4.34 3.96 1hrv11 ARG 282 HB2 -0.01 -0.01 -0.03 -0.04 1.90 1.80 1hrv11 ARG 282 HB3 -0.02 -0.01 -0.41 -0.04 1.80 1.31 1hrv11 ARG 282 HG2 -0.01 0.01 -0.01 -0.04 1.67 1.61 1hrv11 ARG 282 HG3 -0.02 -0.07 -0.04 -0.04 1.67 1.51 1hrv11 ARG 282 HD2 -0.03 0.59 -0.13 -0.04 3.22 3.61 1hrv11 ARG 282 HD3 -0.02 -0.07 -0.12 -0.04 3.22 2.96 1hrv11 LYS 283 H -0.00 0.15 -0.01 -0.55 8.42 8.00 1hrv11 LYS 283 HA -0.01 0.11 0.63 -0.75 4.32 4.29 1hrv11 LYS 283 HB2 -0.00 0.06 0.06 -0.04 1.87 1.95 1hrv11 LYS 283 HB3 -0.00 -0.02 0.22 -0.04 1.79 1.95 1hrv11 LYS 283 HG2 -0.00 -0.02 0.01 -0.04 1.46 1.40 1hrv11 LYS 283 HG3 -0.00 0.01 0.04 -0.04 1.46 1.46 1hrv11 LYS 283 HD2 0.00 0.01 0.03 -0.04 1.69 1.69 1hrv11 LYS 283 HD3 0.00 -0.00 0.07 -0.04 1.68 1.71 1hrv11 LYS 283 HE2 0.00 -0.01 0.02 -0.04 2.99 2.96 1hrv11 LYS 283 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.93 1hrv11 GLY 284 H -0.01 0.42 -0.08 -0.55 8.43 8.21 1hrv11 GLY 284 HA2 -0.02 -0.01 0.18 -0.51 4.01 3.65 1hrv11 GLY 284 HA3 -0.02 0.18 0.82 -0.51 4.01 4.48 1hrv11 ASP 285 H -0.04 0.08 0.09 -0.55 8.40 7.99 1hrv11 ASP 285 HA -0.03 0.12 0.61 -0.75 4.63 4.58 1hrv11 ASP 285 HB2 -0.06 0.09 0.04 -0.04 2.71 2.74 1hrv11 ASP 285 HB3 -0.08 -0.20 -0.24 -0.04 2.70 2.14 1hrv11 ILE 286 H -0.04 0.14 0.16 -0.55 8.25 7.97 1hrv11 ILE 286 HA -0.04 0.17 0.49 -0.75 4.18 4.06 1hrv11 ILE 286 HB -0.03 -0.03 0.16 -0.04 1.89 1.96 1hrv11 ILE 286 HG12 -0.03 0.05 0.06 -0.04 1.49 1.53 1hrv11 ILE 286 HG13 -0.02 0.02 0.07 -0.04 1.21 1.24 1hrv11 ILE 286 HG23 -0.04 -0.01 -0.12 -0.04 0.93 0.72 1hrv11 ILE 286 HD13 -0.02 -0.00 0.01 -0.04 0.88 0.83 1hrv11 LYS 287 H -0.07 -0.04 -0.14 -0.55 8.42 7.61 1hrv11 LYS 287 HA -0.14 0.16 0.33 -0.75 4.32 3.92 1hrv11 LYS 287 HB2 -0.09 -0.08 0.01 -0.04 1.87 1.67 1hrv11 LYS 287 HB3 -0.14 0.04 0.04 -0.04 1.79 1.69 1hrv11 LYS 287 HG2 -0.06 0.04 0.02 -0.04 1.46 1.41 1hrv11 LYS 287 HG3 -0.06 0.03 -0.02 -0.04 1.46 1.36 1hrv11 LYS 287 HD2 -0.04 0.03 0.02 -0.04 1.69 1.66 1hrv11 LYS 287 HD3 -0.05 -0.13 0.07 -0.04 1.68 1.52 1hrv11 LYS 287 HE2 -0.03 -0.02 0.02 -0.04 2.99 2.91 1hrv11 LYS 287 HE3 -0.05 0.03 0.00 -0.04 2.99 2.93 1hrv11 SER 288 H -0.11 0.12 -0.70 -0.55 8.46 7.22 1hrv11 SER 288 HA -0.19 -0.02 0.31 -0.75 4.49 3.84 1hrv11 SER 288 HB2 -0.07 0.33 -0.13 -0.04 3.95 4.05 1hrv11 SER 288 HB3 -0.04 -0.02 -0.35 -0.04 3.93 3.47 1hrv11 TYR 289 H -0.02 0.10 0.06 -0.55 8.29 7.88 1hrv11 TYR 289 HA -0.00 0.32 0.45 -0.75 4.56 4.57 1hrv11 TYR 289 HB2 -0.00 -0.03 0.09 -0.04 3.06 3.07 1hrv11 TYR 289 HB3 -0.00 0.02 0.06 -0.04 2.98 3.01 1hrv11 TYR 289 HD2 -0.00 -0.01 -0.02 -0.04 7.15 7.08 1hrv11 TYR 289 HE2 -0.00 -0.02 -0.02 -0.04 6.85 6.76