============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 17 1.000 15.906 73.657 20.693 -99.200 -91.000 TYR 19 0.840 17.892 81.944 13.844 -99.200 -91.000 PHE 24 1.000 13.525 67.660 12.474 -99.200 -91.000 PHE 29 1.000 5.201 72.696 5.291 -99.200 -91.000 TYR 81 0.840 20.551 73.478 22.913 -99.200 -91.000 TYR 83 0.840 14.959 68.651 32.011 -99.200 -91.000 TYR 85 0.840 10.857 74.270 22.484 -99.200 -91.000 TRP 104 1.040 4.197 52.203 24.941 -99.200 -91.000 TRP6 104 1.020 2.314 51.471 26.167 -99.200 -91.000 PHE 105 1.000 11.065 47.109 28.245 -99.200 -91.000 PHE 110 1.000 15.102 45.487 23.160 -99.200 -91.000 PHE 116 1.000 16.820 54.005 24.556 -99.200 -91.000 TYR 123 0.840 19.406 64.784 29.492 -99.200 -91.000 TYR 124 0.840 14.465 62.964 25.162 -99.200 -91.000 PHE 129 1.000 3.385 52.568 30.075 -99.200 -91.000 PHE 133 1.000 6.126 45.497 21.993 -99.200 -91.000 TRP 144 1.040 0.953 56.930 27.242 -99.200 -91.000 TRP6 144 1.020 2.112 58.301 25.698 -99.200 -91.000 TYR 167 0.840 5.334 49.485 18.325 -99.200 -91.000 PHE 174 1.000 -1.944 75.514 20.334 -99.200 -91.000 TRP 178 1.040 -9.031 82.288 16.969 -99.200 -91.000 TRP6 178 1.020 -6.922 81.911 15.964 -99.200 -91.000 TYR 182 0.840 -11.719 84.832 13.184 -99.200 -91.000 HIS 188 0.900 -20.210 85.068 2.563 -99.200 -91.000 PHE 192 1.000 -14.120 75.649 -2.875 -99.200 -91.000 TYR 196 0.840 -9.043 65.861 -7.856 -99.200 -91.000 PHE 204 1.000 -12.398 81.407 2.457 -99.200 -91.000 TYR 212 0.840 1.456 92.649 4.745 -99.200 -91.000 PHE 221 1.000 -3.820 86.098 8.843 -99.200 -91.000 TYR 225 0.840 -3.649 80.192 18.595 -99.200 -91.000 HIS 229 0.900 2.220 82.285 27.595 -99.200 -91.000 TYR 230 0.840 2.112 78.004 22.952 -99.200 -91.000 PHE 232 1.000 -3.508 79.806 11.764 -99.200 -91.000 TYR 246 0.840 6.562 80.139 -0.728 -99.200 -91.000 PHE 255 1.000 7.995 79.302 9.948 -99.200 -91.000 PHE 274 1.000 -7.225 74.919 8.850 -99.200 -91.000 TYR 276 0.840 -6.285 69.224 7.905 -99.200 -91.000 TYR 278 0.840 -0.795 64.636 6.403 -99.200 -91.000 PHE 295 1.000 13.882 55.543 8.373 -99.200 -91.000 PHE 302 1.000 18.139 52.523 15.487 -99.200 -91.000 TYR 314 0.840 14.169 46.870 9.944 -99.200 -91.000 HIS 320 0.900 3.993 63.725 12.831 -99.200 -91.000 PHE 323 1.000 -8.799 67.045 15.597 -99.200 -91.000 PHE 350 1.000 4.141 52.097 -3.838 -99.200 -91.000 PHE 359 1.000 -4.280 80.067 4.632 -99.200 -91.000 PHE 361 1.000 -2.391 74.971 8.952 -99.200 -91.000 PHE 373 1.000 0.310 70.539 16.167 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2vh4A1 ASP 43 HA -0.02 -0.02 0.19 -0.75 4.63 4.02 2vh4A1 ASP 43 HB2 -0.03 -0.20 0.15 -0.04 2.71 2.59 2vh4A1 ASP 43 HB3 -0.01 -0.01 0.01 -0.04 2.70 2.65 2vh4A1 ARG 44 H -0.02 0.04 0.08 -0.55 8.46 8.01 2vh4A1 ARG 44 HA -0.01 0.12 0.65 -0.75 4.34 4.34 2vh4A1 ARG 44 HB2 0.01 -0.02 0.09 -0.04 1.90 1.93 2vh4A1 ARG 44 HB3 0.01 -0.07 0.12 -0.04 1.80 1.82 2vh4A1 ARG 44 HG2 0.01 -0.03 -0.03 -0.04 1.67 1.58 2vh4A1 ARG 44 HG3 -0.01 0.01 -0.09 -0.04 1.67 1.55 2vh4A1 ILE 45 H -0.02 0.03 0.04 -0.55 8.25 7.75 2vh4A1 ILE 45 HA -0.03 0.02 0.53 -0.75 4.18 3.95 2vh4A1 ILE 45 HB -0.04 -0.00 0.09 -0.04 1.89 1.89 2vh4A1 ILE 45 HG12 -0.04 -0.03 -0.12 -0.04 1.49 1.25 2vh4A1 ILE 45 HG13 -0.03 0.02 -0.04 -0.04 1.21 1.12 2vh4A1 ILE 45 HG23 -0.06 0.02 -0.31 -0.04 0.93 0.55 2vh4A1 ILE 45 HD13 -0.00 -0.03 -0.02 -0.04 0.88 0.79 2vh4A1 LYS 46 H -0.03 0.13 0.13 -0.55 8.42 8.09 2vh4A1 LYS 46 HA -0.03 0.15 0.66 -0.75 4.32 4.35 2vh4A1 LYS 46 HB2 -0.03 -0.08 0.10 -0.04 1.87 1.82 2vh4A1 LYS 46 HB3 -0.03 0.04 -0.04 -0.04 1.79 1.73 2vh4A1 LYS 46 HG2 -0.02 0.04 -0.12 -0.04 1.46 1.33 2vh4A1 LYS 46 HG3 -0.02 0.23 -0.15 -0.04 1.46 1.47 2vh4A1 ALA 47 H -0.04 0.17 0.07 -0.55 8.40 8.05 2vh4A1 ALA 47 HA -0.06 -0.05 0.22 -0.75 4.34 3.69 2vh4A1 ALA 47 HB3 -0.03 0.04 -0.01 -0.04 1.41 1.37 2vh4A1 ASN 48 H -0.11 0.06 0.14 -0.55 8.53 8.08 2vh4A1 ASN 48 HA -0.07 0.18 0.87 -0.75 4.76 4.99 2vh4A1 ASN 48 HB2 -0.12 -0.08 0.10 -0.04 2.88 2.74 2vh4A1 ASN 48 HB3 -0.10 0.09 0.04 -0.04 2.79 2.78 2vh4A1 ASN 48 HD21 -0.04 -0.05 0.00 -0.04 7.03 6.89 2vh4A1 ASN 48 HD22 -0.06 0.00 0.04 -0.04 7.74 7.69 2vh4A1 PRO 49 HA -0.11 0.08 0.56 -0.51 4.44 4.46 2vh4A1 PRO 49 HB2 -0.07 -0.03 0.00 -0.04 2.28 2.14 2vh4A1 PRO 49 HB3 -0.05 0.03 0.08 -0.04 2.02 2.04 2vh4A1 PRO 49 HG2 -0.04 -0.01 0.07 -0.04 2.03 2.01 2vh4A1 PRO 49 HG3 -0.04 0.06 0.07 -0.04 2.03 2.08 2vh4A1 PRO 49 HD2 -0.06 0.04 0.21 -0.04 3.68 3.83 2vh4A1 PRO 49 HD3 -0.05 0.21 0.20 -0.04 3.65 3.96 2vh4A1 VAL 50 H -0.26 0.22 0.20 -0.55 8.24 7.85 2vh4A1 VAL 50 HA -0.24 0.12 0.79 -0.75 4.13 4.05 2vh4A1 VAL 50 HB -0.51 -0.04 0.05 -0.04 2.12 1.57 2vh4A1 VAL 50 HG13 -0.79 0.03 -0.22 -0.04 0.97 -0.04 2vh4A1 VAL 50 HG23 -1.13 0.02 -0.09 -0.04 0.95 -0.30 2vh4A1 SER 51 H -0.10 0.09 0.11 -0.55 8.46 8.01 2vh4A1 SER 51 HA -0.02 0.08 0.67 -0.75 4.49 4.46 2vh4A1 SER 51 HB2 -0.02 -0.04 0.09 -0.04 3.95 3.94 2vh4A1 SER 51 HB3 -0.01 0.12 0.04 -0.04 3.93 4.03 2vh4A1 GLU 52 H 0.05 0.08 0.16 -0.55 8.60 8.35 2vh4A1 GLU 52 HA 0.18 0.16 0.63 -0.75 4.29 4.51 2vh4A1 GLU 52 HB2 0.05 -0.05 0.08 -0.04 2.09 2.14 2vh4A1 GLU 52 HB3 0.06 -0.02 -0.06 -0.04 1.99 1.92 2vh4A1 GLU 52 HG2 0.18 0.06 0.00 -0.04 2.34 2.53 2vh4A1 GLU 52 HG3 0.18 0.03 0.02 -0.04 2.34 2.53 2vh4A1 LYS 53 H 0.02 0.31 0.01 -0.55 8.42 8.21 2vh4A1 LYS 53 HA -0.07 0.10 0.61 -0.75 4.32 4.20 2vh4A1 LYS 53 HB2 -0.21 0.02 -0.09 -0.04 1.87 1.55 2vh4A1 LYS 53 HB3 -0.38 -0.02 -0.08 -0.04 1.79 1.27 2vh4A1 LYS 53 HG2 -0.44 0.10 -0.15 -0.04 1.46 0.92 2vh4A1 LYS 53 HG3 -0.22 -0.00 0.03 -0.04 1.46 1.23 2vh4A1 LYS 53 HD2 -0.42 -0.02 0.01 -0.04 1.69 1.23 2vh4A1 LYS 53 HD3 -1.50 0.02 0.01 -0.04 1.68 0.18 2vh4A1 LYS 53 HE2 -0.26 -0.07 0.01 -0.04 2.99 2.62 2vh4A1 LYS 53 HE3 -0.27 -0.01 -0.02 -0.04 2.99 2.65 2vh4A1 ASN 54 H -0.00 0.12 -0.04 -0.55 8.53 8.06 2vh4A1 ASN 54 HA 0.04 0.02 0.33 -0.75 4.76 4.40 2vh4A1 ASN 54 HB2 0.04 -0.06 0.07 -0.04 2.88 2.89 2vh4A1 ASN 54 HB3 0.06 0.14 -0.03 -0.04 2.79 2.92 2vh4A1 ASN 54 HD21 0.02 0.01 0.00 -0.04 7.03 7.03 2vh4A1 ASN 54 HD22 0.03 -0.01 0.01 -0.04 7.74 7.73 2vh4A1 ILE 55 H 0.06 0.11 0.17 -0.55 8.25 8.05 2vh4A1 ILE 55 HA 0.10 0.00 0.58 -0.75 4.18 4.11 2vh4A1 ILE 55 HB 0.09 0.02 0.10 -0.04 1.89 2.07 2vh4A1 ILE 55 HG12 0.05 -0.00 0.04 -0.04 1.49 1.53 2vh4A1 ILE 55 HG13 0.16 0.04 -0.01 -0.04 1.21 1.36 2vh4A1 ILE 55 HG23 0.14 -0.01 -0.06 -0.04 0.93 0.96 2vh4A1 ILE 55 HD13 -0.39 0.04 0.03 -0.04 0.88 0.51 2vh4A1 ASP 56 H 0.14 0.07 0.25 -0.55 8.40 8.32 2vh4A1 ASP 56 HA 0.11 0.27 0.78 -0.75 4.63 5.03 2vh4A1 ASP 56 HB2 0.12 -0.14 0.15 -0.04 2.71 2.80 2vh4A1 ASP 56 HB3 0.14 0.20 -0.17 -0.04 2.70 2.82 2vh4A1 GLU 57 H 0.12 0.23 0.16 -0.55 8.60 8.56 2vh4A1 GLU 57 HA 0.23 0.14 0.39 -0.75 4.29 4.29 2vh4A1 GLU 57 HB2 0.10 -0.02 0.14 -0.04 2.09 2.26 2vh4A1 GLU 57 HB3 0.15 0.04 0.03 -0.04 1.99 2.17 2vh4A1 GLU 57 HG2 0.19 0.06 0.06 -0.04 2.34 2.61 2vh4A1 GLU 57 HG3 0.10 0.01 0.10 -0.04 2.34 2.51 2vh4A1 LYS 58 H 0.11 0.10 -0.15 -0.55 8.42 7.92 2vh4A1 LYS 58 HA 0.07 0.09 0.39 -0.75 4.32 4.12 2vh4A1 LYS 58 HB2 0.08 0.03 0.07 -0.04 1.87 2.02 2vh4A1 LYS 58 HB3 0.12 -0.02 0.05 -0.04 1.79 1.90 2vh4A1 LYS 58 HG2 0.03 0.03 -0.29 -0.04 1.46 1.19 2vh4A1 LYS 58 HG3 0.04 0.01 -0.01 -0.04 1.46 1.46 2vh4A1 LYS 58 HD2 0.17 0.00 -0.04 -0.04 1.69 1.78 2vh4A1 LYS 58 HD3 0.12 0.02 -0.09 -0.04 1.68 1.69 2vh4A1 LYS 58 HE2 0.07 -0.02 -0.01 -0.04 2.99 2.99 2vh4A1 LYS 58 HE3 0.07 0.03 -0.03 -0.04 2.99 3.02 2vh4A1 PHE 59 H -0.01 0.08 -0.14 -0.55 8.34 7.72 2vh4A1 PHE 59 HA -0.41 0.09 0.46 -0.75 4.62 4.01 2vh4A1 PHE 59 HB2 -1.48 0.02 0.10 -0.04 3.15 1.75 2vh4A1 PHE 59 HB3 -0.36 -0.06 0.17 -0.04 3.06 2.77 2vh4A1 PHE 59 HD2 -0.47 -0.01 -0.09 -0.04 7.28 6.66 2vh4A1 PHE 59 HE2 -0.58 0.02 -0.09 -0.04 7.38 6.69 2vh4A1 PHE 59 HZ -0.38 0.04 -0.09 -0.04 7.32 6.84 2vh4A1 ILE 60 H 0.04 0.51 -0.07 -0.55 8.25 8.18 2vh4A1 ILE 60 HA -0.22 0.03 0.34 -0.75 4.18 3.57 2vh4A1 ILE 60 HB -0.03 0.00 0.16 -0.04 1.89 1.98 2vh4A1 ILE 60 HG12 0.01 -0.03 0.04 -0.04 1.49 1.47 2vh4A1 ILE 60 HG13 0.11 -0.07 0.03 -0.04 1.21 1.24 2vh4A1 ILE 60 HG23 -0.41 0.01 -0.11 -0.04 0.93 0.37 2vh4A1 ILE 60 HD13 0.05 0.01 -0.11 -0.04 0.88 0.78 2vh4A1 TYR 61 H 0.11 0.71 -0.03 -0.55 8.29 8.53 2vh4A1 TYR 61 HA -0.05 0.05 0.36 -0.75 4.56 4.16 2vh4A1 TYR 61 HB2 -0.03 0.13 0.11 -0.04 3.06 3.24 2vh4A1 TYR 61 HB3 -0.03 -0.07 0.01 -0.04 2.98 2.85 2vh4A1 TYR 61 HD2 -0.00 0.04 0.08 -0.04 7.15 7.22 2vh4A1 TYR 61 HE2 0.01 0.01 0.03 -0.04 6.85 6.86 2vh4A1 ASN 62 H -0.05 0.58 -0.12 -0.55 8.53 8.39 2vh4A1 ASN 62 HA -0.01 0.02 0.59 -0.75 4.76 4.61 2vh4A1 ASN 62 HB2 -0.13 0.18 0.22 -0.04 2.88 3.10 2vh4A1 ASN 62 HB3 -0.09 0.03 -0.04 -0.04 2.79 2.65 2vh4A1 ASN 62 HD21 0.01 -0.16 0.09 -0.04 7.03 6.93 2vh4A1 ASN 62 HD22 -0.01 0.24 0.13 -0.04 7.74 8.06 2vh4A1 THR 63 H -0.38 0.64 -0.07 -0.55 8.28 7.91 2vh4A1 THR 63 HA -0.18 0.13 0.55 -0.75 4.39 4.14 2vh4A1 THR 63 HB -0.71 0.09 0.09 -0.04 4.32 3.74 2vh4A1 THR 63 HG23 -0.33 -0.02 -0.04 -0.04 1.22 0.79 2vh4A1 ALA 64 H -0.19 0.45 -0.21 -0.55 8.40 7.91 2vh4A1 ALA 64 HA -0.13 0.05 0.53 -0.75 4.34 4.04 2vh4A1 ALA 64 HB3 -0.09 0.07 0.05 -0.04 1.41 1.40 2vh4A1 ASP 65 H -0.03 0.40 -0.35 -0.55 8.40 7.87 2vh4A1 ASP 65 HA -0.01 -0.19 0.45 -0.75 4.63 4.12 2vh4A1 ASP 65 HB2 0.03 0.04 0.21 -0.04 2.71 2.94 2vh4A1 ASP 65 HB3 0.02 0.23 0.18 -0.04 2.70 3.09 2vh4A1 PHE 66 H 0.10 0.51 -0.07 -0.55 8.34 8.33 2vh4A1 PHE 66 HA -0.05 0.08 0.53 -0.75 4.62 4.44 2vh4A1 PHE 66 HB2 -0.06 0.19 0.19 -0.04 3.15 3.43 2vh4A1 PHE 66 HB3 -0.11 0.00 0.23 -0.04 3.06 3.15 2vh4A1 PHE 66 HD2 -0.05 0.19 0.02 -0.04 7.28 7.40 2vh4A1 PHE 66 HE2 -0.01 0.03 -0.06 -0.04 7.38 7.30 2vh4A1 PHE 66 HZ -0.01 -0.09 -0.16 -0.04 7.32 7.02 2vh4A1 SER 67 H -0.00 0.57 -0.22 -0.55 8.46 8.26 2vh4A1 SER 67 HA -0.35 -0.04 0.33 -0.75 4.49 3.68 2vh4A1 SER 67 HB2 -0.19 0.05 0.20 -0.04 3.95 3.97 2vh4A1 SER 67 HB3 -0.22 -0.03 0.01 -0.04 3.93 3.64 2vh4A1 ILE 68 H -0.17 0.61 -0.05 -0.55 8.25 8.09 2vh4A1 ILE 68 HA -0.13 0.03 0.46 -0.75 4.18 3.79 2vh4A1 ILE 68 HB -0.09 -0.01 -0.08 -0.04 1.89 1.67 2vh4A1 ILE 68 HG12 -0.28 0.13 0.02 -0.04 1.49 1.32 2vh4A1 ILE 68 HG13 -0.12 0.05 -0.22 -0.04 1.21 0.88 2vh4A1 ILE 68 HG23 -0.02 -0.00 -0.35 -0.04 0.93 0.51 2vh4A1 ILE 68 HD13 -0.79 -0.01 -0.10 -0.04 0.88 -0.05 2vh4A1 GLU 69 H -0.12 0.49 -0.18 -0.55 8.60 8.24 2vh4A1 GLU 69 HA -0.08 0.04 0.48 -0.75 4.29 3.98 2vh4A1 GLU 69 HB2 -0.11 0.12 0.17 -0.04 2.09 2.23 2vh4A1 GLU 69 HB3 -0.07 -0.02 0.02 -0.04 1.99 1.88 2vh4A1 GLU 69 HG2 -0.04 0.12 0.15 -0.04 2.34 2.53 2vh4A1 GLU 69 HG3 -0.02 -0.04 0.03 -0.04 2.34 2.27 2vh4A1 LEU 70 H -0.37 0.78 -0.08 -0.55 8.37 8.15 2vh4A1 LEU 70 HA -0.23 0.03 0.41 -0.75 4.35 3.81 2vh4A1 LEU 70 HB2 -1.00 0.09 0.06 -0.04 1.64 0.75 2vh4A1 LEU 70 HB3 -0.43 0.09 0.10 -0.04 1.64 1.36 2vh4A1 LEU 70 HG -0.18 -0.03 -0.18 -0.04 1.64 1.20 2vh4A1 LEU 70 HD13 -0.15 -0.01 -0.08 -0.04 0.93 0.65 2vh4A1 LEU 70 HD23 -0.25 -0.02 -0.09 -0.04 0.89 0.49 2vh4A1 PHE 71 H -0.05 0.53 -0.24 -0.55 8.34 8.03 2vh4A1 PHE 71 HA -0.13 -0.04 0.38 -0.75 4.62 4.08 2vh4A1 PHE 71 HB2 -0.20 0.02 0.09 -0.04 3.15 3.02 2vh4A1 PHE 71 HB3 -0.18 0.14 0.21 -0.04 3.06 3.18 2vh4A1 PHE 71 HD2 -0.12 0.01 -0.06 -0.04 7.28 7.07 2vh4A1 PHE 71 HE2 -0.10 -0.04 -0.17 -0.04 7.38 7.02 2vh4A1 PHE 71 HZ -0.10 0.04 -0.16 -0.04 7.32 7.06 2vh4A1 LYS 72 H -0.06 0.71 0.00 -0.55 8.42 8.52 2vh4A1 LYS 72 HA -0.42 -0.02 0.26 -0.75 4.32 3.38 2vh4A1 LYS 72 HB2 -0.12 -0.07 0.07 -0.04 1.87 1.71 2vh4A1 LYS 72 HB3 -0.08 -0.01 0.10 -0.04 1.79 1.76 2vh4A1 LYS 72 HG2 -0.08 0.08 0.15 -0.04 1.46 1.58 2vh4A1 LYS 72 HG3 -0.08 -0.04 -0.10 -0.04 1.46 1.20 2vh4A1 LYS 72 HD2 -0.06 0.18 0.03 -0.04 1.69 1.80 2vh4A1 LYS 72 HD3 -0.04 -0.07 -0.14 -0.04 1.68 1.38 2vh4A1 LYS 72 HE2 -0.05 -0.08 -0.01 -0.04 2.99 2.81 2vh4A1 LYS 72 HE3 -0.05 -0.08 -0.03 -0.04 2.99 2.78 2vh4A1 ASN 73 H -0.13 0.34 -0.56 -0.55 8.53 7.63 2vh4A1 ASN 73 HA -0.09 0.13 0.86 -0.75 4.76 4.91 2vh4A1 ASN 73 HB2 -0.08 0.15 0.07 -0.04 2.88 2.98 2vh4A1 ASN 73 HB3 -0.06 -0.12 0.13 -0.04 2.79 2.70 2vh4A1 ASN 73 HD21 -0.04 -0.04 -0.03 -0.04 7.03 6.87 2vh4A1 ASN 73 HD22 -0.05 -0.04 0.04 -0.04 7.74 7.65 2vh4A1 SER 74 H -0.15 0.39 -0.16 -0.55 8.46 8.00 2vh4A1 SER 74 HA -0.02 -0.01 0.71 -0.75 4.49 4.42 2vh4A1 SER 74 HB2 -0.05 0.10 0.18 -0.04 3.95 4.13 2vh4A1 SER 74 HB3 0.07 -0.17 -0.04 -0.04 3.93 3.75 2vh4A1 ILE 75 H -0.28 0.37 0.01 -0.55 8.25 7.81 2vh4A1 ILE 75 HA -0.08 -0.06 0.26 -0.75 4.18 3.55 2vh4A1 ILE 75 HB -0.18 0.02 0.01 -0.04 1.89 1.70 2vh4A1 ILE 75 HG12 -0.40 0.09 0.02 -0.04 1.49 1.16 2vh4A1 ILE 75 HG13 -0.17 -0.03 -0.06 -0.04 1.21 0.91 2vh4A1 ILE 75 HG23 -0.67 0.03 -0.05 -0.04 0.93 0.20 2vh4A1 ILE 75 HD13 -0.20 -0.02 -0.05 -0.04 0.88 0.57 2vh4A1 ASP 76 H 0.00 0.13 0.10 -0.55 8.40 8.09 2vh4A1 ASP 76 HA -0.01 0.22 0.58 -0.75 4.63 4.67 2vh4A1 ASP 76 HB2 0.03 -0.30 0.16 -0.04 2.71 2.55 2vh4A1 ASP 76 HB3 0.03 0.25 -0.05 -0.04 2.70 2.89 2vh4A1 ASP 77 H 0.03 0.09 -0.07 -0.55 8.40 7.91 2vh4A1 ASP 77 HA 0.03 0.08 0.31 -0.75 4.63 4.29 2vh4A1 ASP 77 HB2 0.05 0.01 0.09 -0.04 2.71 2.81 2vh4A1 ASP 77 HB3 0.03 -0.03 0.06 -0.04 2.70 2.72 2vh4A1 LYS 78 H 0.07 -0.01 -0.38 -0.55 8.42 7.55 2vh4A1 LYS 78 HA 0.06 -0.06 0.39 -0.75 4.32 3.95 2vh4A1 LYS 78 HB2 0.19 -0.02 0.01 -0.04 1.87 2.01 2vh4A1 LYS 78 HB3 0.14 0.22 -0.02 -0.04 1.79 2.09 2vh4A1 LYS 78 HG2 0.10 0.00 0.07 -0.04 1.46 1.59 2vh4A1 LYS 78 HG3 0.09 -0.12 0.03 -0.04 1.46 1.42 2vh4A1 LYS 78 HD2 0.20 -0.02 0.07 -0.04 1.69 1.90 2vh4A1 LYS 78 HD3 0.42 0.08 0.10 -0.04 1.68 2.23 2vh4A1 LYS 78 HE2 0.02 -0.02 0.10 -0.04 2.99 3.06 2vh4A1 LYS 78 HE3 0.03 -0.07 0.07 -0.04 2.99 2.98 2vh4A1 GLU 79 H 0.03 0.03 0.19 -0.55 8.60 8.29 2vh4A1 GLU 79 HA 0.01 0.15 0.36 -0.75 4.29 4.06 2vh4A1 GLU 79 HB2 0.06 0.01 0.11 -0.04 2.09 2.22 2vh4A1 GLU 79 HB3 -0.00 -0.09 0.12 -0.04 1.99 1.98 2vh4A1 GLU 79 HG2 -0.00 -0.08 -0.26 -0.04 2.34 1.96 2vh4A1 GLU 79 HG3 0.04 0.17 -0.26 -0.04 2.34 2.24 2vh4A1 ASN 80 H -0.12 -0.01 0.01 -0.55 8.53 7.87 2vh4A1 ASN 80 HA -0.37 0.39 0.90 -0.75 4.76 4.92 2vh4A1 ASN 80 HB2 -0.44 -0.06 0.15 -0.04 2.88 2.49 2vh4A1 ASN 80 HB3 -1.92 0.05 -0.02 -0.04 2.79 0.86 2vh4A1 ASN 80 HD21 -0.09 -0.01 0.04 -0.04 7.03 6.93 2vh4A1 ASN 80 HD22 -0.20 0.02 0.06 -0.04 7.74 7.57 2vh4A1 SER 81 H -0.18 0.63 0.31 -0.55 8.46 8.67 2vh4A1 SER 81 HA -1.10 0.09 0.49 -0.75 4.49 3.21 2vh4A1 SER 81 HB2 -0.84 -0.03 0.02 -0.04 3.95 3.06 2vh4A1 SER 81 HB3 -0.27 0.09 -0.24 -0.04 3.93 3.48 2vh4A1 LEU 82 H -0.94 0.23 0.02 -0.55 8.37 7.13 2vh4A1 LEU 82 HA 0.03 0.13 0.62 -0.75 4.35 4.38 2vh4A1 LEU 82 HB2 0.29 0.10 -0.25 -0.04 1.64 1.74 2vh4A1 LEU 82 HB3 0.25 -0.07 -0.17 -0.04 1.64 1.61 2vh4A1 LEU 82 HG 0.39 0.01 -0.43 -0.04 1.64 1.58 2vh4A1 LEU 82 HD13 0.30 0.01 -0.21 -0.04 0.93 0.98 2vh4A1 LEU 82 HD23 0.02 -0.02 -0.26 -0.04 0.89 0.59 2vh4A1 ILE 83 H 0.13 0.77 0.30 -0.55 8.25 8.90 2vh4A1 ILE 83 HA 0.49 0.15 0.83 -0.75 4.18 4.89 2vh4A1 ILE 83 HB 0.06 -0.05 -0.03 -0.04 1.89 1.83 2vh4A1 ILE 83 HG12 0.22 0.09 0.03 -0.04 1.49 1.78 2vh4A1 ILE 83 HG13 0.04 -0.08 -0.06 -0.04 1.21 1.07 2vh4A1 ILE 83 HG23 0.25 0.01 -0.20 -0.04 0.93 0.94 2vh4A1 ILE 83 HD13 0.01 0.02 -0.19 -0.04 0.88 0.67 2vh4A1 SER 84 H 0.77 0.17 0.02 -0.55 8.46 8.87 2vh4A1 SER 84 HA -0.23 0.39 0.96 -0.75 4.49 4.86 2vh4A1 SER 84 HB2 -0.78 0.07 0.01 -0.04 3.95 3.21 2vh4A1 SER 84 HB3 0.05 -0.08 0.16 -0.04 3.93 4.03 2vh4A1 PRO 85 HA 0.02 0.02 0.41 -0.51 4.44 4.39 2vh4A1 PRO 85 HB2 -0.01 0.11 -0.01 -0.04 2.28 2.34 2vh4A1 PRO 85 HB3 -0.07 0.02 0.05 -0.04 2.02 1.98 2vh4A1 PRO 85 HG2 -0.16 0.11 -0.04 -0.04 2.03 1.90 2vh4A1 PRO 85 HG3 -0.13 0.04 -0.03 -0.04 2.03 1.88 2vh4A1 PRO 85 HD2 -0.11 0.34 -0.11 -0.04 3.68 3.76 2vh4A1 PRO 85 HD3 -0.07 0.14 -0.35 -0.04 3.65 3.33 2vh4A1 LEU 86 H -0.01 0.33 -0.18 -0.55 8.37 7.97 2vh4A1 LEU 86 HA 0.13 0.07 0.43 -0.75 4.35 4.23 2vh4A1 LEU 86 HB2 0.13 0.04 0.03 -0.04 1.64 1.80 2vh4A1 LEU 86 HB3 -0.00 0.04 0.08 -0.04 1.64 1.71 2vh4A1 LEU 86 HG 0.13 0.00 -0.30 -0.04 1.64 1.43 2vh4A1 LEU 86 HD13 0.33 -0.01 -0.04 -0.04 0.93 1.17 2vh4A1 LEU 86 HD23 0.13 0.02 -0.08 -0.04 0.89 0.92 2vh4A1 SER 87 H 0.03 0.17 -0.24 -0.55 8.46 7.88 2vh4A1 SER 87 HA 0.14 0.08 0.28 -0.75 4.49 4.23 2vh4A1 SER 87 HB2 0.07 0.02 -0.02 -0.04 3.95 3.97 2vh4A1 SER 87 HB3 0.26 0.09 0.05 -0.04 3.93 4.29 2vh4A1 ALA 88 H 0.12 0.47 -0.13 -0.55 8.40 8.31 2vh4A1 ALA 88 HA 0.14 0.00 0.44 -0.75 4.34 4.17 2vh4A1 ALA 88 HB3 0.02 0.02 0.01 -0.04 1.41 1.41 2vh4A1 MET 89 H 0.19 0.66 -0.18 -0.55 8.47 8.60 2vh4A1 MET 89 HA -0.16 -0.01 0.38 -0.75 4.52 3.99 2vh4A1 MET 89 HB2 -0.04 0.04 0.10 -0.04 2.15 2.20 2vh4A1 MET 89 HB3 0.10 0.15 0.23 -0.04 2.03 2.48 2vh4A1 MET 89 HG2 0.03 -0.02 -0.05 -0.04 2.63 2.55 2vh4A1 MET 89 HG3 0.07 -0.02 -0.37 -0.04 2.56 2.20 2vh4A1 MET 89 HE3 -0.40 0.05 0.01 -0.04 2.10 1.71 2vh4A1 LEU 90 H 0.14 0.59 -0.19 -0.55 8.37 8.36 2vh4A1 LEU 90 HA 0.22 0.01 0.27 -0.75 4.35 4.10 2vh4A1 LEU 90 HB2 0.18 0.07 0.11 -0.04 1.64 1.96 2vh4A1 LEU 90 HB3 0.25 -0.01 -0.03 -0.04 1.64 1.81 2vh4A1 LEU 90 HG 0.21 0.06 0.02 -0.04 1.64 1.89 2vh4A1 LEU 90 HD13 0.19 -0.00 -0.10 -0.04 0.93 0.98 2vh4A1 LEU 90 HD23 0.31 -0.00 -0.06 -0.04 0.89 1.09 2vh4A1 ALA 91 H 0.13 0.53 -0.10 -0.55 8.40 8.41 2vh4A1 ALA 91 HA 0.07 0.01 0.31 -0.75 4.34 3.98 2vh4A1 ALA 91 HB3 0.13 0.01 0.06 -0.04 1.41 1.57 2vh4A1 LEU 92 H 0.07 0.64 -0.28 -0.55 8.37 8.26 2vh4A1 LEU 92 HA 0.05 -0.02 0.53 -0.75 4.35 4.15 2vh4A1 LEU 92 HB2 0.03 0.19 0.07 -0.04 1.64 1.88 2vh4A1 LEU 92 HB3 0.04 -0.08 -0.03 -0.04 1.64 1.53 2vh4A1 LEU 92 HG 0.11 0.01 -0.04 -0.04 1.64 1.68 2vh4A1 LEU 92 HD13 0.19 -0.00 -0.14 -0.04 0.93 0.93 2vh4A1 LEU 92 HD23 0.10 -0.03 -0.07 -0.04 0.89 0.85 2vh4A1 ALA 93 H 0.03 0.72 -0.07 -0.55 8.40 8.53 2vh4A1 ALA 93 HA 0.03 -0.03 0.45 -0.75 4.34 4.04 2vh4A1 ALA 93 HB3 0.16 0.02 -0.00 -0.04 1.41 1.55 2vh4A1 MET 94 H -0.16 0.62 -0.18 -0.55 8.47 8.20 2vh4A1 MET 94 HA -0.43 0.03 0.38 -0.75 4.52 3.75 2vh4A1 MET 94 HB2 -0.10 0.15 0.08 -0.04 2.15 2.25 2vh4A1 MET 94 HB3 -0.10 -0.07 -0.08 -0.04 2.03 1.74 2vh4A1 MET 94 HG2 -1.12 -0.05 -0.02 -0.04 2.63 1.39 2vh4A1 MET 94 HG3 -0.47 0.22 -0.01 -0.04 2.56 2.26 2vh4A1 MET 94 HE3 0.06 0.01 -0.14 -0.04 2.10 1.99 2vh4A1 THR 95 H 0.02 0.31 -0.40 -0.55 8.28 7.66 2vh4A1 THR 95 HA 0.08 0.03 0.27 -0.75 4.39 4.02 2vh4A1 THR 95 HB 0.04 0.09 0.07 -0.04 4.32 4.48 2vh4A1 THR 95 HG23 -0.14 -0.04 -0.13 -0.04 1.22 0.88 2vh4A1 ALA 96 H 0.07 0.64 -0.16 -0.55 8.40 8.40 2vh4A1 ALA 96 HA 0.11 -0.06 0.39 -0.75 4.34 4.03 2vh4A1 ALA 96 HB3 0.05 0.04 0.04 -0.04 1.41 1.50 2vh4A1 ASN 97 H 0.15 0.41 -0.57 -0.55 8.53 7.98 2vh4A1 ASN 97 HA 0.14 -0.01 0.40 -0.75 4.76 4.53 2vh4A1 ASN 97 HB2 0.32 0.30 0.04 -0.04 2.88 3.50 2vh4A1 ASN 97 HB3 0.30 -0.07 0.02 -0.04 2.79 3.01 2vh4A1 ASN 97 HD21 0.20 -0.08 -0.11 -0.04 7.03 7.00 2vh4A1 ASN 97 HD22 0.02 0.11 0.04 -0.04 7.74 7.87 2vh4A1 GLY 98 H 0.13 0.53 -0.47 -0.55 8.43 8.08 2vh4A1 GLY 98 HA2 -0.12 0.11 0.46 -0.51 4.01 3.96 2vh4A1 GLY 98 HA3 -0.31 -0.01 0.17 -0.51 4.01 3.34 2vh4A1 ALA 99 H 0.07 0.42 -0.22 -0.55 8.40 8.13 2vh4A1 ALA 99 HA -0.27 0.21 0.81 -0.75 4.34 4.34 2vh4A1 ALA 99 HB3 -0.18 -0.01 -0.04 -0.04 1.41 1.13 2vh4A1 ASP 100 H -0.20 0.48 0.34 -0.55 8.40 8.47 2vh4A1 ASP 100 HA -0.05 0.21 0.71 -0.75 4.63 4.74 2vh4A1 ASP 100 HB2 -0.05 0.04 -0.21 -0.04 2.71 2.45 2vh4A1 ASP 100 HB3 -0.06 -0.04 -0.01 -0.04 2.70 2.55 2vh4A1 ASN 101 H -0.04 0.21 0.15 -0.55 8.53 8.31 2vh4A1 ASN 101 HA -0.03 0.11 0.39 -0.75 4.76 4.47 2vh4A1 ASN 101 HB2 -0.06 0.09 0.04 -0.04 2.88 2.90 2vh4A1 ASN 101 HB3 -0.04 0.05 0.22 -0.04 2.79 2.98 2vh4A1 ASN 101 HD21 -0.03 0.07 -0.03 -0.04 7.03 7.00 2vh4A1 ASN 101 HD22 -0.05 0.02 -0.14 -0.04 7.74 7.53 2vh4A1 GLU 102 H -0.06 0.22 0.28 -0.55 8.60 8.50 2vh4A1 GLU 102 HA -0.04 0.09 0.46 -0.75 4.29 4.05 2vh4A1 GLU 102 HB2 -0.03 0.04 0.16 -0.04 2.09 2.21 2vh4A1 GLU 102 HB3 -0.05 0.06 0.14 -0.04 1.99 2.09 2vh4A1 GLU 102 HG2 -0.02 0.06 0.03 -0.04 2.34 2.37 2vh4A1 GLU 102 HG3 -0.03 -0.05 -0.01 -0.04 2.34 2.21 2vh4A1 THR 103 H -0.12 0.25 0.09 -0.55 8.28 7.94 2vh4A1 THR 103 HA -0.14 -0.01 0.51 -0.75 4.39 4.00 2vh4A1 THR 103 HB -0.35 0.21 0.27 -0.04 4.32 4.41 2vh4A1 THR 103 HG23 -0.70 0.00 -0.11 -0.04 1.22 0.37 2vh4A1 LEU 104 H -0.13 0.27 -0.54 -0.55 8.37 7.42 2vh4A1 LEU 104 HA -0.07 0.11 0.42 -0.75 4.35 4.05 2vh4A1 LEU 104 HB2 -0.07 0.07 -0.61 -0.04 1.64 1.00 2vh4A1 LEU 104 HB3 -0.05 0.01 -0.23 -0.04 1.64 1.33 2vh4A1 LEU 104 HG -0.01 -0.04 -0.30 -0.04 1.64 1.25 2vh4A1 LEU 104 HD13 0.01 0.04 -0.01 -0.04 0.93 0.93 2vh4A1 LEU 104 HD23 -0.01 0.03 -0.02 -0.04 0.89 0.86 2vh4A1 ALA 105 H -0.04 0.58 -0.10 -0.55 8.40 8.30 2vh4A1 ALA 105 HA -0.01 -0.00 0.28 -0.75 4.34 3.86 2vh4A1 ALA 105 HB3 -0.02 0.01 0.09 -0.04 1.41 1.45 2vh4A1 GLN 106 H -0.03 0.50 -0.21 -0.55 8.47 8.19 2vh4A1 GLN 106 HA 0.01 0.09 0.49 -0.75 4.36 4.19 2vh4A1 GLN 106 HB2 -0.02 0.04 0.22 -0.04 2.15 2.34 2vh4A1 GLN 106 HB3 0.02 -0.01 0.13 -0.04 2.02 2.11 2vh4A1 GLN 106 HG2 0.01 0.20 0.20 -0.04 2.40 2.77 2vh4A1 GLN 106 HG3 -0.01 -0.02 0.13 -0.04 2.39 2.45 2vh4A1 GLN 106 HE21 0.00 -0.06 0.04 -0.04 6.97 6.91 2vh4A1 GLN 106 HE22 -0.00 0.07 0.05 -0.04 7.69 7.77 2vh4A1 MET 107 H -0.02 0.35 -0.27 -0.55 8.47 7.98 2vh4A1 MET 107 HA 0.03 0.05 0.45 -0.75 4.52 4.30 2vh4A1 MET 107 HB2 -0.01 0.08 0.19 -0.04 2.15 2.37 2vh4A1 MET 107 HB3 0.02 -0.02 -0.01 -0.04 2.03 1.99 2vh4A1 MET 107 HG2 0.02 -0.04 -0.03 -0.04 2.63 2.54 2vh4A1 MET 107 HG3 -0.04 0.18 0.08 -0.04 2.56 2.75 2vh4A1 MET 107 HE3 0.08 0.01 -0.06 -0.04 2.10 2.09 2vh4A1 GLU 108 H -0.00 0.67 0.01 -0.55 8.60 8.73 2vh4A1 GLU 108 HA 0.00 -0.00 0.41 -0.75 4.29 3.95 2vh4A1 GLU 108 HB2 0.00 0.10 0.08 -0.04 2.09 2.23 2vh4A1 GLU 108 HB3 0.01 0.09 -0.11 -0.04 1.99 1.95 2vh4A1 GLU 108 HG2 0.02 -0.08 0.01 -0.04 2.34 2.24 2vh4A1 GLU 108 HG3 0.01 0.15 -0.02 -0.04 2.34 2.44 2vh4A1 LYS 109 H 0.01 0.47 -0.20 -0.55 8.42 8.14 2vh4A1 LYS 109 HA 0.02 0.22 0.48 -0.75 4.32 4.28 2vh4A1 LYS 109 HB2 0.01 -0.03 0.12 -0.04 1.87 1.93 2vh4A1 LYS 109 HB3 0.02 0.09 0.17 -0.04 1.79 2.02 2vh4A1 LYS 109 HG2 0.02 -0.02 -0.01 -0.04 1.46 1.41 2vh4A1 LYS 109 HG3 0.03 0.05 -0.21 -0.04 1.46 1.28 2vh4A1 LYS 109 HD2 0.02 -0.04 0.05 -0.04 1.69 1.67 2vh4A1 LYS 109 HD3 0.01 -0.00 0.04 -0.04 1.68 1.69 2vh4A1 LYS 109 HE2 0.01 -0.05 -0.01 -0.04 2.99 2.90 2vh4A1 LYS 109 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.93 2vh4A1 ALA 110 H 0.03 0.38 -0.26 -0.55 8.40 8.02 2vh4A1 ALA 110 HA 0.09 0.14 0.41 -0.75 4.34 4.23 2vh4A1 ALA 110 HB3 0.10 -0.01 0.00 -0.04 1.41 1.46 2vh4A1 LEU 111 H -0.01 0.35 -0.31 -0.55 8.37 7.85 2vh4A1 LEU 111 HA -0.40 0.10 0.59 -0.75 4.35 3.89 2vh4A1 LEU 111 HB2 -0.10 0.05 0.08 -0.04 1.64 1.63 2vh4A1 LEU 111 HB3 -0.28 -0.07 -0.07 -0.04 1.64 1.18 2vh4A1 LEU 111 HG -0.07 0.02 -0.07 -0.04 1.64 1.48 2vh4A1 LEU 111 HD13 -0.04 -0.02 -0.24 -0.04 0.93 0.59 2vh4A1 LEU 111 HD23 -0.46 -0.01 -0.08 -0.04 0.89 0.31 2vh4A1 GLY 112 H -0.03 0.71 0.03 -0.55 8.43 8.59 2vh4A1 GLY 112 HA2 -0.07 0.14 0.68 -0.51 4.01 4.26 2vh4A1 GLY 112 HA3 -0.01 -0.03 0.22 -0.51 4.01 3.68 2vh4A1 LYS 113 H 0.01 0.41 -0.15 -0.55 8.42 8.14 2vh4A1 LYS 113 HA 0.02 0.21 0.44 -0.75 4.32 4.23 2vh4A1 LYS 113 HB2 0.00 0.04 -0.22 -0.04 1.87 1.65 2vh4A1 LYS 113 HB3 0.01 -0.08 0.21 -0.04 1.79 1.90 2vh4A1 LYS 113 HG2 0.02 0.05 0.05 -0.04 1.46 1.54 2vh4A1 LYS 113 HG3 0.02 0.06 -0.03 -0.04 1.46 1.48 2vh4A1 LYS 113 HD2 0.01 -0.05 0.01 -0.04 1.69 1.62 2vh4A1 LYS 113 HD3 0.01 -0.03 0.00 -0.04 1.68 1.62 2vh4A1 LYS 113 HE2 0.01 0.03 0.00 -0.04 2.99 2.99 2vh4A1 LYS 113 HE3 0.02 0.02 0.01 -0.04 2.99 3.00 2vh4A1 ASP 114 H 0.02 0.30 0.38 -0.55 8.40 8.54 2vh4A1 ASP 114 HA 0.02 0.17 0.69 -0.75 4.63 4.76 2vh4A1 ASP 114 HB2 0.02 -0.04 0.10 -0.04 2.71 2.76 2vh4A1 ASP 114 HB3 0.02 0.01 -0.04 -0.04 2.70 2.64 2vh4A1 ILE 115 H 0.03 0.60 -0.12 -0.55 8.25 8.21 2vh4A1 ILE 115 HA 0.09 0.00 0.66 -0.75 4.18 4.18 2vh4A1 ILE 115 HB 0.06 0.03 0.09 -0.04 1.89 2.02 2vh4A1 ILE 115 HG12 0.19 -0.06 -0.05 -0.04 1.49 1.52 2vh4A1 ILE 115 HG13 0.06 -0.02 0.01 -0.04 1.21 1.21 2vh4A1 ILE 115 HG23 0.22 0.04 -0.19 -0.04 0.93 0.96 2vh4A1 ILE 115 HD13 -0.04 0.01 -0.06 -0.04 0.88 0.75 2vh4A1 SER 116 H 0.06 0.09 0.13 -0.55 8.46 8.19 2vh4A1 SER 116 HA 0.03 0.18 0.50 -0.75 4.49 4.45 2vh4A1 SER 116 HB2 0.02 0.01 0.11 -0.04 3.95 4.05 2vh4A1 SER 116 HB3 0.02 0.15 0.10 -0.04 3.93 4.16 2vh4A1 ILE 117 H 0.02 0.20 0.10 -0.55 8.25 8.02 2vh4A1 ILE 117 HA 0.04 0.14 0.37 -0.75 4.18 3.97 2vh4A1 ILE 117 HB 0.03 0.04 0.04 -0.04 1.89 1.96 2vh4A1 ILE 117 HG12 0.06 0.05 -0.24 -0.04 1.49 1.33 2vh4A1 ILE 117 HG13 0.06 -0.00 -0.13 -0.04 1.21 1.10 2vh4A1 ILE 117 HG23 0.03 0.02 -0.06 -0.04 0.93 0.87 2vh4A1 ILE 117 HD13 0.07 0.04 -0.01 -0.04 0.88 0.94 2vh4A1 GLU 118 H 0.00 0.06 -0.22 -0.55 8.60 7.89 2vh4A1 GLU 118 HA -0.08 0.15 0.42 -0.75 4.29 4.03 2vh4A1 GLU 118 HB2 -0.02 -0.07 0.04 -0.04 2.09 2.00 2vh4A1 GLU 118 HB3 -0.03 0.08 -0.04 -0.04 1.99 1.96 2vh4A1 GLU 118 HG2 0.01 0.06 0.01 -0.04 2.34 2.37 2vh4A1 GLU 118 HG3 0.01 0.06 0.00 -0.04 2.34 2.38 2vh4A1 ASP 119 H -0.01 0.07 -0.20 -0.55 8.40 7.71 2vh4A1 ASP 119 HA -0.15 0.11 0.52 -0.75 4.63 4.36 2vh4A1 ASP 119 HB2 0.06 -0.02 0.11 -0.04 2.71 2.82 2vh4A1 ASP 119 HB3 0.00 0.02 0.01 -0.04 2.70 2.70 2vh4A1 LEU 120 H 0.05 0.42 -0.33 -0.55 8.37 7.96 2vh4A1 LEU 120 HA 0.29 0.02 0.47 -0.75 4.35 4.37 2vh4A1 LEU 120 HB2 0.10 0.05 -0.09 -0.04 1.64 1.65 2vh4A1 LEU 120 HB3 0.07 0.08 0.03 -0.04 1.64 1.79 2vh4A1 LEU 120 HG 0.14 -0.01 -0.15 -0.04 1.64 1.59 2vh4A1 LEU 120 HD13 0.14 -0.01 -0.07 -0.04 0.93 0.94 2vh4A1 LEU 120 HD23 0.02 0.01 -0.12 -0.04 0.89 0.76 2vh4A1 ASN 121 H -0.10 0.55 -0.17 -0.55 8.53 8.27 2vh4A1 ASN 121 HA -0.19 0.04 0.40 -0.75 4.76 4.26 2vh4A1 ASN 121 HB2 -0.62 0.16 0.20 -0.04 2.88 2.57 2vh4A1 ASN 121 HB3 -1.71 -0.00 -0.03 -0.04 2.79 1.01 2vh4A1 ASN 121 HD21 0.08 -0.03 -0.09 -0.04 7.03 6.95 2vh4A1 ASN 121 HD22 -0.12 -0.04 -0.01 -0.04 7.74 7.53 2vh4A1 LYS 122 H -0.34 0.34 -0.20 -0.55 8.42 7.66 2vh4A1 LYS 122 HA -0.01 0.12 0.43 -0.75 4.32 4.10 2vh4A1 LYS 122 HB2 -0.25 0.02 0.13 -0.04 1.87 1.73 2vh4A1 LYS 122 HB3 -0.11 -0.04 -0.07 -0.04 1.79 1.53 2vh4A1 LYS 122 HG2 0.07 0.09 0.00 -0.04 1.46 1.58 2vh4A1 LYS 122 HG3 -0.22 0.08 0.07 -0.04 1.46 1.35 2vh4A1 LYS 122 HD2 -0.14 -0.08 -0.03 -0.04 1.69 1.40 2vh4A1 LYS 122 HD3 -0.07 0.01 -0.07 -0.04 1.68 1.50 2vh4A1 LYS 122 HE2 0.03 0.00 -0.03 -0.04 2.99 2.95 2vh4A1 LYS 122 HE3 -0.03 0.03 -0.07 -0.04 2.99 2.88 2vh4A1 TYR 123 H -0.06 0.51 -0.15 -0.55 8.29 8.04 2vh4A1 TYR 123 HA -0.21 0.09 0.39 -0.75 4.56 4.08 2vh4A1 TYR 123 HB2 -0.03 0.09 0.22 -0.04 3.06 3.30 2vh4A1 TYR 123 HB3 -0.56 -0.04 -0.05 -0.04 2.98 2.28 2vh4A1 TYR 123 HD2 -0.12 0.04 -0.13 -0.04 7.15 6.90 2vh4A1 TYR 123 HE2 0.04 0.05 -0.04 -0.04 6.85 6.85 2vh4A1 LEU 124 H 0.05 0.62 -0.16 -0.55 8.37 8.33 2vh4A1 LEU 124 HA 0.11 -0.02 0.47 -0.75 4.35 4.16 2vh4A1 LEU 124 HB2 0.00 0.12 0.08 -0.04 1.64 1.81 2vh4A1 LEU 124 HB3 0.13 -0.01 -0.03 -0.04 1.64 1.69 2vh4A1 LEU 124 HG 0.24 0.05 0.01 -0.04 1.64 1.89 2vh4A1 LEU 124 HD13 0.24 -0.02 -0.14 -0.04 0.93 0.97 2vh4A1 LEU 124 HD23 0.32 -0.02 -0.07 -0.04 0.89 1.08 2vh4A1 TYR 125 H 0.04 0.50 -0.08 -0.55 8.29 8.21 2vh4A1 TYR 125 HA -0.06 0.16 0.58 -0.75 4.56 4.48 2vh4A1 TYR 125 HB2 0.07 0.11 0.27 -0.04 3.06 3.46 2vh4A1 TYR 125 HB3 0.07 0.04 0.25 -0.04 2.98 3.29 2vh4A1 TYR 125 HD2 -0.00 0.05 -0.03 -0.04 7.15 7.13 2vh4A1 TYR 125 HE2 -0.03 -0.03 -0.09 -0.04 6.85 6.66 2vh4A1 THR 126 H 0.14 0.58 -0.05 -0.55 8.28 8.40 2vh4A1 THR 126 HA -0.14 0.00 0.41 -0.75 4.39 3.91 2vh4A1 THR 126 HB 0.00 0.15 0.13 -0.04 4.32 4.56 2vh4A1 THR 126 HG23 0.02 -0.03 -0.11 -0.04 1.22 1.05 2vh4A1 TYR 127 H 0.04 0.52 -0.17 -0.55 8.29 8.13 2vh4A1 TYR 127 HA -0.07 -0.04 0.37 -0.75 4.56 4.07 2vh4A1 TYR 127 HB2 -0.32 0.04 0.12 -0.04 3.06 2.85 2vh4A1 TYR 127 HB3 -0.03 0.07 0.14 -0.04 2.98 3.12 2vh4A1 TYR 127 HD2 0.10 0.01 -0.04 -0.04 7.15 7.17 2vh4A1 TYR 127 HE2 0.14 -0.04 -0.07 -0.04 6.85 6.84 2vh4A1 MET 128 H 0.00 0.71 -0.07 -0.55 8.47 8.56 2vh4A1 MET 128 HA -0.12 -0.02 0.52 -0.75 4.52 4.15 2vh4A1 MET 128 HB2 -0.07 0.17 0.19 -0.04 2.15 2.40 2vh4A1 MET 128 HB3 -0.04 -0.02 0.00 -0.04 2.03 1.94 2vh4A1 MET 128 HG2 0.06 -0.09 0.01 -0.04 2.63 2.56 2vh4A1 MET 128 HG3 0.10 0.04 0.05 -0.04 2.56 2.71 2vh4A1 MET 128 HE3 0.03 0.01 -0.12 -0.04 2.10 1.98 2vh4A1 LYS 129 H -0.22 0.45 -0.21 -0.55 8.42 7.88 2vh4A1 LYS 129 HA -0.17 0.02 0.39 -0.75 4.32 3.80 2vh4A1 LYS 129 HB2 -0.52 0.14 0.12 -0.04 1.87 1.57 2vh4A1 LYS 129 HB3 -0.21 0.03 0.12 -0.04 1.79 1.69 2vh4A1 LYS 129 HG2 -0.13 -0.01 0.01 -0.04 1.46 1.29 2vh4A1 LYS 129 HG3 -0.25 -0.01 0.03 -0.04 1.46 1.19 2vh4A1 LYS 129 HD2 -0.21 -0.03 -0.03 -0.04 1.69 1.39 2vh4A1 LYS 129 HD3 -0.09 -0.03 -0.04 -0.04 1.68 1.47 2vh4A1 LYS 129 HE2 -0.00 -0.07 -0.01 -0.04 2.99 2.87 2vh4A1 LYS 129 HE3 -0.04 0.01 -0.00 -0.04 2.99 2.91 2vh4A1 LYS 130 H -0.12 0.32 -0.22 -0.55 8.42 7.85 2vh4A1 LYS 130 HA -0.07 0.13 0.51 -0.75 4.32 4.14 2vh4A1 LYS 130 HB2 -0.04 0.05 0.06 -0.04 1.87 1.91 2vh4A1 LYS 130 HB3 -0.03 -0.08 0.08 -0.04 1.79 1.72 2vh4A1 LYS 130 HG2 -0.03 -0.01 -0.04 -0.04 1.46 1.33 2vh4A1 LYS 130 HG3 -0.06 0.02 -0.06 -0.04 1.46 1.33 2vh4A1 LYS 130 HD2 0.01 -0.01 -0.02 -0.04 1.69 1.63 2vh4A1 LYS 130 HD3 0.01 -0.03 0.00 -0.04 1.68 1.62 2vh4A1 LYS 130 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.94 2vh4A1 LYS 130 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 2vh4A1 LEU 131 H -0.17 0.30 -0.17 -0.55 8.37 7.78 2vh4A1 LEU 131 HA -0.11 -0.05 0.58 -0.75 4.35 4.02 2vh4A1 LEU 131 HB2 -0.16 0.13 0.15 -0.04 1.64 1.72 2vh4A1 LEU 131 HB3 0.01 0.02 -0.03 -0.04 1.64 1.60 2vh4A1 LEU 131 HG -0.74 0.14 0.09 -0.04 1.64 1.09 2vh4A1 LEU 131 HD13 -0.40 -0.04 -0.06 -0.04 0.93 0.39 2vh4A1 LEU 131 HD23 -0.04 -0.04 0.03 -0.04 0.89 0.80 2vh4A1 PRO 132 HA -0.16 0.06 0.35 -0.51 4.44 4.17 2vh4A1 PRO 132 HB2 -0.59 -0.03 0.01 -0.04 2.28 1.63 2vh4A1 PRO 132 HB3 -0.94 -0.01 0.09 -0.04 2.02 1.12 2vh4A1 PRO 132 HG2 -0.34 -0.05 0.13 -0.04 2.03 1.73 2vh4A1 PRO 132 HG3 -0.25 0.10 0.15 -0.04 2.03 1.98 2vh4A1 PRO 132 HD2 -0.18 0.00 0.21 -0.04 3.68 3.67 2vh4A1 PRO 132 HD3 -0.12 0.13 0.35 -0.04 3.65 3.97 2vh4A1 ASN 133 H -0.09 0.14 0.11 -0.55 8.53 8.15 2vh4A1 ASN 133 HA 0.03 0.15 0.89 -0.75 4.76 5.07 2vh4A1 ASN 133 HB2 0.00 0.33 0.02 -0.04 2.88 3.20 2vh4A1 ASN 133 HB3 -0.02 -0.01 0.16 -0.04 2.79 2.87 2vh4A1 ASN 133 HD21 -0.02 -0.10 -0.05 -0.04 7.03 6.82 2vh4A1 ASN 133 HD22 -0.02 0.04 0.05 -0.04 7.74 7.77 2vh4A1 GLU 134 H 0.01 0.55 0.06 -0.55 8.60 8.68 2vh4A1 GLU 134 HA -0.01 0.09 0.58 -0.75 4.29 4.20 2vh4A1 GLU 134 HB2 0.03 -0.10 0.14 -0.04 2.09 2.12 2vh4A1 GLU 134 HB3 0.01 0.12 -0.09 -0.04 1.99 1.99 2vh4A1 GLU 134 HG2 0.08 -0.02 -0.18 -0.04 2.34 2.18 2vh4A1 GLU 134 HG3 0.09 0.13 -0.24 -0.04 2.34 2.28 2vh4A1 GLU 135 H 0.00 0.13 0.12 -0.55 8.60 8.31 2vh4A1 GLU 135 HA -0.03 0.01 0.44 -0.75 4.29 3.96 2vh4A1 GLU 135 HB2 -0.00 0.02 0.16 -0.04 2.09 2.23 2vh4A1 GLU 135 HB3 0.01 0.03 0.05 -0.04 1.99 2.04 2vh4A1 GLU 135 HG2 -0.01 0.02 0.02 -0.04 2.34 2.33 2vh4A1 GLU 135 HG3 -0.01 0.00 -0.02 -0.04 2.34 2.27 2vh4A1 LYS 136 H -0.05 0.13 0.19 -0.55 8.42 8.14 2vh4A1 LYS 136 HA -0.07 -0.02 0.39 -0.75 4.32 3.87 2vh4A1 LYS 136 HB2 0.02 0.26 0.07 -0.04 1.87 2.18 2vh4A1 LYS 136 HB3 0.01 -0.06 0.21 -0.04 1.79 1.91 2vh4A1 LYS 136 HG2 -0.02 -0.02 0.01 -0.04 1.46 1.40 2vh4A1 LYS 136 HG3 -0.00 -0.05 -0.30 -0.04 1.46 1.07 2vh4A1 LYS 136 HD2 0.02 0.02 -0.03 -0.04 1.69 1.66 2vh4A1 LYS 136 HD3 0.02 0.02 0.03 -0.04 1.68 1.71 2vh4A1 LYS 136 HE2 0.00 -0.03 -0.02 -0.04 2.99 2.91 2vh4A1 LYS 136 HE3 0.01 0.00 -0.03 -0.04 2.99 2.93 2vh4A1 SER 137 H -0.04 0.44 -0.49 -0.55 8.46 7.82 2vh4A1 SER 137 HA -0.13 0.03 0.71 -0.75 4.49 4.34 2vh4A1 SER 137 HB2 0.17 0.20 -0.12 -0.04 3.95 4.16 2vh4A1 SER 137 HB3 0.16 0.01 -0.13 -0.04 3.93 3.93 2vh4A1 LYS 138 H -0.30 0.75 0.25 -0.55 8.42 8.56 2vh4A1 LYS 138 HA -0.07 0.01 0.64 -0.75 4.32 4.14 2vh4A1 LYS 138 HB2 -0.21 -0.04 0.21 -0.04 1.87 1.79 2vh4A1 LYS 138 HB3 -0.11 0.03 -0.03 -0.04 1.79 1.64 2vh4A1 LYS 138 HG2 -0.07 0.01 -0.15 -0.04 1.46 1.21 2vh4A1 LYS 138 HG3 -0.12 -0.09 0.07 -0.04 1.46 1.28 2vh4A1 LYS 138 HD2 -0.11 -0.00 -0.01 -0.04 1.69 1.52 2vh4A1 LYS 138 HD3 -0.08 0.04 -0.07 -0.04 1.68 1.54 2vh4A1 LYS 138 HE2 -0.05 0.01 -0.08 -0.04 2.99 2.83 2vh4A1 LYS 138 HE3 -0.07 -0.14 -0.01 -0.04 2.99 2.73 2vh4A1 LEU 139 H -0.03 0.25 0.29 -0.55 8.37 8.33 2vh4A1 LEU 139 HA -0.00 0.32 0.77 -0.75 4.35 4.68 2vh4A1 LEU 139 HB2 -0.11 -0.05 -0.03 -0.04 1.64 1.41 2vh4A1 LEU 139 HB3 0.07 0.19 0.12 -0.04 1.64 1.97 2vh4A1 LEU 139 HG 0.05 0.05 -0.18 -0.04 1.64 1.52 2vh4A1 LEU 139 HD13 0.13 -0.01 -0.05 -0.04 0.93 0.96 2vh4A1 LEU 139 HD23 0.08 -0.02 -0.09 -0.04 0.89 0.83 2vh4A1 THR 140 H 0.02 0.49 0.32 -0.55 8.28 8.56 2vh4A1 THR 140 HA 0.00 0.25 0.97 -0.75 4.39 4.86 2vh4A1 THR 140 HB -0.02 0.04 -0.01 -0.04 4.32 4.29 2vh4A1 THR 140 HG23 -0.03 -0.01 -0.09 -0.04 1.22 1.05 2vh4A1 ILE 141 H 0.02 0.30 0.21 -0.55 8.25 8.24 2vh4A1 ILE 141 HA 0.07 0.30 1.11 -0.75 4.18 4.90 2vh4A1 ILE 141 HB 0.06 0.04 0.09 -0.04 1.89 2.03 2vh4A1 ILE 141 HG12 0.07 0.03 -0.12 -0.04 1.49 1.43 2vh4A1 ILE 141 HG13 0.03 -0.04 -0.45 -0.04 1.21 0.71 2vh4A1 ILE 141 HG23 0.13 -0.00 -0.06 -0.04 0.93 0.96 2vh4A1 ILE 141 HD13 0.04 -0.01 -0.08 -0.04 0.88 0.79 2vh4A1 ALA 142 H 0.13 0.62 0.39 -0.55 8.40 8.99 2vh4A1 ALA 142 HA 0.19 0.22 0.93 -0.75 4.34 4.92 2vh4A1 ALA 142 HB3 -0.00 -0.01 -0.01 -0.04 1.41 1.35 2vh4A1 ASN 143 H 0.35 0.32 0.23 -0.55 8.53 8.89 2vh4A1 ASN 143 HA 0.37 0.29 1.14 -0.75 4.76 5.81 2vh4A1 ASN 143 HB2 0.22 0.18 -0.00 -0.04 2.88 3.24 2vh4A1 ASN 143 HB3 0.16 -0.06 0.00 -0.04 2.79 2.85 2vh4A1 ASN 143 HD21 0.30 -0.07 -0.09 -0.04 7.03 7.12 2vh4A1 ASN 143 HD22 0.28 0.61 0.06 -0.04 7.74 8.65 2vh4A1 SER 144 H 0.04 0.62 0.41 -0.55 8.46 8.99 2vh4A1 SER 144 HA -0.17 0.20 0.72 -0.75 4.49 4.49 2vh4A1 SER 144 HB2 -0.67 0.08 0.10 -0.04 3.95 3.42 2vh4A1 SER 144 HB3 -1.10 0.01 -0.11 -0.04 3.93 2.69 2vh4A1 ILE 145 H -0.24 0.71 0.34 -0.55 8.25 8.52 2vh4A1 ILE 145 HA 0.17 0.24 1.00 -0.75 4.18 4.85 2vh4A1 ILE 145 HB 0.04 -0.05 0.12 -0.04 1.89 1.96 2vh4A1 ILE 145 HG12 -0.03 -0.04 -0.26 -0.04 1.49 1.11 2vh4A1 ILE 145 HG13 -0.05 0.00 -0.09 -0.04 1.21 1.03 2vh4A1 ILE 145 HG23 0.29 -0.01 -0.15 -0.04 0.93 1.02 2vh4A1 ILE 145 HD13 0.09 0.02 -0.04 -0.04 0.88 0.92 2vh4A1 TRP 146 H 0.52 0.61 0.32 -0.55 7.97 8.88 2vh4A1 TRP 146 HA 0.21 0.32 1.00 -0.75 4.62 5.39 2vh4A1 TRP 146 HB2 0.18 -0.11 0.13 -0.04 3.23 3.38 2vh4A1 TRP 146 HB3 0.12 -0.04 -0.01 -0.04 3.23 3.25 2vh4A1 TRP 146 HD1 -0.08 0.13 -0.23 -0.04 7.22 7.00 2vh4A1 TRP 146 HE1 -0.70 0.03 -0.15 -0.04 10.20 9.34 2vh4A1 TRP 146 HE3 -0.12 -0.05 -0.10 -0.04 7.59 7.28 2vh4A1 TRP 146 HZ2 -0.57 0.04 -0.09 -0.04 7.44 6.78 2vh4A1 TRP 146 HZ3 -0.43 -0.06 -0.10 -0.04 7.13 6.50 2vh4A1 TRP 146 HH2 -0.56 0.09 -0.24 -0.04 7.19 6.44 2vh4A1 PHE 147 H 0.08 0.61 0.35 -0.55 8.34 8.82 2vh4A1 PHE 147 HA 0.15 0.28 1.01 -0.75 4.62 5.32 2vh4A1 PHE 147 HB2 0.23 0.08 0.12 -0.04 3.15 3.54 2vh4A1 PHE 147 HB3 0.20 -0.05 -0.12 -0.04 3.06 3.05 2vh4A1 PHE 147 HD2 0.15 0.13 -0.25 -0.04 7.28 7.27 2vh4A1 PHE 147 HE2 0.03 0.02 -0.14 -0.04 7.38 7.24 2vh4A1 PHE 147 HZ 0.03 -0.02 -0.06 -0.04 7.32 7.22 2vh4A1 LYS 148 H -0.27 0.58 0.28 -0.55 8.42 8.45 2vh4A1 LYS 148 HA -0.42 0.14 0.53 -0.75 4.32 3.81 2vh4A1 LYS 148 HB2 -0.88 0.08 0.18 -0.04 1.87 1.21 2vh4A1 LYS 148 HB3 -0.15 -0.08 0.14 -0.04 1.79 1.66 2vh4A1 LYS 148 HG2 -0.09 -0.37 0.06 -0.04 1.46 1.02 2vh4A1 LYS 148 HG3 -0.25 0.07 -0.04 -0.04 1.46 1.20 2vh4A1 LYS 148 HD2 -0.24 0.34 0.09 -0.04 1.69 1.84 2vh4A1 LYS 148 HD3 -0.10 -0.14 0.06 -0.04 1.68 1.45 2vh4A1 LYS 148 HE2 0.00 -0.15 0.09 -0.04 2.99 2.89 2vh4A1 LYS 148 HE3 0.05 0.10 0.08 -0.04 2.99 3.18 2vh4A1 GLU 149 H -0.02 0.56 0.36 -0.55 8.60 8.96 2vh4A1 GLU 149 HA 0.10 0.14 0.54 -0.75 4.29 4.31 2vh4A1 GLU 149 HB2 0.03 0.01 0.08 -0.04 2.09 2.17 2vh4A1 GLU 149 HB3 -0.00 -0.05 -0.02 -0.04 1.99 1.88 2vh4A1 GLU 149 HG2 0.03 0.02 0.11 -0.04 2.34 2.46 2vh4A1 GLU 149 HG3 0.03 0.02 -0.15 -0.04 2.34 2.20 2vh4A1 ASN 150 H 0.01 -0.04 -0.28 -0.55 8.53 7.68 2vh4A1 ASN 150 HA 0.03 0.20 0.54 -0.75 4.76 4.78 2vh4A1 ASN 150 HB2 0.01 -0.08 0.20 -0.04 2.88 2.96 2vh4A1 ASN 150 HB3 0.02 0.04 0.04 -0.04 2.79 2.85 2vh4A1 ASN 150 HD21 0.04 -0.02 0.07 -0.04 7.03 7.08 2vh4A1 ASN 150 HD22 0.02 0.06 0.10 -0.04 7.74 7.88 2vh4A1 ASP 151 H 0.02 0.10 0.09 -0.55 8.40 8.06 2vh4A1 ASP 151 HA 0.03 0.15 0.27 -0.75 4.63 4.33 2vh4A1 ASP 151 HB2 0.02 0.05 0.08 -0.04 2.71 2.81 2vh4A1 ASP 151 HB3 0.04 -0.10 0.11 -0.04 2.70 2.71 2vh4A1 PHE 152 H 0.13 0.20 -0.58 -0.55 8.34 7.53 2vh4A1 PHE 152 HA -0.04 0.23 1.02 -0.75 4.62 5.09 2vh4A1 PHE 152 HB2 -0.07 -0.09 -0.16 -0.04 3.15 2.79 2vh4A1 PHE 152 HB3 -0.04 0.05 0.05 -0.04 3.06 3.08 2vh4A1 PHE 152 HD2 -0.01 0.01 -0.19 -0.04 7.28 7.04 2vh4A1 PHE 152 HE2 -0.14 -0.01 -0.35 -0.04 7.38 6.85 2vh4A1 PHE 152 HZ -0.15 -0.01 -0.47 -0.04 7.32 6.64 2vh4A1 MET 153 H -0.54 0.60 0.20 -0.55 8.47 8.18 2vh4A1 MET 153 HA -0.33 0.25 0.89 -0.75 4.52 4.57 2vh4A1 MET 153 HB2 -0.16 0.03 -0.01 -0.04 2.15 1.97 2vh4A1 MET 153 HB3 -0.26 -0.11 0.19 -0.04 2.03 1.81 2vh4A1 MET 153 HG2 -0.12 -0.06 0.01 -0.04 2.63 2.41 2vh4A1 MET 153 HG3 -0.21 0.03 -0.11 -0.04 2.56 2.23 2vh4A1 MET 153 HE3 -0.04 0.00 0.01 -0.04 2.10 2.04 2vh4A1 PRO 154 HA -0.52 0.16 0.53 -0.51 4.44 4.10 2vh4A1 PRO 154 HB2 -0.29 0.04 -0.09 -0.04 2.28 1.90 2vh4A1 PRO 154 HB3 -0.32 0.01 0.01 -0.04 2.02 1.69 2vh4A1 PRO 154 HG2 -0.49 -0.02 -0.02 -0.04 2.03 1.45 2vh4A1 PRO 154 HG3 -1.88 0.03 -0.03 -0.04 2.03 0.10 2vh4A1 PRO 154 HD2 -0.31 0.10 0.19 -0.04 3.68 3.61 2vh4A1 PRO 154 HD3 -0.44 0.23 -0.05 -0.04 3.65 3.35 2vh4A1 SER 155 H -0.06 1.00 0.42 -0.55 8.46 9.27 2vh4A1 SER 155 HA -0.08 0.05 0.68 -0.75 4.49 4.39 2vh4A1 SER 155 HB2 -0.03 0.03 -0.07 -0.04 3.95 3.85 2vh4A1 SER 155 HB3 0.05 0.28 -0.14 -0.04 3.93 4.08 2vh4A1 LYS 156 H -0.05 0.21 0.18 -0.55 8.42 8.21 2vh4A1 LYS 156 HA -0.04 0.10 0.36 -0.75 4.32 3.98 2vh4A1 LYS 156 HB2 -0.04 0.06 0.15 -0.04 1.87 2.00 2vh4A1 LYS 156 HB3 -0.02 -0.01 0.04 -0.04 1.79 1.76 2vh4A1 ASP 157 H 0.01 0.09 -0.16 -0.55 8.40 7.79 2vh4A1 ASP 157 HA 0.01 0.09 0.45 -0.75 4.63 4.42 2vh4A1 ASP 157 HB2 0.04 -0.01 0.07 -0.04 2.71 2.76 2vh4A1 ASP 157 HB3 0.05 0.07 -0.05 -0.04 2.70 2.73 2vh4A1 PHE 158 H 0.16 0.13 -0.25 -0.55 8.34 7.83 2vh4A1 PHE 158 HA 0.02 0.09 0.51 -0.75 4.62 4.49 2vh4A1 PHE 158 HB2 0.01 0.29 0.16 -0.04 3.15 3.57 2vh4A1 PHE 158 HB3 -0.01 0.08 0.22 -0.04 3.06 3.30 2vh4A1 PHE 158 HD2 0.01 0.07 -0.19 -0.04 7.28 7.13 2vh4A1 PHE 158 HE2 0.01 0.08 -0.11 -0.04 7.38 7.32 2vh4A1 PHE 158 HZ -0.02 -0.02 -0.16 -0.04 7.32 7.07 2vh4A1 LEU 159 H 0.04 0.52 -0.08 -0.55 8.37 8.30 2vh4A1 LEU 159 HA -0.32 0.03 0.35 -0.75 4.35 3.66 2vh4A1 LEU 159 HB2 -0.06 0.09 0.06 -0.04 1.64 1.69 2vh4A1 LEU 159 HB3 -0.07 -0.03 -0.03 -0.04 1.64 1.47 2vh4A1 LEU 159 HG -0.01 0.11 -0.05 -0.04 1.64 1.65 2vh4A1 LEU 159 HD13 -0.19 -0.01 -0.10 -0.04 0.93 0.59 2vh4A1 LEU 159 HD23 -0.00 -0.01 -0.07 -0.04 0.89 0.76 2vh4A1 GLN 160 H -0.06 0.34 -0.42 -0.55 8.47 7.78 2vh4A1 GLN 160 HA -0.07 0.05 0.36 -0.75 4.36 3.94 2vh4A1 GLN 160 HB2 -0.04 0.11 0.10 -0.04 2.15 2.28 2vh4A1 GLN 160 HB3 -0.03 0.06 0.12 -0.04 2.02 2.12 2vh4A1 GLN 160 HG2 -0.04 -0.02 -0.03 -0.04 2.40 2.27 2vh4A1 GLN 160 HG3 -0.06 -0.03 -0.14 -0.04 2.39 2.13 2vh4A1 GLN 160 HE21 -0.06 0.52 -0.13 -0.04 6.97 7.27 2vh4A1 GLN 160 HE22 -0.07 -0.15 -0.01 -0.04 7.69 7.42 2vh4A1 ILE 161 H -0.06 0.51 -0.08 -0.55 8.25 8.07 2vh4A1 ILE 161 HA 0.02 0.02 0.37 -0.75 4.18 3.84 2vh4A1 ILE 161 HB 0.06 0.05 0.14 -0.04 1.89 2.11 2vh4A1 ILE 161 HG12 0.29 -0.00 -0.03 -0.04 1.49 1.71 2vh4A1 ILE 161 HG13 0.30 -0.02 0.09 -0.04 1.21 1.53 2vh4A1 ILE 161 HG23 0.01 0.05 0.01 -0.04 0.93 0.96 2vh4A1 ILE 161 HD13 0.15 -0.01 -0.00 -0.04 0.88 0.98 2vh4A1 ILE 162 H -0.21 0.40 -0.39 -0.55 8.25 7.50 2vh4A1 ILE 162 HA 0.15 0.04 0.45 -0.75 4.18 4.07 2vh4A1 ILE 162 HB -0.30 0.13 0.06 -0.04 1.89 1.73 2vh4A1 ILE 162 HG12 -0.95 0.32 0.03 -0.04 1.49 0.85 2vh4A1 ILE 162 HG13 -1.06 -0.06 -0.09 -0.04 1.21 -0.04 2vh4A1 ILE 162 HG23 -0.11 -0.03 -0.20 -0.04 0.93 0.55 2vh4A1 ILE 162 HD13 -0.27 0.02 -0.03 -0.04 0.88 0.56 2vh4A1 ALA 163 H -0.08 0.53 -0.10 -0.55 8.40 8.21 2vh4A1 ALA 163 HA 0.00 -0.07 0.38 -0.75 4.34 3.89 2vh4A1 ALA 163 HB3 -0.06 0.03 0.01 -0.04 1.41 1.35 2vh4A1 ASP 164 H -0.05 0.48 -0.31 -0.55 8.40 7.97 2vh4A1 ASP 164 HA -0.15 0.05 0.39 -0.75 4.63 4.16 2vh4A1 ASP 164 HB2 -0.21 0.02 0.14 -0.04 2.71 2.62 2vh4A1 ASP 164 HB3 -0.54 -0.01 -0.05 -0.04 2.70 2.06 2vh4A1 TYR 165 H 0.11 0.39 -0.09 -0.55 8.29 8.15 2vh4A1 TYR 165 HA -0.17 0.16 0.68 -0.75 4.56 4.47 2vh4A1 TYR 165 HB2 -0.04 0.11 0.11 -0.04 3.06 3.21 2vh4A1 TYR 165 HB3 -0.45 0.02 0.04 -0.04 2.98 2.55 2vh4A1 TYR 165 HD2 -0.12 0.11 -0.01 -0.04 7.15 7.09 2vh4A1 TYR 165 HE2 -0.12 0.00 -0.04 -0.04 6.85 6.66 2vh4A1 TYR 166 H 0.25 0.47 -0.03 -0.55 8.29 8.42 2vh4A1 TYR 166 HA 0.16 0.20 0.78 -0.75 4.56 4.95 2vh4A1 TYR 166 HB2 0.06 0.11 0.05 -0.04 3.06 3.24 2vh4A1 TYR 166 HB3 0.10 -0.07 0.04 -0.04 2.98 3.01 2vh4A1 TYR 166 HD2 0.12 0.04 -0.01 -0.04 7.15 7.25 2vh4A1 TYR 166 HE2 0.08 -0.03 -0.10 -0.04 6.85 6.76 2vh4A1 LYS 167 H 0.13 0.22 -0.20 -0.55 8.42 8.02 2vh4A1 LYS 167 HA 0.07 0.18 0.32 -0.75 4.32 4.13 2vh4A1 ALA 168 H 0.08 0.04 -0.32 -0.55 8.40 7.66 2vh4A1 ALA 168 HA 0.10 0.23 0.24 -0.75 4.34 4.16 2vh4A1 ALA 168 HB3 0.00 -0.04 -0.28 -0.04 1.41 1.05 2vh4A1 ASP 169 H 0.04 0.51 0.40 -0.55 8.40 8.80 2vh4A1 ASP 169 HA -0.27 0.12 0.78 -0.75 4.63 4.51 2vh4A1 ASP 169 HB2 -0.16 -0.06 0.24 -0.04 2.71 2.68 2vh4A1 ASP 169 HB3 -0.75 -0.03 0.03 -0.04 2.70 1.91 2vh4A1 ILE 170 H -0.49 0.26 0.17 -0.55 8.25 7.63 2vh4A1 ILE 170 HA -0.37 0.20 1.05 -0.75 4.18 4.30 2vh4A1 ILE 170 HB -0.17 0.04 0.14 -0.04 1.89 1.87 2vh4A1 ILE 170 HG12 -0.06 -0.05 -0.06 -0.04 1.49 1.28 2vh4A1 ILE 170 HG13 -0.16 0.01 -0.48 -0.04 1.21 0.55 2vh4A1 ILE 170 HG23 0.11 -0.03 -0.17 -0.04 0.93 0.80 2vh4A1 ILE 170 HD13 -0.08 0.02 -0.03 -0.04 0.88 0.74 2vh4A1 PHE 171 H -0.35 0.79 0.36 -0.55 8.34 8.58 2vh4A1 PHE 171 HA -0.29 0.17 1.04 -0.75 4.62 4.78 2vh4A1 PHE 171 HB2 -1.07 -0.05 0.15 -0.04 3.15 2.13 2vh4A1 PHE 171 HB3 -0.47 -0.01 -0.05 -0.04 3.06 2.49 2vh4A1 PHE 171 HD2 -1.52 0.02 -0.08 -0.04 7.28 5.66 2vh4A1 PHE 171 HE2 -0.54 0.01 -0.06 -0.04 7.38 6.74 2vh4A1 PHE 171 HZ -0.01 0.03 -0.05 -0.04 7.32 7.25 2vh4A1 LYS 172 H -0.15 0.20 0.15 -0.55 8.42 8.07 2vh4A1 LYS 172 HA -1.23 0.19 0.81 -0.75 4.32 3.33 2vh4A1 LYS 172 HB2 -0.26 0.01 0.09 -0.04 1.87 1.67 2vh4A1 LYS 172 HB3 -0.12 -0.03 0.16 -0.04 1.79 1.76 2vh4A1 LYS 172 HG2 -0.08 -0.07 -0.11 -0.04 1.46 1.16 2vh4A1 LYS 172 HG3 -0.35 0.08 -0.03 -0.04 1.46 1.11 2vh4A1 LYS 172 HD2 0.28 -0.00 0.00 -0.04 1.69 1.92 2vh4A1 LYS 172 HD3 0.06 -0.03 0.01 -0.04 1.68 1.68 2vh4A1 LYS 172 HE2 0.08 -0.03 0.05 -0.04 2.99 3.05 2vh4A1 LYS 172 HE3 0.19 0.06 0.05 -0.04 2.99 3.25 2vh4A1 ALA 173 H -0.15 0.81 0.33 -0.55 8.40 8.85 2vh4A1 ALA 173 HA 0.09 0.19 0.92 -0.75 4.34 4.78 2vh4A1 ALA 173 HB3 0.37 -0.03 -0.11 -0.04 1.41 1.60 2vh4A1 ALA 174 H 0.14 0.12 0.16 -0.55 8.40 8.27 2vh4A1 ALA 174 HA 0.10 0.15 0.61 -0.75 4.34 4.44 2vh4A1 ALA 174 HB3 0.07 0.00 0.07 -0.04 1.41 1.51 2vh4A1 PHE 175 H 0.34 -0.01 -0.16 -0.55 8.34 7.96 2vh4A1 PHE 175 HA 0.02 -0.02 0.20 -0.75 4.62 4.07 2vh4A1 PHE 175 HB2 0.05 0.16 -0.17 -0.04 3.15 3.16 2vh4A1 PHE 175 HB3 0.05 0.06 0.13 -0.04 3.06 3.26 2vh4A1 PHE 175 HD2 0.09 -0.05 -0.34 -0.04 7.28 6.94 2vh4A1 PHE 175 HE2 0.08 -0.03 -0.52 -0.04 7.38 6.88 2vh4A1 PHE 175 HZ 0.26 0.15 -0.51 -0.04 7.32 7.18 2vh4A1 ASP 176 H 0.05 -0.14 -0.09 -0.55 8.40 7.67 2vh4A1 ASP 176 HA 0.03 0.36 0.73 -0.75 4.63 5.00 2vh4A1 ASP 176 HB2 0.01 -0.11 0.21 -0.04 2.71 2.78 2vh4A1 ASP 176 HB3 0.04 0.22 -0.02 -0.04 2.70 2.90 2vh4A1 SER 177 H -0.01 0.26 0.14 -0.55 8.46 8.30 2vh4A1 SER 177 HA -0.06 0.12 0.36 -0.75 4.49 4.14 2vh4A1 SER 177 HB2 -0.02 0.06 0.15 -0.04 3.95 4.09 2vh4A1 SER 177 HB3 -0.03 0.03 0.05 -0.04 3.93 3.94 2vh4A1 SER 178 H -0.03 0.08 -0.19 -0.55 8.46 7.77 2vh4A1 SER 178 HA -0.04 0.16 0.46 -0.75 4.49 4.31 2vh4A1 SER 178 HB2 -0.01 0.10 0.03 -0.04 3.95 4.03 2vh4A1 SER 178 HB3 -0.01 0.07 0.06 -0.04 3.93 4.01 2vh4A1 THR 179 H -0.06 0.04 -0.27 -0.55 8.28 7.44 2vh4A1 THR 179 HA -0.10 0.12 0.47 -0.75 4.39 4.13 2vh4A1 THR 179 HB -0.22 0.22 -0.01 -0.04 4.32 4.28 2vh4A1 THR 179 HG23 -0.30 0.04 -0.09 -0.04 1.22 0.83 2vh4A1 VAL 180 H -0.18 0.29 -0.37 -0.55 8.24 7.43 2vh4A1 VAL 180 HA -0.35 0.01 0.30 -0.75 4.13 3.33 2vh4A1 VAL 180 HB -0.13 0.26 0.07 -0.04 2.12 2.28 2vh4A1 VAL 180 HG13 -0.14 0.03 -0.37 -0.04 0.97 0.44 2vh4A1 VAL 180 HG23 -0.18 0.02 -0.28 -0.04 0.95 0.46 2vh4A1 SER 181 H -0.12 0.33 -0.18 -0.55 8.46 7.94 2vh4A1 SER 181 HA -0.10 0.08 0.46 -0.75 4.49 4.17 2vh4A1 SER 181 HB2 -0.05 0.02 0.04 -0.04 3.95 3.92 2vh4A1 SER 181 HB3 -0.07 0.02 0.09 -0.04 3.93 3.93 2vh4A1 ASP 182 H -0.13 0.53 -0.14 -0.55 8.40 8.11 2vh4A1 ASP 182 HA -0.01 0.05 0.43 -0.75 4.63 4.35 2vh4A1 ASP 182 HB2 -0.12 -0.00 0.20 -0.04 2.71 2.74 2vh4A1 ASP 182 HB3 0.17 0.01 -0.04 -0.04 2.70 2.79 2vh4A1 ILE 183 H -0.51 0.54 -0.24 -0.55 8.25 7.50 2vh4A1 ILE 183 HA -0.90 0.06 0.33 -0.75 4.18 2.91 2vh4A1 ILE 183 HB -0.69 0.06 0.10 -0.04 1.89 1.32 2vh4A1 ILE 183 HG12 -3.46 0.00 -0.07 -0.04 1.49 -2.07 2vh4A1 ILE 183 HG13 -1.48 0.16 0.00 -0.04 1.21 -0.15 2vh4A1 ILE 183 HG23 -0.61 -0.02 -0.19 -0.04 0.93 0.07 2vh4A1 ILE 183 HD13 -1.14 -0.03 -0.14 -0.04 0.88 -0.47 2vh4A1 ASN 184 H -0.22 0.56 -0.05 -0.55 8.53 8.28 2vh4A1 ASN 184 HA -0.06 -0.08 0.45 -0.75 4.76 4.31 2vh4A1 ASN 184 HB2 -0.09 0.04 0.16 -0.04 2.88 2.95 2vh4A1 ASN 184 HB3 -0.07 0.33 0.25 -0.04 2.79 3.27 2vh4A1 ASN 184 HD21 -0.14 0.18 0.01 -0.04 7.03 7.04 2vh4A1 ASN 184 HD22 -0.11 -0.03 -0.07 -0.04 7.74 7.49 2vh4A1 ASN 185 H -0.04 0.57 -0.22 -0.55 8.53 8.30 2vh4A1 ASN 185 HA 0.00 0.01 0.49 -0.75 4.76 4.51 2vh4A1 ASN 185 HB2 0.05 0.15 0.17 -0.04 2.88 3.21 2vh4A1 ASN 185 HB3 0.06 -0.05 -0.04 -0.04 2.79 2.72 2vh4A1 ASN 185 HD21 -0.01 -0.08 -0.07 -0.04 7.03 6.83 2vh4A1 ASN 185 HD22 0.01 -0.04 -0.07 -0.04 7.74 7.60 2vh4A1 TRP 186 H 0.26 0.44 -0.23 -0.55 7.97 7.90 2vh4A1 TRP 186 HA 0.10 0.01 0.40 -0.75 4.62 4.38 2vh4A1 TRP 186 HB2 0.33 0.06 0.11 -0.04 3.23 3.69 2vh4A1 TRP 186 HB3 0.19 0.11 0.14 -0.04 3.23 3.62 2vh4A1 TRP 186 HD1 0.26 -0.01 -0.02 -0.04 7.22 7.41 2vh4A1 TRP 186 HE1 0.25 0.03 -0.02 -0.04 10.20 10.41 2vh4A1 TRP 186 HE3 0.17 0.01 -0.27 -0.04 7.59 7.46 2vh4A1 TRP 186 HZ2 0.15 0.12 -0.25 -0.04 7.44 7.42 2vh4A1 TRP 186 HZ3 0.16 -0.02 -0.33 -0.04 7.13 6.90 2vh4A1 TRP 186 HH2 0.16 0.11 -0.60 -0.04 7.19 6.82 2vh4A1 VAL 187 H 0.27 0.47 -0.12 -0.55 8.24 8.31 2vh4A1 VAL 187 HA -0.01 0.01 0.20 -0.75 4.13 3.58 2vh4A1 VAL 187 HB 0.15 -0.02 -0.08 -0.04 2.12 2.14 2vh4A1 VAL 187 HG13 0.30 0.06 -0.10 -0.04 0.97 1.19 2vh4A1 VAL 187 HG23 0.03 0.10 -0.40 -0.04 0.95 0.64 2vh4A1 LYS 188 H 0.00 0.58 -0.22 -0.55 8.42 8.22 2vh4A1 LYS 188 HA -0.06 0.07 0.35 -0.75 4.32 3.93 2vh4A1 LYS 188 HB2 -0.04 0.14 0.19 -0.04 1.87 2.13 2vh4A1 LYS 188 HB3 -0.03 0.10 0.17 -0.04 1.79 1.99 2vh4A1 LYS 188 HG2 -0.06 -0.03 -0.21 -0.04 1.46 1.12 2vh4A1 LYS 188 HG3 -0.06 -0.08 -0.05 -0.04 1.46 1.23 2vh4A1 LYS 188 HD2 -0.04 -0.00 -0.02 -0.04 1.69 1.58 2vh4A1 LYS 188 HD3 -0.03 0.02 -0.02 -0.04 1.68 1.60 2vh4A1 LYS 188 HE2 -0.04 -0.02 -0.05 -0.04 2.99 2.84 2vh4A1 LYS 188 HE3 -0.04 -0.00 -0.08 -0.04 2.99 2.82 2vh4A1 SER 189 H -0.08 0.58 -0.18 -0.55 8.46 8.24 2vh4A1 SER 189 HA -0.09 -0.02 0.44 -0.75 4.49 4.07 2vh4A1 SER 189 HB2 -0.08 0.19 0.17 -0.04 3.95 4.20 2vh4A1 SER 189 HB3 -0.23 0.08 0.11 -0.04 3.93 3.84 2vh4A1 LYS 190 H -0.36 0.69 -0.02 -0.55 8.42 8.18 2vh4A1 LYS 190 HA -0.27 0.07 0.27 -0.75 4.32 3.63 2vh4A1 LYS 190 HB2 -0.66 -0.01 -0.06 -0.04 1.87 1.11 2vh4A1 LYS 190 HB3 -0.46 -0.04 0.00 -0.04 1.79 1.25 2vh4A1 LYS 190 HG2 -1.43 0.19 0.01 -0.04 1.46 0.19 2vh4A1 LYS 190 HG3 -2.44 -0.06 -0.11 -0.04 1.46 -1.18 2vh4A1 LYS 190 HD2 -0.36 0.01 -0.06 -0.04 1.69 1.24 2vh4A1 LYS 190 HD3 -0.39 -0.02 -0.14 -0.04 1.68 1.09 2vh4A1 LYS 190 HE2 -0.64 -0.03 -0.03 -0.04 2.99 2.25 2vh4A1 LYS 190 HE3 -0.15 0.01 -0.02 -0.04 2.99 2.78 2vh4A1 THR 191 H -0.12 0.35 -0.54 -0.55 8.28 7.42 2vh4A1 THR 191 HA -0.02 0.24 0.82 -0.75 4.39 4.67 2vh4A1 THR 191 HB 0.01 -0.11 0.15 -0.04 4.32 4.34 2vh4A1 THR 191 HG23 0.02 0.02 -0.10 -0.04 1.22 1.12 2vh4A1 ASN 192 H -0.09 0.45 -0.27 -0.55 8.53 8.07 2vh4A1 ASN 192 HA -0.07 0.10 0.32 -0.75 4.76 4.35 2vh4A1 ASN 192 HB2 -0.05 0.07 0.09 -0.04 2.88 2.95 2vh4A1 ASN 192 HB3 -0.06 -0.05 0.13 -0.04 2.79 2.77 2vh4A1 ASN 192 HD21 -0.06 0.00 -0.16 -0.04 7.03 6.77 2vh4A1 ASN 192 HD22 -0.06 -0.04 -0.13 -0.04 7.74 7.47 2vh4A1 GLY 193 H -0.08 0.69 -0.08 -0.55 8.43 8.40 2vh4A1 GLY 193 HA2 -0.09 -0.04 0.16 -0.51 4.01 3.53 2vh4A1 GLY 193 HA3 -0.10 0.08 0.37 -0.51 4.01 3.85 2vh4A1 MET 194 H -0.12 0.38 -0.60 -0.55 8.47 7.59 2vh4A1 MET 194 HA -0.57 0.07 0.38 -0.75 4.52 3.65 2vh4A1 MET 194 HB2 -0.03 0.10 0.04 -0.04 2.15 2.21 2vh4A1 MET 194 HB3 -0.10 -0.10 -0.08 -0.04 2.03 1.72 2vh4A1 MET 194 HG2 -0.20 -0.07 -0.11 -0.04 2.63 2.20 2vh4A1 MET 194 HG3 -0.08 0.17 -0.10 -0.04 2.56 2.51 2vh4A1 MET 194 HE3 0.01 0.05 -0.05 -0.04 2.10 2.06 2vh4A1 ILE 195 H -0.08 0.17 -0.28 -0.55 8.25 7.51 2vh4A1 ILE 195 HA -0.07 0.12 0.60 -0.75 4.18 4.08 2vh4A1 ILE 195 HB 0.01 0.02 -0.10 -0.04 1.89 1.78 2vh4A1 ILE 195 HG12 0.06 0.02 -0.23 -0.04 1.49 1.30 2vh4A1 ILE 195 HG13 0.03 0.05 -0.79 -0.04 1.21 0.46 2vh4A1 ILE 195 HG23 0.01 -0.02 -0.28 -0.04 0.93 0.60 2vh4A1 ILE 195 HD13 0.10 -0.00 -0.39 -0.04 0.88 0.55 2vh4A1 ASP 196 H -0.06 0.17 -0.07 -0.55 8.40 7.89 2vh4A1 ASP 196 HA -0.04 0.19 0.75 -0.75 4.63 4.77 2vh4A1 ASP 196 HB2 -0.05 -0.01 0.00 -0.04 2.71 2.61 2vh4A1 ASP 196 HB3 -0.06 0.03 -0.05 -0.04 2.70 2.58 2vh4A1 LYS 197 H -0.03 0.15 -0.10 -0.55 8.42 7.88 2vh4A1 LYS 197 HA -0.06 0.10 0.83 -0.75 4.32 4.44 2vh4A1 LYS 197 HB2 -0.04 -0.02 -0.03 -0.04 1.87 1.74 2vh4A1 LYS 197 HB3 -0.06 0.08 -0.08 -0.04 1.79 1.69 2vh4A1 LYS 197 HG2 -0.06 0.07 -0.05 -0.04 1.46 1.38 2vh4A1 LYS 197 HG3 -0.05 -0.06 -0.42 -0.04 1.46 0.89 2vh4A1 ILE 198 H -0.09 0.02 0.08 -0.55 8.25 7.71 2vh4A1 ILE 198 HA -0.04 0.22 0.75 -0.75 4.18 4.36 2vh4A1 ILE 198 HB -0.01 0.06 -0.16 -0.04 1.89 1.74 2vh4A1 ILE 198 HG12 -0.01 -0.01 -0.13 -0.04 1.49 1.30 2vh4A1 ILE 198 HG13 -0.04 -0.03 -0.07 -0.04 1.21 1.02 2vh4A1 ILE 198 HG23 -0.14 -0.00 -0.18 -0.04 0.93 0.57 2vh4A1 ILE 198 HD13 0.02 0.02 -0.07 -0.04 0.88 0.81 2vh4A1 LEU 199 H -0.16 0.02 0.12 -0.55 8.37 7.81 2vh4A1 LEU 199 HA -0.13 0.21 0.86 -0.75 4.35 4.54 2vh4A1 LEU 199 HB2 -0.31 -0.01 0.00 -0.04 1.64 1.28 2vh4A1 LEU 199 HB3 -0.25 -0.04 -0.14 -0.04 1.64 1.17 2vh4A1 LEU 199 HG -0.43 0.01 -0.22 -0.04 1.64 0.96 2vh4A1 LEU 199 HD13 -0.89 -0.01 -0.17 -0.04 0.93 -0.17 2vh4A1 LEU 199 HD23 -0.20 0.07 0.01 -0.04 0.89 0.73 2vh4A1 ASN 200 H -0.09 0.06 0.16 -0.55 8.53 8.11 2vh4A1 ASN 200 HA -0.09 0.21 0.65 -0.75 4.76 4.78 2vh4A1 ASN 200 HB2 -0.05 -0.00 0.00 -0.04 2.88 2.79 2vh4A1 ASN 200 HB3 -0.05 0.01 0.04 -0.04 2.79 2.75 2vh4A1 ASN 200 HD21 -0.04 0.00 -0.06 -0.04 7.03 6.89 2vh4A1 ASN 200 HD22 -0.05 -0.03 0.06 -0.04 7.74 7.68 2vh4A1 LYS 201 H -0.09 0.08 0.18 -0.55 8.42 8.03 2vh4A1 LYS 201 HA -0.07 0.08 0.47 -0.75 4.32 4.04 2vh4A1 LYS 201 HB2 -0.02 0.05 -0.06 -0.04 1.87 1.79 2vh4A1 LYS 201 HB3 -0.04 0.16 -0.08 -0.04 1.79 1.78 2vh4A1 ILE 202 H -0.04 0.21 0.00 -0.55 8.25 7.87 2vh4A1 ILE 202 HA 0.03 0.13 0.92 -0.75 4.18 4.50 2vh4A1 ILE 202 HB -0.02 0.02 -0.11 -0.04 1.89 1.75 2vh4A1 ILE 202 HG12 -0.25 0.06 -0.17 -0.04 1.49 1.09 2vh4A1 ILE 202 HG13 -0.22 -0.13 -0.48 -0.04 1.21 0.34 2vh4A1 ILE 202 HG23 0.20 0.03 -0.18 -0.04 0.93 0.93 2vh4A1 ILE 202 HD13 -0.43 0.03 -0.26 -0.04 0.88 0.17 2vh4A1 ASP 203 H 0.07 0.12 0.07 -0.55 8.40 8.12 2vh4A1 ASP 203 HA 0.03 0.15 0.57 -0.75 4.63 4.63 2vh4A1 ASP 203 HB2 0.03 0.00 0.13 -0.04 2.71 2.83 2vh4A1 ASP 203 HB3 0.02 -0.16 -0.01 -0.04 2.70 2.51 2vh4A1 PRO 204 HA 0.06 0.16 0.45 -0.51 4.44 4.60 2vh4A1 PRO 204 HB2 0.02 0.01 0.01 -0.04 2.28 2.29 2vh4A1 PRO 204 HB3 0.03 0.05 0.13 -0.04 2.02 2.19 2vh4A1 PRO 204 HG2 0.02 0.04 0.10 -0.04 2.03 2.15 2vh4A1 PRO 204 HG3 0.03 0.07 0.13 -0.04 2.03 2.22 2vh4A1 PRO 204 HD2 0.02 0.06 0.21 -0.04 3.68 3.93 2vh4A1 PRO 204 HD3 0.03 0.18 0.29 -0.04 3.65 4.10 2vh4A1 GLU 205 H 0.02 -0.02 -0.41 -0.55 8.60 7.64 2vh4A1 GLU 205 HA -0.01 0.28 0.78 -0.75 4.29 4.58 2vh4A1 GLU 205 HB2 -0.01 -0.04 0.02 -0.04 2.09 2.02 2vh4A1 GLU 205 HB3 -0.01 -0.03 0.15 -0.04 1.99 2.06 2vh4A1 GLU 205 HG2 0.02 0.06 -0.04 -0.04 2.34 2.35 2vh4A1 GLU 205 HG3 0.01 0.07 -0.20 -0.04 2.34 2.19 2vh4A1 ASP 206 H 0.03 0.32 -0.21 -0.55 8.40 7.98 2vh4A1 ASP 206 HA -0.15 0.11 0.75 -0.75 4.63 4.58 2vh4A1 ASP 206 HB2 0.23 0.14 0.06 -0.04 2.71 3.09 2vh4A1 ASP 206 HB3 -0.05 -0.01 -0.02 -0.04 2.70 2.58 2vh4A1 VAL 207 H -0.27 0.58 0.41 -0.55 8.24 8.42 2vh4A1 VAL 207 HA -0.48 0.14 0.93 -0.75 4.13 3.97 2vh4A1 VAL 207 HB -0.62 -0.05 0.02 -0.04 2.12 1.43 2vh4A1 VAL 207 HG13 -0.15 0.03 -0.27 -0.04 0.97 0.54 2vh4A1 VAL 207 HG23 -0.65 0.03 -0.17 -0.04 0.95 0.12 2vh4A1 MET 208 H -0.27 0.25 0.32 -0.55 8.47 8.22 2vh4A1 MET 208 HA 0.25 0.39 0.96 -0.75 4.52 5.37 2vh4A1 MET 208 HB2 -0.34 0.03 -0.22 -0.04 2.15 1.57 2vh4A1 MET 208 HB3 -0.27 -0.09 0.02 -0.04 2.03 1.64 2vh4A1 MET 208 HG2 0.09 -0.04 -0.28 -0.04 2.63 2.36 2vh4A1 MET 208 HG3 0.22 0.11 -0.02 -0.04 2.56 2.84 2vh4A1 MET 208 HE3 0.18 0.01 -0.10 -0.04 2.10 2.15 2vh4A1 TYR 209 H 0.45 0.61 0.34 -0.55 8.29 9.14 2vh4A1 TYR 209 HA 0.02 0.37 0.97 -0.75 4.56 5.17 2vh4A1 TYR 209 HB2 -0.02 -0.05 0.11 -0.04 3.06 3.06 2vh4A1 TYR 209 HB3 -0.06 0.02 -0.05 -0.04 2.98 2.86 2vh4A1 TYR 209 HD2 -0.17 0.02 -0.18 -0.04 7.15 6.78 2vh4A1 TYR 209 HE2 -0.29 -0.01 -0.13 -0.04 6.85 6.39 2vh4A1 LEU 210 H 0.09 0.49 0.29 -0.55 8.37 8.69 2vh4A1 LEU 210 HA 0.16 0.27 1.08 -0.75 4.35 5.10 2vh4A1 LEU 210 HB2 0.06 -0.05 0.22 -0.04 1.64 1.82 2vh4A1 LEU 210 HB3 0.08 0.08 0.09 -0.04 1.64 1.84 2vh4A1 LEU 210 HG 0.13 -0.00 -0.13 -0.04 1.64 1.60 2vh4A1 LEU 210 HD13 -0.08 -0.00 -0.08 -0.04 0.93 0.73 2vh4A1 LEU 210 HD23 0.18 0.01 -0.19 -0.04 0.89 0.85 2vh4A1 ILE 211 H 0.12 0.73 0.35 -0.55 8.25 8.90 2vh4A1 ILE 211 HA 0.15 0.38 1.29 -0.75 4.18 5.24 2vh4A1 ILE 211 HB 0.02 -0.02 0.04 -0.04 1.89 1.88 2vh4A1 ILE 211 HG12 0.06 -0.02 -0.16 -0.04 1.49 1.32 2vh4A1 ILE 211 HG13 0.14 -0.13 -0.66 -0.04 1.21 0.53 2vh4A1 ILE 211 HG23 0.28 -0.00 -0.25 -0.04 0.93 0.91 2vh4A1 ILE 211 HD13 -0.26 -0.01 -0.15 -0.04 0.88 0.41 2vh4A1 ASN 212 H 0.20 0.60 0.43 -0.55 8.53 9.21 2vh4A1 ASN 212 HA 0.34 0.36 1.23 -0.75 4.76 5.94 2vh4A1 ASN 212 HB2 0.19 -0.04 0.05 -0.04 2.88 3.04 2vh4A1 ASN 212 HB3 0.19 -0.01 0.24 -0.04 2.79 3.18 2vh4A1 ASN 212 HD21 0.18 -0.01 -0.04 -0.04 7.03 7.12 2vh4A1 ASN 212 HD22 0.22 -0.01 -0.04 -0.04 7.74 7.87 2vh4A1 ALA 213 H 0.33 0.79 0.41 -0.55 8.40 9.39 2vh4A1 ALA 213 HA 0.16 0.31 1.13 -0.75 4.34 5.19 2vh4A1 ALA 213 HB3 0.05 -0.01 -0.03 -0.04 1.41 1.38 2vh4A1 VAL 214 H 0.11 0.56 0.44 -0.55 8.24 8.80 2vh4A1 VAL 214 HA 0.08 0.37 1.04 -0.75 4.13 4.88 2vh4A1 VAL 214 HB 0.08 -0.11 0.11 -0.04 2.12 2.15 2vh4A1 VAL 214 HG13 0.12 0.01 -0.15 -0.04 0.97 0.90 2vh4A1 VAL 214 HG23 0.07 -0.02 -0.17 -0.04 0.95 0.79 2vh4A1 ALA 215 H 0.09 0.55 0.36 -0.55 8.40 8.84 2vh4A1 ALA 215 HA 0.14 0.19 1.05 -0.75 4.34 4.97 2vh4A1 ALA 215 HB3 0.01 0.00 -0.02 -0.04 1.41 1.36 2vh4A1 PHE 216 H 0.17 0.77 0.39 -0.55 8.34 9.12 2vh4A1 PHE 216 HA -0.12 0.38 1.04 -0.75 4.62 5.17 2vh4A1 PHE 216 HB2 0.08 -0.03 -0.06 -0.04 3.15 3.11 2vh4A1 PHE 216 HB3 -0.11 -0.07 0.17 -0.04 3.06 3.01 2vh4A1 PHE 216 HD2 -0.37 -0.02 -0.15 -0.04 7.28 6.71 2vh4A1 PHE 216 HE2 -0.94 -0.02 -0.14 -0.04 7.38 6.25 2vh4A1 PHE 216 HZ -0.93 -0.04 -0.14 -0.04 7.32 6.18 2vh4A1 ASP 217 H -0.61 0.66 0.20 -0.55 8.40 8.10 2vh4A1 ASP 217 HA -0.38 0.21 0.92 -0.75 4.63 4.62 2vh4A1 ASP 217 HB2 -0.16 0.04 -0.14 -0.04 2.71 2.41 2vh4A1 ASP 217 HB3 -0.21 -0.07 0.13 -0.04 2.70 2.51 2vh4A1 ALA 218 H -0.63 0.60 0.27 -0.55 8.40 8.09 2vh4A1 ALA 218 HA -0.34 0.10 0.63 -0.75 4.34 3.98 2vh4A1 ALA 218 HB3 -0.76 0.03 0.02 -0.04 1.41 0.65 2vh4A1 GLU 219 H -0.10 0.60 0.37 -0.55 8.60 8.93 2vh4A1 GLU 219 HA -0.16 0.17 1.03 -0.75 4.29 4.57 2vh4A1 GLU 219 HB2 0.01 -0.04 0.22 -0.04 2.09 2.25 2vh4A1 GLU 219 HB3 0.04 0.17 0.17 -0.04 1.99 2.33 2vh4A1 GLU 219 HG2 -0.06 0.02 0.00 -0.04 2.34 2.26 2vh4A1 GLU 219 HG3 -0.07 -0.11 0.02 -0.04 2.34 2.14 2vh4A1 TRP 220 H -0.09 0.50 0.27 -0.55 7.97 8.10 2vh4A1 TRP 220 HA 0.09 0.09 0.62 -0.75 4.62 4.67 2vh4A1 TRP 220 HB2 -0.02 -0.04 -0.25 -0.04 3.23 2.87 2vh4A1 TRP 220 HB3 -0.09 0.03 -0.21 -0.04 3.23 2.92 2vh4A1 TRP 220 HD1 0.08 0.10 -0.41 -0.04 7.22 6.95 2vh4A1 TRP 220 HE1 0.13 0.45 -0.01 -0.04 10.20 10.73 2vh4A1 TRP 220 HE3 -0.29 0.14 -0.16 -0.04 7.59 7.24 2vh4A1 TRP 220 HZ2 -0.25 0.03 -0.09 -0.04 7.44 7.09 2vh4A1 TRP 220 HZ3 -0.57 0.05 -0.15 -0.04 7.13 6.43 2vh4A1 TRP 220 HH2 -0.68 -0.03 -0.10 -0.04 7.19 6.34 2vh4A1 GLU 221 H 0.29 0.58 0.19 -0.55 8.60 9.12 2vh4A1 GLU 221 HA 0.11 -0.02 0.51 -0.75 4.29 4.14 2vh4A1 GLU 221 HB2 0.12 0.05 -0.28 -0.04 2.09 1.93 2vh4A1 GLU 221 HB3 0.08 0.05 0.06 -0.04 1.99 2.14 2vh4A1 GLU 221 HG2 0.03 0.01 -0.07 -0.04 2.34 2.27 2vh4A1 GLU 221 HG3 0.04 -0.00 -0.12 -0.04 2.34 2.21 2vh4A1 THR 222 H 0.06 0.18 -0.13 -0.55 8.28 7.84 2vh4A1 THR 222 HA -0.01 0.13 0.83 -0.75 4.39 4.59 2vh4A1 THR 222 HB -0.18 -0.00 0.16 -0.04 4.32 4.26 2vh4A1 THR 222 HG23 -0.11 0.04 -0.00 -0.04 1.22 1.10 2vh4A1 VAL 223 H 0.04 0.10 -0.01 -0.55 8.24 7.82 2vh4A1 VAL 223 HA 0.18 0.12 0.45 -0.75 4.13 4.12 2vh4A1 VAL 223 HB 0.16 0.11 0.14 -0.04 2.12 2.48 2vh4A1 VAL 223 HG13 0.14 0.01 0.09 -0.04 0.97 1.18 2vh4A1 VAL 223 HG23 0.04 -0.04 -0.13 -0.04 0.95 0.79 2vh4A1 TYR 224 H 0.25 0.58 0.31 -0.55 8.29 8.87 2vh4A1 TYR 224 HA -0.05 0.15 0.92 -0.75 4.56 4.83 2vh4A1 TYR 224 HB2 -0.00 -0.15 0.13 -0.04 3.06 3.00 2vh4A1 TYR 224 HB3 -0.04 0.09 -0.03 -0.04 2.98 2.96 2vh4A1 TYR 224 HD2 -0.08 0.09 -0.01 -0.04 7.15 7.11 2vh4A1 TYR 224 HE2 -0.55 0.00 -0.38 -0.04 6.85 5.88 2vh4A1 GLU 225 H 0.05 0.19 0.12 -0.55 8.60 8.42 2vh4A1 GLU 225 HA 0.05 0.10 0.66 -0.75 4.29 4.35 2vh4A1 GLU 225 HB2 0.03 0.03 0.12 -0.04 2.09 2.23 2vh4A1 GLU 225 HB3 0.03 -0.12 0.08 -0.04 1.99 1.94 2vh4A1 GLU 225 HG2 0.02 0.01 0.06 -0.04 2.34 2.38 2vh4A1 GLU 225 HG3 0.01 0.07 0.03 -0.04 2.34 2.41 2vh4A1 LYS 226 H 0.04 0.17 0.14 -0.55 8.42 8.22 2vh4A1 LYS 226 HA 0.03 0.12 0.39 -0.75 4.32 4.11 2vh4A1 LYS 226 HB2 0.03 0.01 0.14 -0.04 1.87 2.01 2vh4A1 LYS 226 HB3 0.02 0.00 0.07 -0.04 1.79 1.85 2vh4A1 LYS 226 HG2 0.01 0.00 0.02 -0.04 1.46 1.45 2vh4A1 LYS 226 HG3 0.02 0.06 0.05 -0.04 1.46 1.55 2vh4A1 LYS 226 HD2 0.01 0.00 0.04 -0.04 1.69 1.70 2vh4A1 LYS 226 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 2vh4A1 LYS 226 HE2 -0.00 0.01 -0.01 -0.04 2.99 2.95 2vh4A1 LYS 226 HE3 -0.00 0.02 -0.02 -0.04 2.99 2.94 2vh4A1 ALA 227 H 0.03 0.02 -0.25 -0.55 8.40 7.65 2vh4A1 ALA 227 HA 0.03 0.14 0.48 -0.75 4.34 4.23 2vh4A1 ALA 227 HB3 0.02 0.00 0.06 -0.04 1.41 1.44 2vh4A1 SER 228 H 0.05 0.39 -0.49 -0.55 8.46 7.87 2vh4A1 SER 228 HA 0.03 0.13 0.76 -0.75 4.49 4.66 2vh4A1 SER 228 HB2 0.14 0.12 0.15 -0.04 3.95 4.31 2vh4A1 SER 228 HB3 0.12 0.20 0.32 -0.04 3.93 4.53 2vh4A1 VAL 229 H 0.04 0.46 -0.30 -0.55 8.24 7.89 2vh4A1 VAL 229 HA 0.01 0.39 1.06 -0.75 4.13 4.83 2vh4A1 VAL 229 HB 0.00 0.05 0.11 -0.04 2.12 2.24 2vh4A1 VAL 229 HG13 -0.05 -0.02 -0.19 -0.04 0.97 0.66 2vh4A1 VAL 229 HG23 -0.05 -0.01 -0.13 -0.04 0.95 0.71 2vh4A1 HIS 230 H 0.12 0.48 0.30 -0.55 8.41 8.76 2vh4A1 HIS 230 HA 0.03 0.09 0.83 -0.75 4.63 4.82 2vh4A1 HIS 230 HB2 0.02 0.09 -0.24 -0.04 3.26 3.10 2vh4A1 HIS 230 HB3 0.05 0.00 0.02 -0.04 3.20 3.24 2vh4A1 HIS 230 HD2 0.06 -0.04 -0.19 -0.04 6.97 6.75 2vh4A1 HIS 230 HE1 0.02 -0.03 -0.00 -0.04 7.75 7.70 2vh4A1 GLU 231 H -0.28 0.17 0.15 -0.55 8.60 8.09 2vh4A1 GLU 231 HA -0.06 0.19 0.85 -0.75 4.29 4.51 2vh4A1 GLU 231 HB2 -0.08 -0.03 0.02 -0.04 2.09 1.96 2vh4A1 GLU 231 HB3 -0.12 -0.01 0.11 -0.04 1.99 1.94 2vh4A1 GLU 231 HG2 -0.04 0.03 -0.32 -0.04 2.34 1.97 2vh4A1 GLU 231 HG3 -0.04 -0.02 -0.30 -0.04 2.34 1.94 2vh4A1 ASP 232 H 0.09 0.62 0.37 -0.55 8.40 8.93 2vh4A1 ASP 232 HA 0.03 0.14 0.96 -0.75 4.63 5.00 2vh4A1 ASP 232 HB2 0.33 0.01 0.13 -0.04 2.71 3.14 2vh4A1 ASP 232 HB3 0.19 0.04 -0.02 -0.04 2.70 2.87 2vh4A1 ILE 233 H 0.09 0.18 0.20 -0.55 8.25 8.18 2vh4A1 ILE 233 HA 0.08 0.28 1.08 -0.75 4.18 4.86 2vh4A1 ILE 233 HB 0.04 -0.03 0.14 -0.04 1.89 2.00 2vh4A1 ILE 233 HG12 -0.01 0.02 -0.06 -0.04 1.49 1.40 2vh4A1 ILE 233 HG13 0.01 -0.07 -0.30 -0.04 1.21 0.81 2vh4A1 ILE 233 HG23 -0.01 0.01 -0.05 -0.04 0.93 0.83 2vh4A1 ILE 233 HD13 -0.00 -0.00 -0.03 -0.04 0.88 0.81 2vh4A1 PHE 234 H -0.13 0.71 0.40 -0.55 8.34 8.77 2vh4A1 PHE 234 HA 0.02 0.11 0.57 -0.75 4.62 4.57 2vh4A1 PHE 234 HB2 0.03 0.02 0.10 -0.04 3.15 3.26 2vh4A1 PHE 234 HB3 0.05 0.07 -0.14 -0.04 3.06 3.00 2vh4A1 PHE 234 HD2 0.04 0.08 -0.32 -0.04 7.28 7.04 2vh4A1 PHE 234 HE2 0.02 -0.05 -0.13 -0.04 7.38 7.19 2vh4A1 PHE 234 HZ 0.02 -0.03 -0.09 -0.04 7.32 7.18 2vh4A1 THR 235 H 0.16 0.22 0.15 -0.55 8.28 8.26 2vh4A1 THR 235 HA -0.11 0.22 0.84 -0.75 4.39 4.59 2vh4A1 THR 235 HB 0.01 0.02 -0.18 -0.04 4.32 4.14 2vh4A1 THR 235 HG23 -0.01 -0.01 -0.19 -0.04 1.22 0.97 2vh4A1 ASP 236 H -0.06 0.62 0.16 -0.55 8.40 8.57 2vh4A1 ASP 236 HA 0.17 0.18 0.44 -0.75 4.63 4.67 2vh4A1 ASP 236 HB2 0.08 -0.11 0.22 -0.04 2.71 2.86 2vh4A1 ASP 236 HB3 0.05 0.09 0.11 -0.04 2.70 2.90 2vh4A1 VAL 237 H -0.08 0.15 0.18 -0.55 8.24 7.93 2vh4A1 VAL 237 HA -0.12 0.15 0.39 -0.75 4.13 3.79 2vh4A1 TYR 238 H -0.09 -0.03 -0.24 -0.55 8.29 7.38 2vh4A1 TYR 238 HA 0.01 0.21 0.52 -0.75 4.56 4.55 2vh4A1 TYR 238 HB2 0.00 -0.06 0.01 -0.04 3.06 2.98 2vh4A1 TYR 238 HB3 0.00 0.06 0.12 -0.04 2.98 3.12 2vh4A1 TYR 238 HD2 0.01 0.01 0.00 -0.04 7.15 7.14 2vh4A1 TYR 238 HE2 0.01 0.02 0.00 -0.04 6.85 6.85 2vh4A1 GLY 239 H 0.04 0.31 -0.44 -0.55 8.43 7.79 2vh4A1 GLY 239 HA2 0.02 0.09 0.18 -0.51 4.01 3.79 2vh4A1 GLY 239 HA3 0.04 0.17 0.61 -0.51 4.01 4.32 2vh4A1 ASN 240 H 0.06 -0.07 -0.13 -0.55 8.53 7.84 2vh4A1 ASN 240 HA -0.00 0.16 0.67 -0.75 4.76 4.83 2vh4A1 ASN 240 HB2 0.03 -0.12 0.05 -0.04 2.88 2.80 2vh4A1 ASN 240 HB3 -0.01 0.13 -0.03 -0.04 2.79 2.84 2vh4A1 ASN 240 HD21 0.02 0.05 -0.05 -0.04 7.03 7.01 2vh4A1 ASN 240 HD22 0.06 -0.05 -0.02 -0.04 7.74 7.68 2vh4A1 ARG 241 H -0.04 0.15 0.21 -0.55 8.46 8.22 2vh4A1 ARG 241 HA -0.13 0.15 0.64 -0.75 4.34 4.25 2vh4A1 ARG 241 HB2 -0.04 0.01 0.16 -0.04 1.90 1.98 2vh4A1 ARG 241 HB3 -0.06 -0.04 0.18 -0.04 1.80 1.84 2vh4A1 ARG 241 HG2 -0.08 -0.01 -0.17 -0.04 1.67 1.37 2vh4A1 ARG 241 HG3 -0.07 0.05 0.01 -0.04 1.67 1.62 2vh4A1 ARG 241 HD2 -0.02 0.00 -0.00 -0.04 3.22 3.15 2vh4A1 ARG 241 HD3 -0.03 -0.02 0.01 -0.04 3.22 3.14 2vh4A1 GLN 242 H -0.44 0.94 0.56 -0.55 8.47 8.97 2vh4A1 GLN 242 HA -0.23 0.16 0.91 -0.75 4.36 4.45 2vh4A1 GLN 242 HB2 -1.73 -0.02 -0.01 -0.04 2.15 0.34 2vh4A1 GLN 242 HB3 -0.37 -0.01 0.05 -0.04 2.02 1.65 2vh4A1 GLN 242 HG2 -0.32 0.16 -0.15 -0.04 2.40 2.04 2vh4A1 GLN 242 HG3 -0.27 -0.08 -0.03 -0.04 2.39 1.97 2vh4A1 GLN 242 HE21 0.00 0.01 0.00 -0.04 6.97 6.94 2vh4A1 GLN 242 HE22 0.02 -0.07 0.00 -0.04 7.69 7.60 2vh4A1 LYS 243 H -0.12 0.24 0.15 -0.55 8.42 8.13 2vh4A1 LYS 243 HA 0.00 0.32 1.01 -0.75 4.32 4.90 2vh4A1 LYS 243 HB2 -0.04 -0.03 0.12 -0.04 1.87 1.88 2vh4A1 LYS 243 HB3 -0.02 0.00 -0.07 -0.04 1.79 1.66 2vh4A1 LYS 243 HG2 -0.03 0.02 -0.10 -0.04 1.46 1.31 2vh4A1 LYS 243 HG3 -0.07 0.01 -0.44 -0.04 1.46 0.92 2vh4A1 LYS 243 HD2 -0.03 0.00 -0.09 -0.04 1.69 1.53 2vh4A1 LYS 243 HD3 -0.04 -0.01 -0.09 -0.04 1.68 1.51 2vh4A1 LYS 243 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.87 2vh4A1 LYS 243 HE3 -0.03 0.01 -0.07 -0.04 2.99 2.86 2vh4A1 VAL 244 H 0.17 0.60 0.26 -0.55 8.24 8.72 2vh4A1 VAL 244 HA -0.07 0.18 1.05 -0.75 4.13 4.54 2vh4A1 VAL 244 HB 0.06 -0.00 0.09 -0.04 2.12 2.22 2vh4A1 VAL 244 HG13 -0.74 0.02 -0.14 -0.04 0.97 0.08 2vh4A1 VAL 244 HG23 0.19 -0.01 -0.12 -0.04 0.95 0.96 2vh4A1 GLU 245 H -0.15 0.22 0.19 -0.55 8.60 8.32 2vh4A1 GLU 245 HA -0.08 0.15 0.80 -0.75 4.29 4.41 2vh4A1 GLU 245 HB2 -0.12 -0.01 0.18 -0.04 2.09 2.10 2vh4A1 GLU 245 HB3 -0.09 0.04 -0.07 -0.04 1.99 1.83 2vh4A1 GLU 245 HG2 -0.06 -0.01 -0.11 -0.04 2.34 2.13 2vh4A1 GLU 245 HG3 -0.06 0.00 -0.06 -0.04 2.34 2.18 2vh4A1 PHE 246 H 0.12 0.66 0.33 -0.55 8.34 8.90 2vh4A1 PHE 246 HA -0.07 0.16 0.86 -0.75 4.62 4.82 2vh4A1 PHE 246 HB2 0.03 0.06 0.13 -0.04 3.15 3.33 2vh4A1 PHE 246 HB3 -0.02 0.01 -0.13 -0.04 3.06 2.88 2vh4A1 PHE 246 HD2 -0.00 0.03 -0.17 -0.04 7.28 7.09 2vh4A1 PHE 246 HE2 -0.06 0.01 -0.08 -0.04 7.38 7.21 2vh4A1 PHE 246 HZ -0.10 -0.02 -0.08 -0.04 7.32 7.08 2vh4A1 MET 247 H -0.04 0.49 0.11 -0.55 8.47 8.49 2vh4A1 MET 247 HA -0.19 0.20 0.93 -0.75 4.52 4.71 2vh4A1 MET 247 HB2 -0.79 0.04 0.11 -0.04 2.15 1.47 2vh4A1 MET 247 HB3 -1.64 -0.00 -0.07 -0.04 2.03 0.28 2vh4A1 MET 247 HG2 -0.32 -0.06 -0.28 -0.04 2.63 1.93 2vh4A1 MET 247 HG3 -0.31 0.09 -0.17 -0.04 2.56 2.14 2vh4A1 MET 247 HE3 -0.29 0.05 -0.29 -0.04 2.10 1.53 2vh4A1 ASN 248 H 0.01 0.75 0.33 -0.55 8.53 9.07 2vh4A1 ASN 248 HA 0.02 0.35 1.06 -0.75 4.76 5.44 2vh4A1 ASN 248 HB2 0.02 0.14 0.20 -0.04 2.88 3.20 2vh4A1 ASN 248 HB3 -0.01 -0.06 -0.05 -0.04 2.79 2.63 2vh4A1 ASN 248 HD21 -0.05 -0.04 -0.14 -0.04 7.03 6.76 2vh4A1 ASN 248 HD22 -0.04 -0.03 -0.10 -0.04 7.74 7.53 2vh4A1 SER 249 H -0.05 0.58 0.38 -0.55 8.46 8.83 2vh4A1 SER 249 HA -0.08 0.10 0.80 -0.75 4.49 4.56 2vh4A1 SER 249 HB2 -0.30 0.06 0.03 -0.04 3.95 3.70 2vh4A1 SER 249 HB3 -0.21 0.03 -0.23 -0.04 3.93 3.48 2vh4A1 GLU 250 H -0.12 0.16 0.18 -0.55 8.60 8.28 2vh4A1 GLU 250 HA -0.12 0.20 0.96 -0.75 4.29 4.58 2vh4A1 GLU 250 HB2 -0.08 -0.02 0.17 -0.04 2.09 2.12 2vh4A1 GLU 250 HB3 -0.07 0.02 0.05 -0.04 1.99 1.94 2vh4A1 GLU 250 HG2 -0.07 0.03 -0.04 -0.04 2.34 2.21 2vh4A1 GLU 250 HG3 -0.07 -0.01 0.02 -0.04 2.34 2.24 2vh4A1 GLU 251 H -0.14 0.74 0.37 -0.55 8.60 9.03 2vh4A1 GLU 251 HA -0.09 0.18 0.95 -0.75 4.29 4.57 2vh4A1 GLU 251 HB2 -0.16 0.05 0.09 -0.04 2.09 2.03 2vh4A1 GLU 251 HB3 0.01 -0.00 0.17 -0.04 1.99 2.12 2vh4A1 GLU 251 HG2 -0.37 -0.03 -0.26 -0.04 2.34 1.64 2vh4A1 GLU 251 HG3 -0.34 -0.01 -0.11 -0.04 2.34 1.83 2vh4A1 ASN 252 H 0.01 0.16 0.22 -0.55 8.53 8.37 2vh4A1 ASN 252 HA 0.01 0.39 0.94 -0.75 4.76 5.34 2vh4A1 ASN 252 HB2 0.00 -0.01 0.03 -0.04 2.88 2.86 2vh4A1 ASN 252 HB3 0.02 0.00 0.10 -0.04 2.79 2.86 2vh4A1 ASN 252 HD21 -0.03 -0.02 -0.15 -0.04 7.03 6.79 2vh4A1 ASN 252 HD22 -0.02 0.01 -0.18 -0.04 7.74 7.50 2vh4A1 LEU 253 H 0.10 0.10 0.14 -0.55 8.37 8.16 2vh4A1 LEU 253 HA 0.09 0.32 0.85 -0.75 4.35 4.86 2vh4A1 LEU 253 HB2 0.11 0.01 0.25 -0.04 1.64 1.97 2vh4A1 LEU 253 HB3 0.07 0.03 -0.03 -0.04 1.64 1.67 2vh4A1 LEU 253 HG 0.06 -0.10 -0.29 -0.04 1.64 1.27 2vh4A1 LEU 253 HD13 0.06 0.01 -0.07 -0.04 0.93 0.89 2vh4A1 LEU 253 HD23 0.04 0.05 -0.10 -0.04 0.89 0.84 2vh4A1 TYR 254 H 0.17 0.53 0.13 -0.55 8.29 8.57 2vh4A1 TYR 254 HA 0.10 0.22 1.09 -0.75 4.56 5.20 2vh4A1 TYR 254 HB2 0.04 0.03 -0.15 -0.04 3.06 2.94 2vh4A1 TYR 254 HB3 0.03 0.01 0.09 -0.04 2.98 3.06 2vh4A1 TYR 254 HD2 0.05 0.02 0.02 -0.04 7.15 7.21 2vh4A1 TYR 254 HE2 0.03 -0.06 0.01 -0.04 6.85 6.78 2vh4A1 ILE 255 H -0.11 0.49 -0.07 -0.55 8.25 8.01 2vh4A1 ILE 255 HA -0.20 0.16 0.61 -0.75 4.18 3.99 2vh4A1 ILE 255 HB -0.15 -0.12 -0.12 -0.04 1.89 1.46 2vh4A1 ILE 255 HG12 -0.13 0.16 -0.26 -0.04 1.49 1.21 2vh4A1 ILE 255 HG13 -0.08 -0.05 -0.33 -0.04 1.21 0.71 2vh4A1 ILE 255 HG23 -0.14 -0.01 -0.40 -0.04 0.93 0.33 2vh4A1 ILE 255 HD13 -0.16 0.00 -0.23 -0.04 0.88 0.46 2vh4A1 GLU 256 H -0.22 0.24 0.01 -0.55 8.60 8.09 2vh4A1 GLU 256 HA -0.25 0.21 0.89 -0.75 4.29 4.38 2vh4A1 GLU 256 HB2 -0.57 0.01 -0.23 -0.04 2.09 1.25 2vh4A1 GLU 256 HB3 -0.12 -0.02 0.15 -0.04 1.99 1.96 2vh4A1 GLU 256 HG2 -0.02 0.07 -0.08 -0.04 2.34 2.28 2vh4A1 GLU 256 HG3 -0.00 0.02 0.08 -0.04 2.34 2.40 2vh4A1 GLU 257 H -0.07 0.34 0.03 -0.55 8.60 8.35 2vh4A1 GLU 257 HA -0.02 0.19 0.80 -0.75 4.29 4.50 2vh4A1 GLU 258 H 0.02 0.13 0.14 -0.55 8.60 8.34 2vh4A1 GLU 258 HA 0.02 0.19 0.59 -0.75 4.29 4.33 2vh4A1 GLU 258 HB2 0.02 0.03 0.04 -0.04 2.09 2.14 2vh4A1 GLU 258 HB3 0.01 0.03 0.09 -0.04 1.99 2.08 2vh4A1 GLU 258 HG2 0.02 -0.06 0.12 -0.04 2.34 2.38 2vh4A1 GLU 258 HG3 0.03 0.01 -0.03 -0.04 2.34 2.31 2vh4A1 ASN 259 H 0.08 0.01 -0.09 -0.55 8.53 7.98 2vh4A1 ASN 259 HA 0.07 0.23 0.82 -0.75 4.76 5.12 2vh4A1 ASN 259 HB2 0.36 -0.00 0.13 -0.04 2.88 3.33 2vh4A1 ASN 259 HB3 0.13 0.03 -0.04 -0.04 2.79 2.86 2vh4A1 ASN 259 HD21 -0.09 0.04 -0.08 -0.04 7.03 6.87 2vh4A1 ASN 259 HD22 0.04 0.02 -0.04 -0.04 7.74 7.72 2vh4A1 ALA 260 H 0.04 0.27 -0.38 -0.55 8.40 7.78 2vh4A1 ALA 260 HA -0.07 0.18 0.67 -0.75 4.34 4.37 2vh4A1 ALA 260 HB3 0.02 0.02 -0.24 -0.04 1.41 1.18 2vh4A1 ILE 261 H -0.06 0.66 0.30 -0.55 8.25 8.60 2vh4A1 ILE 261 HA -0.11 0.28 0.82 -0.75 4.18 4.42 2vh4A1 ILE 261 HB 0.03 -0.03 0.07 -0.04 1.89 1.92 2vh4A1 ILE 261 HG12 0.23 -0.04 0.06 -0.04 1.49 1.70 2vh4A1 ILE 261 HG13 0.07 0.13 0.25 -0.04 1.21 1.62 2vh4A1 ILE 261 HG23 0.14 -0.02 -0.05 -0.04 0.93 0.97 2vh4A1 ILE 261 HD13 0.07 0.04 -0.06 -0.04 0.88 0.88 2vh4A1 GLY 262 H -0.12 0.56 0.38 -0.55 8.43 8.69 2vh4A1 GLY 262 HA2 0.03 0.03 0.43 -0.51 4.01 3.99 2vh4A1 GLY 262 HA3 -0.10 0.13 0.65 -0.51 4.01 4.18 2vh4A1 PHE 263 H -0.26 0.52 0.41 -0.55 8.34 8.47 2vh4A1 PHE 263 HA 0.06 0.15 0.71 -0.75 4.62 4.79 2vh4A1 PHE 263 HB2 0.09 0.07 0.19 -0.04 3.15 3.46 2vh4A1 PHE 263 HB3 0.14 0.03 -0.02 -0.04 3.06 3.16 2vh4A1 PHE 263 HD2 0.11 0.01 -0.31 -0.04 7.28 7.05 2vh4A1 PHE 263 HE2 0.17 0.04 -0.15 -0.04 7.38 7.40 2vh4A1 PHE 263 HZ 0.23 0.02 -0.23 -0.04 7.32 7.30 2vh4A1 VAL 264 H 0.25 0.45 0.26 -0.55 8.24 8.65 2vh4A1 VAL 264 HA 0.08 0.31 1.07 -0.75 4.13 4.84 2vh4A1 VAL 264 HB 0.09 -0.03 0.07 -0.04 2.12 2.22 2vh4A1 VAL 264 HG13 0.09 -0.00 -0.21 -0.04 0.97 0.81 2vh4A1 VAL 264 HG23 -0.01 0.00 -0.21 -0.04 0.95 0.69 2vh4A1 LYS 265 H 0.27 0.71 0.31 -0.55 8.42 9.15 2vh4A1 LYS 265 HA 0.11 0.19 1.03 -0.75 4.32 4.89 2vh4A1 LYS 265 HB2 0.22 -0.01 -0.06 -0.04 1.87 1.98 2vh4A1 LYS 265 HB3 0.11 -0.02 0.12 -0.04 1.79 1.96 2vh4A1 LYS 265 HG2 -0.26 0.03 -0.19 -0.04 1.46 1.00 2vh4A1 LYS 265 HG3 -0.21 0.02 0.07 -0.04 1.46 1.30 2vh4A1 LYS 265 HD2 -0.47 -0.02 -0.08 -0.04 1.69 1.08 2vh4A1 LYS 265 HD3 -1.48 -0.03 -0.08 -0.04 1.68 0.05 2vh4A1 LYS 265 HE2 -1.54 -0.00 -0.07 -0.04 2.99 1.33 2vh4A1 LYS 265 HE3 -1.45 -0.07 -0.04 -0.04 2.99 1.39 2vh4A1 PRO 266 HA 0.15 0.08 0.65 -0.51 4.44 4.80 2vh4A1 PRO 266 HB2 0.11 0.13 0.03 -0.04 2.28 2.51 2vh4A1 PRO 266 HB3 0.10 0.04 0.06 -0.04 2.02 2.18 2vh4A1 PRO 266 HG2 0.06 -0.05 0.11 -0.04 2.03 2.11 2vh4A1 PRO 266 HG3 0.05 0.06 0.08 -0.04 2.03 2.18 2vh4A1 PRO 266 HD2 0.02 0.07 0.27 -0.04 3.68 3.99 2vh4A1 PRO 266 HD3 0.07 0.20 0.23 -0.04 3.65 4.11 2vh4A1 TYR 267 H 0.31 0.64 0.43 -0.55 8.29 9.12 2vh4A1 TYR 267 HA 0.27 0.02 0.94 -0.75 4.56 5.03 2vh4A1 TYR 267 HB2 0.29 -0.01 0.15 -0.04 3.06 3.44 2vh4A1 TYR 267 HB3 0.11 0.13 0.15 -0.04 2.98 3.34 2vh4A1 TYR 267 HD2 0.04 -0.01 -0.62 -0.04 7.15 6.52 2vh4A1 TYR 267 HE2 -0.56 0.02 -0.35 -0.04 6.85 5.92 2vh4A1 ALA 268 H 0.23 0.77 0.12 -0.55 8.40 8.98 2vh4A1 ALA 268 HA 0.10 -0.01 0.43 -0.75 4.34 4.10 2vh4A1 ALA 268 HB3 0.08 0.05 0.05 -0.04 1.41 1.55 2vh4A1 LYS 269 H 0.03 0.13 0.15 -0.55 8.42 8.17 2vh4A1 LYS 269 HA -0.05 0.01 0.35 -0.75 4.32 3.87 2vh4A1 LYS 269 HB2 0.10 0.12 0.12 -0.04 1.87 2.17 2vh4A1 LYS 269 HB3 0.00 -0.01 0.11 -0.04 1.79 1.85 2vh4A1 LYS 269 HG2 0.06 -0.10 -0.47 -0.04 1.46 0.91 2vh4A1 LYS 269 HG3 0.11 0.11 -0.14 -0.04 1.46 1.50 2vh4A1 LYS 269 HD2 0.06 -0.01 0.01 -0.04 1.69 1.71 2vh4A1 LYS 269 HD3 0.03 -0.04 0.04 -0.04 1.68 1.66 2vh4A1 LYS 269 HE2 0.03 -0.04 -0.01 -0.04 2.99 2.93 2vh4A1 LYS 269 HE3 0.04 -0.02 -0.06 -0.04 2.99 2.91 2vh4A1 ASN 270 H 0.03 0.36 -0.72 -0.55 8.53 7.65 2vh4A1 ASN 270 HA 0.04 0.14 0.28 -0.75 4.76 4.47 2vh4A1 ASN 270 HB2 -0.08 -0.04 -0.38 -0.04 2.88 2.33 2vh4A1 ASN 270 HB3 -0.07 0.02 0.20 -0.04 2.79 2.90 2vh4A1 ASN 270 HD21 0.05 -0.03 -0.02 -0.04 7.03 6.99 2vh4A1 ASN 270 HD22 0.04 0.01 -0.03 -0.04 7.74 7.72 2vh4A1 HIS 271 H 0.00 0.15 -0.12 -0.55 8.41 7.89 2vh4A1 HIS 271 HA -0.14 0.17 0.89 -0.75 4.63 4.80 2vh4A1 HIS 271 HB2 -0.21 0.03 0.02 -0.04 3.26 3.07 2vh4A1 HIS 271 HB3 -0.54 -0.02 0.09 -0.04 3.20 2.68 2vh4A1 HIS 271 HD2 0.07 0.03 -0.08 -0.04 6.97 6.94 2vh4A1 HIS 271 HE1 -0.01 -0.04 -0.01 -0.04 7.75 7.66 2vh4A1 TYR 272 H 0.32 0.13 0.13 -0.55 8.29 8.32 2vh4A1 TYR 272 HA 0.27 0.27 1.13 -0.75 4.56 5.47 2vh4A1 TYR 272 HB2 0.48 -0.04 0.01 -0.04 3.06 3.46 2vh4A1 TYR 272 HB3 0.36 0.06 0.04 -0.04 2.98 3.39 2vh4A1 TYR 272 HD2 0.22 0.00 -0.15 -0.04 7.15 7.18 2vh4A1 TYR 272 HE2 0.10 0.08 -0.10 -0.04 6.85 6.89 2vh4A1 SER 273 H 0.41 0.52 0.31 -0.55 8.46 9.16 2vh4A1 SER 273 HA 0.27 0.10 0.89 -0.75 4.49 5.00 2vh4A1 SER 273 HB2 0.18 -0.01 -0.11 -0.04 3.95 3.97 2vh4A1 SER 273 HB3 0.18 0.03 -0.13 -0.04 3.93 3.96 2vh4A1 PHE 274 H 0.30 0.74 0.31 -0.55 8.34 9.13 2vh4A1 PHE 274 HA 0.30 0.22 1.04 -0.75 4.62 5.42 2vh4A1 PHE 274 HB2 0.36 -0.03 -0.00 -0.04 3.15 3.44 2vh4A1 PHE 274 HB3 0.36 -0.00 0.18 -0.04 3.06 3.56 2vh4A1 PHE 274 HD2 0.25 -0.07 -0.21 -0.04 7.28 7.21 2vh4A1 PHE 274 HE2 0.12 -0.03 -0.16 -0.04 7.38 7.27 2vh4A1 PHE 274 HZ 0.25 0.01 -0.11 -0.04 7.32 7.43 2vh4A1 VAL 275 H -0.23 0.88 0.38 -0.55 8.24 8.72 2vh4A1 VAL 275 HA -0.11 0.22 1.02 -0.75 4.13 4.50 2vh4A1 VAL 275 HB -0.08 -0.05 0.11 -0.04 2.12 2.06 2vh4A1 VAL 275 HG13 -0.21 0.01 -0.23 -0.04 0.97 0.49 2vh4A1 VAL 275 HG23 -0.06 -0.00 -0.17 -0.04 0.95 0.68 2vh4A1 ALA 276 H -0.37 0.65 0.37 -0.55 8.40 8.50 2vh4A1 ALA 276 HA -0.23 0.28 1.10 -0.75 4.34 4.74 2vh4A1 ALA 276 HB3 -0.39 -0.01 0.03 -0.04 1.41 1.00 2vh4A1 ILE 277 H -0.44 0.89 0.35 -0.55 8.25 8.50 2vh4A1 ILE 277 HA -0.19 0.21 1.13 -0.75 4.18 4.58 2vh4A1 ILE 277 HB -0.11 -0.02 0.01 -0.04 1.89 1.73 2vh4A1 ILE 277 HG12 -0.12 0.02 -0.24 -0.04 1.49 1.10 2vh4A1 ILE 277 HG13 -0.16 -0.09 -0.62 -0.04 1.21 0.30 2vh4A1 ILE 277 HG23 -0.03 -0.01 -0.26 -0.04 0.93 0.60 2vh4A1 ILE 277 HD13 -0.02 -0.01 -0.21 -0.04 0.88 0.61 2vh4A1 LEU 278 H -0.14 0.99 0.37 -0.55 8.37 9.05 2vh4A1 LEU 278 HA -0.17 0.18 0.94 -0.75 4.35 4.54 2vh4A1 LEU 278 HB2 -0.03 -0.01 0.04 -0.04 1.64 1.59 2vh4A1 LEU 278 HB3 -0.03 -0.10 0.18 -0.04 1.64 1.65 2vh4A1 LEU 278 HG 0.02 0.05 -0.01 -0.04 1.64 1.66 2vh4A1 LEU 278 HD13 0.14 0.01 0.00 -0.04 0.93 1.04 2vh4A1 LEU 278 HD23 0.10 -0.02 -0.03 -0.04 0.89 0.91 2vh4A1 PRO 279 HA -0.47 0.08 0.75 -0.51 4.44 4.29 2vh4A1 PRO 279 HB2 -0.62 0.08 0.02 -0.04 2.28 1.72 2vh4A1 PRO 279 HB3 -1.81 -0.03 0.09 -0.04 2.02 0.24 2vh4A1 PRO 279 HG2 -0.20 -0.02 0.08 -0.04 2.03 1.85 2vh4A1 PRO 279 HG3 -0.28 0.04 0.11 -0.04 2.03 1.87 2vh4A1 PRO 279 HD2 -0.14 0.12 0.35 -0.04 3.68 3.96 2vh4A1 PRO 279 HD3 -0.22 0.14 0.08 -0.04 3.65 3.60 2vh4A1 ASP 280 H -0.18 0.53 0.23 -0.55 8.40 8.43 2vh4A1 ASP 280 HA -0.05 0.05 0.35 -0.75 4.63 4.22 2vh4A1 ASP 280 HB2 -0.01 0.11 0.06 -0.04 2.71 2.83 2vh4A1 ASP 280 HB3 -0.01 -0.23 -0.06 -0.04 2.70 2.36 2vh4A1 GLU 281 H -0.02 0.10 0.17 -0.55 8.60 8.31 2vh4A1 GLU 281 HA -0.02 0.23 0.81 -0.75 4.29 4.57 2vh4A1 ASN 282 H -0.00 0.02 -0.01 -0.55 8.53 7.99 2vh4A1 ASN 282 HA 0.01 0.13 0.45 -0.75 4.76 4.59 2vh4A1 ASN 282 HB2 0.01 0.02 0.17 -0.04 2.88 3.03 2vh4A1 ASN 282 HB3 0.01 -0.01 0.09 -0.04 2.79 2.83 2vh4A1 ASN 282 HD21 0.01 0.08 0.01 -0.04 7.03 7.09 2vh4A1 ASN 282 HD22 0.00 -0.03 0.05 -0.04 7.74 7.73 2vh4A1 ILE 283 H 0.01 0.25 -0.89 -0.55 8.25 7.07 2vh4A1 ILE 283 HA 0.02 0.10 0.54 -0.75 4.18 4.09 2vh4A1 SER 284 H 0.03 0.08 0.09 -0.55 8.46 8.12 2vh4A1 SER 284 HA 0.02 0.19 0.60 -0.75 4.49 4.55 2vh4A1 VAL 285 H 0.02 0.20 0.15 -0.55 8.24 8.06 2vh4A1 VAL 285 HA 0.06 0.16 0.43 -0.75 4.13 4.03 2vh4A1 VAL 285 HB 0.02 0.01 -0.12 -0.04 2.12 1.99 2vh4A1 VAL 285 HG13 0.02 0.07 -0.29 -0.04 0.97 0.74 2vh4A1 VAL 285 HG23 0.01 -0.00 -0.10 -0.04 0.95 0.81 2vh4A1 ASN 286 H 0.02 0.08 -0.06 -0.55 8.53 8.03 2vh4A1 ASN 286 HA 0.00 0.18 0.50 -0.75 4.76 4.69 2vh4A1 GLU 287 H 0.03 -0.04 -0.50 -0.55 8.60 7.56 2vh4A1 GLU 287 HA 0.01 0.11 0.45 -0.75 4.29 4.10 2vh4A1 TYR 288 H 0.15 0.46 -0.18 -0.55 8.29 8.17 2vh4A1 TYR 288 HA 0.00 0.01 0.35 -0.75 4.56 4.17 2vh4A1 TYR 288 HB2 0.00 0.03 0.05 -0.04 3.06 3.10 2vh4A1 TYR 288 HB3 0.00 0.10 0.09 -0.04 2.98 3.13 2vh4A1 TYR 288 HD2 0.01 0.01 -0.09 -0.04 7.15 7.04 2vh4A1 TYR 288 HE2 0.02 -0.07 -0.19 -0.04 6.85 6.57 2vh4A1 ILE 289 H 0.08 0.38 -0.20 -0.55 8.25 7.96 2vh4A1 ILE 289 HA -0.06 0.02 0.37 -0.75 4.18 3.76 2vh4A1 LYS 290 H -0.04 0.27 -0.36 -0.55 8.42 7.73 2vh4A1 LYS 290 HA -0.06 0.09 0.43 -0.75 4.32 4.03 2vh4A1 THR 291 H -0.14 0.32 -0.32 -0.55 8.28 7.59 2vh4A1 THR 291 HA -0.07 0.04 0.54 -0.75 4.39 4.14 2vh4A1 THR 291 HB -0.09 -0.13 0.06 -0.04 4.32 4.12 2vh4A1 THR 291 HG23 -0.04 0.07 0.00 -0.04 1.22 1.22 2vh4A1 LEU 292 H -0.18 0.34 -0.48 -0.55 8.37 7.50 2vh4A1 LEU 292 HA -0.12 -0.09 0.32 -0.75 4.35 3.71 2vh4A1 LEU 292 HB2 -0.21 0.17 0.14 -0.04 1.64 1.70 2vh4A1 LEU 292 HB3 -0.05 0.00 -0.03 -0.04 1.64 1.52 2vh4A1 LEU 292 HG -0.23 -0.04 -0.07 -0.04 1.64 1.27 2vh4A1 LEU 292 HD13 0.12 -0.00 -0.06 -0.04 0.93 0.94 2vh4A1 LEU 292 HD23 0.09 -0.05 -0.06 -0.04 0.89 0.83 2vh4A1 THR 293 H -0.00 0.07 0.19 -0.55 8.28 7.99 2vh4A1 THR 293 HA -0.02 0.33 0.84 -0.75 4.39 4.79 2vh4A1 THR 293 HB 0.01 -0.08 0.15 -0.04 4.32 4.36 2vh4A1 THR 293 HG23 -0.02 0.11 -0.20 -0.04 1.22 1.07 2vh4A1 GLY 294 H 0.01 0.23 0.12 -0.55 8.43 8.24 2vh4A1 GLY 294 HA2 -0.01 0.20 0.30 -0.51 4.01 3.99 2vh4A1 GLY 294 HA3 0.02 0.07 -0.04 -0.51 4.01 3.55 2vh4A1 GLN 295 H 0.10 0.13 -0.02 -0.55 8.47 8.14 2vh4A1 GLN 295 HA 0.33 0.12 0.45 -0.75 4.36 4.51 2vh4A1 GLN 295 HB2 0.21 0.04 0.06 -0.04 2.15 2.42 2vh4A1 GLN 295 HB3 0.17 0.03 0.09 -0.04 2.02 2.27 2vh4A1 GLN 295 HG2 0.05 -0.03 0.01 -0.04 2.40 2.39 2vh4A1 GLN 295 HG3 0.06 0.04 -0.25 -0.04 2.39 2.20 2vh4A1 GLN 295 HE21 -0.03 0.02 -0.03 -0.04 6.97 6.89 2vh4A1 GLN 295 HE22 -0.00 0.01 -0.02 -0.04 7.69 7.63 2vh4A1 LYS 296 H 0.07 0.06 -0.28 -0.55 8.42 7.71 2vh4A1 LYS 296 HA 0.05 0.07 0.41 -0.75 4.32 4.09 2vh4A1 LYS 296 HB2 0.04 -0.06 0.09 -0.04 1.87 1.90 2vh4A1 LYS 296 HB3 0.02 0.05 -0.06 -0.04 1.79 1.76 2vh4A1 LYS 296 HG2 0.01 0.01 0.01 -0.04 1.46 1.45 2vh4A1 LYS 296 HG3 0.02 -0.06 0.00 -0.04 1.46 1.38 2vh4A1 LYS 296 HD2 -0.01 0.01 0.04 -0.04 1.69 1.69 2vh4A1 LYS 296 HD3 -0.02 0.03 0.03 -0.04 1.68 1.68 2vh4A1 LYS 296 HE2 -0.01 -0.07 0.00 -0.04 2.99 2.88 2vh4A1 LYS 296 HE3 -0.02 0.16 0.04 -0.04 2.99 3.12 2vh4A1 PHE 297 H 0.17 0.42 -0.27 -0.55 8.34 8.11 2vh4A1 PHE 297 HA -0.04 0.01 0.36 -0.75 4.62 4.20 2vh4A1 PHE 297 HB2 -0.05 0.04 0.08 -0.04 3.15 3.17 2vh4A1 PHE 297 HB3 -0.06 0.13 0.11 -0.04 3.06 3.20 2vh4A1 PHE 297 HD2 -0.08 0.01 -0.20 -0.04 7.28 6.97 2vh4A1 PHE 297 HE2 -0.11 0.10 -0.12 -0.04 7.38 7.20 2vh4A1 PHE 297 HZ -0.12 -0.04 -0.12 -0.04 7.32 6.99 2vh4A1 ILE 298 H 0.13 0.38 -0.18 -0.55 8.25 8.02 2vh4A1 ILE 298 HA -0.02 0.12 0.44 -0.75 4.18 3.96 2vh4A1 ILE 298 HB -0.04 0.02 0.14 -0.04 1.89 1.98 2vh4A1 ILE 298 HG12 -0.04 0.19 0.03 -0.04 1.49 1.64 2vh4A1 ILE 298 HG13 -0.52 -0.10 -0.11 -0.04 1.21 0.44 2vh4A1 ILE 298 HG23 -0.31 0.00 -0.12 -0.04 0.93 0.47 2vh4A1 ILE 298 HD13 -0.03 0.07 -0.18 -0.04 0.88 0.69 2vh4A1 ASP 299 H 0.06 0.51 -0.17 -0.55 8.40 8.25 2vh4A1 ASP 299 HA 0.03 0.03 0.26 -0.75 4.63 4.21 2vh4A1 ASP 299 HB2 0.04 0.04 0.11 -0.04 2.71 2.87 2vh4A1 ASP 299 HB3 0.03 -0.03 -0.02 -0.04 2.70 2.64 2vh4A1 LEU 300 H -0.07 0.60 -0.16 -0.55 8.37 8.20 2vh4A1 LEU 300 HA -0.06 0.03 0.28 -0.75 4.35 3.84 2vh4A1 LEU 300 HB2 -0.10 -0.09 -0.08 -0.04 1.64 1.33 2vh4A1 LEU 300 HB3 -0.06 0.01 0.02 -0.04 1.64 1.57 2vh4A1 LEU 300 HG -0.28 0.18 0.03 -0.04 1.64 1.53 2vh4A1 LEU 300 HD13 -0.25 -0.01 -0.32 -0.04 0.93 0.31 2vh4A1 LEU 300 HD23 -0.05 -0.02 -0.22 -0.04 0.89 0.56 2vh4A1 ILE 301 H -0.20 0.35 -0.35 -0.55 8.25 7.49 2vh4A1 ILE 301 HA -0.12 0.02 0.49 -0.75 4.18 3.82 2vh4A1 ILE 301 HB -0.17 0.18 0.06 -0.04 1.89 1.93 2vh4A1 ILE 301 HG12 -0.24 -0.08 -0.09 -0.04 1.49 1.04 2vh4A1 ILE 301 HG13 -0.42 -0.08 -0.10 -0.04 1.21 0.57 2vh4A1 ILE 301 HG23 -0.05 -0.02 -0.20 -0.04 0.93 0.62 2vh4A1 ILE 301 HD13 -0.61 0.04 -0.05 -0.04 0.88 0.22 2vh4A1 LYS 302 H -0.05 0.37 -0.14 -0.55 8.42 8.04 2vh4A1 LYS 302 HA -0.00 0.03 0.39 -0.75 4.32 3.98 2vh4A1 LYS 302 HB2 0.01 0.02 0.17 -0.04 1.87 2.02 2vh4A1 LYS 302 HB3 0.02 -0.05 -0.07 -0.04 1.79 1.65 2vh4A1 ASN 303 H -0.03 0.53 -0.24 -0.55 8.53 8.25 2vh4A1 ASN 303 HA 0.00 0.11 0.56 -0.75 4.76 4.68 2vh4A1 ASN 303 HB2 -0.02 0.01 -0.01 -0.04 2.88 2.81 2vh4A1 ASN 303 HB3 -0.01 -0.07 0.09 -0.04 2.79 2.77 2vh4A1 ASN 303 HD21 0.01 -0.09 -0.06 -0.04 7.03 6.84 2vh4A1 ASN 303 HD22 -0.00 -0.04 -0.13 -0.04 7.74 7.53 2vh4A1 ALA 304 H -0.03 0.25 -0.64 -0.55 8.40 7.43 2vh4A1 ALA 304 HA -0.04 0.05 0.42 -0.75 4.34 4.02 2vh4A1 ALA 304 HB3 -0.01 -0.04 -0.08 -0.04 1.41 1.25 2vh4A1 LYS 305 H 0.04 0.31 0.31 -0.55 8.42 8.53 2vh4A1 LYS 305 HA 0.04 0.12 0.65 -0.75 4.32 4.37 2vh4A1 LYS 305 HB2 0.07 -0.02 -0.02 -0.04 1.87 1.86 2vh4A1 LYS 305 HB3 0.06 0.05 0.11 -0.04 1.79 1.96 2vh4A1 LYS 305 HG2 0.16 0.14 0.19 -0.04 1.46 1.90 2vh4A1 LYS 305 HG3 0.22 -0.07 -0.02 -0.04 1.46 1.54 2vh4A1 ILE 306 H 0.04 0.12 0.16 -0.55 8.25 8.02 2vh4A1 ILE 306 HA 0.04 0.37 0.78 -0.75 4.18 4.63 2vh4A1 ILE 306 HB 0.02 -0.07 0.25 -0.04 1.89 2.05 2vh4A1 ILE 306 HG12 0.03 0.05 0.05 -0.04 1.49 1.58 2vh4A1 ILE 306 HG13 0.03 0.05 0.10 -0.04 1.21 1.35 2vh4A1 ILE 306 HG23 0.02 -0.01 0.01 -0.04 0.93 0.90 2vh4A1 ILE 306 HD13 0.02 -0.02 0.05 -0.04 0.88 0.89 2vh4A1 THR 307 H 0.06 0.52 0.18 -0.55 8.28 8.49 2vh4A1 THR 307 HA 0.00 0.02 0.51 -0.75 4.39 4.17 2vh4A1 THR 307 HB 0.03 0.04 -0.30 -0.04 4.32 4.05 2vh4A1 THR 307 HG23 0.03 0.03 -0.21 -0.04 1.22 1.03 2vh4A1 LEU 308 H -0.03 0.07 0.13 -0.55 8.37 7.99 2vh4A1 LEU 308 HA -0.04 0.25 0.54 -0.75 4.35 4.34 2vh4A1 LEU 308 HB2 -0.04 -0.04 0.16 -0.04 1.64 1.68 2vh4A1 LEU 308 HB3 -0.06 -0.02 0.04 -0.04 1.64 1.55 2vh4A1 LEU 308 HG -0.06 -0.01 -0.02 -0.04 1.64 1.51 2vh4A1 LEU 308 HD13 -0.04 0.02 -0.06 -0.04 0.93 0.81 2vh4A1 LEU 308 HD23 -0.04 -0.01 -0.02 -0.04 0.89 0.78 2vh4A1 VAL 309 H -0.07 0.57 0.36 -0.55 8.24 8.56 2vh4A1 VAL 309 HA -0.13 0.08 0.80 -0.75 4.13 4.13 2vh4A1 VAL 309 HB -0.11 0.08 -0.20 -0.04 2.12 1.85 2vh4A1 VAL 309 HG13 0.04 0.04 -0.12 -0.04 0.97 0.88 2vh4A1 VAL 309 HG23 0.01 -0.00 -0.19 -0.04 0.95 0.73 2vh4A1 ARG 310 H -0.10 0.16 0.10 -0.55 8.46 8.07 2vh4A1 ARG 310 HA -0.11 0.18 0.83 -0.75 4.34 4.49 2vh4A1 ALA 311 H -0.21 0.68 0.39 -0.55 8.40 8.70 2vh4A1 ALA 311 HA -0.21 0.11 0.65 -0.75 4.34 4.14 2vh4A1 ALA 311 HB3 -1.12 0.00 -0.06 -0.04 1.41 0.19 2vh4A1 SER 312 H 0.08 0.19 0.12 -0.55 8.46 8.30 2vh4A1 SER 312 HA 0.05 0.30 0.88 -0.75 4.49 4.96 2vh4A1 SER 312 HB2 0.08 -0.01 0.09 -0.04 3.95 4.07 2vh4A1 SER 312 HB3 0.03 -0.03 -0.09 -0.04 3.93 3.80 2vh4A1 LEU 313 H 0.06 0.73 0.20 -0.55 8.37 8.82 2vh4A1 LEU 313 HA 0.26 0.22 0.92 -0.75 4.35 4.99 2vh4A1 LEU 313 HB2 0.36 -0.03 -0.13 -0.04 1.64 1.80 2vh4A1 LEU 313 HB3 -0.04 0.02 0.07 -0.04 1.64 1.65 2vh4A1 LEU 313 HG -0.15 0.02 -0.28 -0.04 1.64 1.18 2vh4A1 LEU 313 HD13 0.09 0.01 -0.07 -0.04 0.93 0.92 2vh4A1 LEU 313 HD23 -0.28 -0.02 -0.12 -0.04 0.89 0.43 2vh4A1 PRO 314 HA -0.40 0.14 0.60 -0.51 4.44 4.27 2vh4A1 PRO 314 HB2 -0.10 0.05 -0.12 -0.04 2.28 2.07 2vh4A1 PRO 314 HB3 -0.39 -0.02 0.03 -0.04 2.02 1.59 2vh4A1 PRO 314 HG2 -0.20 0.02 0.02 -0.04 2.03 1.82 2vh4A1 PRO 314 HG3 -0.72 0.02 -0.01 -0.04 2.03 1.29 2vh4A1 PRO 314 HD2 -0.28 0.11 0.22 -0.04 3.68 3.69 2vh4A1 PRO 314 HD3 -0.07 0.16 0.06 -0.04 3.65 3.76 2vh4A1 LYS 315 H -0.25 0.61 0.38 -0.55 8.42 8.61 2vh4A1 LYS 315 HA -0.26 0.23 0.75 -0.75 4.32 4.28 2vh4A1 LYS 315 HB2 -0.17 -0.01 0.10 -0.04 1.87 1.74 2vh4A1 LYS 315 HB3 -0.14 -0.13 0.25 -0.04 1.79 1.73 2vh4A1 LYS 315 HG2 -0.10 -0.05 -0.05 -0.04 1.46 1.22 2vh4A1 LYS 315 HG3 -0.15 0.24 0.30 -0.04 1.46 1.81 2vh4A1 LYS 315 HD2 -0.10 -0.04 0.01 -0.04 1.69 1.53 2vh4A1 LYS 315 HD3 -0.08 -0.04 0.02 -0.04 1.68 1.53 2vh4A1 LYS 315 HE2 -0.05 0.02 -0.02 -0.04 2.99 2.91 2vh4A1 LYS 315 HE3 -0.06 -0.07 0.04 -0.04 2.99 2.86 2vh4A1 PHE 316 H -0.51 0.43 0.34 -0.55 8.34 8.05 2vh4A1 PHE 316 HA -0.03 0.08 0.63 -0.75 4.62 4.54 2vh4A1 PHE 316 HB2 0.17 -0.04 0.01 -0.04 3.15 3.24 2vh4A1 PHE 316 HB3 -0.02 0.08 -0.12 -0.04 3.06 2.96 2vh4A1 PHE 316 HD2 -0.13 0.01 -0.38 -0.04 7.28 6.74 2vh4A1 PHE 316 HE2 -0.29 0.01 -0.12 -0.04 7.38 6.94 2vh4A1 PHE 316 HZ -1.12 -0.01 -0.13 -0.04 7.32 6.02 2vh4A1 LYS 317 H 0.21 0.25 0.16 -0.55 8.42 8.48 2vh4A1 LYS 317 HA -0.19 0.42 0.96 -0.75 4.32 4.76 2vh4A1 LYS 317 HB2 -0.07 -0.01 0.00 -0.04 1.87 1.75 2vh4A1 LYS 317 HB3 0.03 -0.05 0.12 -0.04 1.79 1.86 2vh4A1 LYS 317 HG2 0.11 -0.02 -0.20 -0.04 1.46 1.30 2vh4A1 LYS 317 HG3 -0.11 0.10 0.07 -0.04 1.46 1.48 2vh4A1 LYS 317 HD2 0.06 -0.03 -0.01 -0.04 1.69 1.67 2vh4A1 LYS 317 HD3 0.07 -0.04 -0.02 -0.04 1.68 1.66 2vh4A1 LYS 317 HE2 0.46 0.05 -0.06 -0.04 2.99 3.39 2vh4A1 LYS 317 HE3 0.15 -0.02 -0.04 -0.04 2.99 3.04 2vh4A1 TYR 318 H -0.41 0.50 0.35 -0.55 8.29 8.18 2vh4A1 TYR 318 HA 0.11 0.08 0.59 -0.75 4.56 4.59 2vh4A1 TYR 318 HB2 0.11 0.08 0.17 -0.04 3.06 3.39 2vh4A1 TYR 318 HB3 0.09 0.06 -0.01 -0.04 2.98 3.07 2vh4A1 TYR 318 HD2 0.14 0.02 -0.42 -0.04 7.15 6.85 2vh4A1 TYR 318 HE2 -0.11 -0.03 -0.33 -0.04 6.85 6.34 2vh4A1 GLU 319 H 0.31 0.15 0.25 -0.55 8.60 8.76 2vh4A1 GLU 319 HA 0.29 0.31 1.05 -0.75 4.29 5.19 2vh4A1 GLU 319 HB2 0.19 -0.07 0.11 -0.04 2.09 2.29 2vh4A1 GLU 319 HB3 0.19 0.04 0.14 -0.04 1.99 2.32 2vh4A1 GLU 319 HG2 0.32 0.13 0.09 -0.04 2.34 2.84 2vh4A1 GLU 319 HG3 0.35 -0.10 -0.11 -0.04 2.34 2.43 2vh4A1 TYR 320 H 0.30 0.62 0.36 -0.55 8.29 9.02 2vh4A1 TYR 320 HA 0.15 0.10 0.82 -0.75 4.56 4.88 2vh4A1 TYR 320 HB2 0.35 0.04 -0.31 -0.04 3.06 3.09 2vh4A1 TYR 320 HB3 0.23 0.02 0.01 -0.04 2.98 3.20 2vh4A1 TYR 320 HD2 0.14 0.17 0.04 -0.04 7.15 7.46 2vh4A1 TYR 320 HE2 0.10 0.00 -0.04 -0.04 6.85 6.87 2vh4A1 THR 321 H -0.39 0.24 0.24 -0.55 8.28 7.82 2vh4A1 THR 321 HA -0.10 0.32 1.11 -0.75 4.39 4.97 2vh4A1 THR 321 HB -0.11 -0.04 0.13 -0.04 4.32 4.26 2vh4A1 THR 321 HG23 -0.04 -0.01 -0.07 -0.04 1.22 1.05 2vh4A1 ILE 322 H -0.05 0.77 0.39 -0.55 8.25 8.81 2vh4A1 ILE 322 HA -0.14 0.10 0.76 -0.75 4.18 4.15 2vh4A1 ILE 322 HB -0.13 0.04 -0.01 -0.04 1.89 1.75 2vh4A1 ILE 322 HG12 0.03 -0.04 -0.36 -0.04 1.49 1.08 2vh4A1 ILE 322 HG13 0.00 -0.02 0.13 -0.04 1.21 1.28 2vh4A1 ILE 322 HG23 0.24 0.01 0.03 -0.04 0.93 1.16 2vh4A1 ILE 322 HD13 0.12 0.02 0.03 -0.04 0.88 1.01 2vh4A1 LYS 323 H -0.03 0.19 0.18 -0.55 8.42 8.20 2vh4A1 LYS 323 HA 0.02 0.16 0.95 -0.75 4.32 4.70 2vh4A1 MET 324 H 0.05 0.83 0.36 -0.55 8.47 9.16 2vh4A1 MET 324 HA -0.00 0.16 0.38 -0.75 4.52 4.31 2vh4A1 MET 324 HB2 0.08 0.10 0.12 -0.04 2.15 2.41 2vh4A1 MET 324 HB3 0.05 -0.04 0.11 -0.04 2.03 2.11 2vh4A1 MET 324 HG2 0.01 0.04 -0.04 -0.04 2.63 2.60 2vh4A1 MET 324 HG3 0.07 0.07 -0.07 -0.04 2.56 2.58 2vh4A1 MET 324 HE3 -0.29 0.01 -0.07 -0.04 2.10 1.70 2vh4A1 ASN 325 H -0.08 0.10 -0.31 -0.55 8.53 7.69 2vh4A1 ASN 325 HA -0.74 0.06 0.32 -0.75 4.76 3.65 2vh4A1 ASN 325 HB2 -0.22 -0.02 0.08 -0.04 2.88 2.69 2vh4A1 ASN 325 HB3 -0.58 0.10 -0.01 -0.04 2.79 2.25 2vh4A1 ASN 325 HD21 0.11 0.48 0.05 -0.04 7.03 7.63 2vh4A1 ASN 325 HD22 -0.04 0.03 0.01 -0.04 7.74 7.70 2vh4A1 GLU 326 H -0.15 0.17 -0.07 -0.55 8.60 8.01 2vh4A1 GLU 326 HA -0.14 0.06 0.32 -0.75 4.29 3.77 2vh4A1 GLU 326 HB2 -0.05 0.05 0.05 -0.04 2.09 2.09 2vh4A1 GLU 326 HB3 -0.04 0.08 -0.05 -0.04 1.99 1.93 2vh4A1 GLU 326 HG2 -0.07 -0.00 -0.03 -0.04 2.34 2.19 2vh4A1 GLU 326 HG3 -0.06 -0.05 -0.05 -0.04 2.34 2.14 2vh4A1 THR 327 H -0.07 0.07 -0.33 -0.55 8.28 7.40 2vh4A1 THR 327 HA -0.04 0.16 0.39 -0.75 4.39 4.15 2vh4A1 THR 327 HB -0.02 -0.00 0.07 -0.04 4.32 4.32 2vh4A1 THR 327 HG23 -0.05 -0.01 -0.22 -0.04 1.22 0.90 2vh4A1 LEU 328 H -0.04 0.48 -0.15 -0.55 8.37 8.12 2vh4A1 LEU 328 HA 0.09 0.10 0.43 -0.75 4.35 4.22 2vh4A1 LEU 328 HB2 0.23 0.09 0.09 -0.04 1.64 2.01 2vh4A1 LEU 328 HB3 0.32 -0.07 0.00 -0.04 1.64 1.85 2vh4A1 LEU 328 HG 0.10 0.06 -0.01 -0.04 1.64 1.74 2vh4A1 LEU 328 HD13 0.26 -0.04 -0.10 -0.04 0.93 1.01 2vh4A1 LEU 328 HD23 0.19 0.00 -0.08 -0.04 0.89 0.97 2vh4A1 GLU 329 H -0.07 0.47 -0.07 -0.55 8.60 8.39 2vh4A1 GLU 329 HA 0.13 0.11 0.30 -0.75 4.29 4.07 2vh4A1 GLU 329 HB2 -0.07 0.12 0.11 -0.04 2.09 2.21 2vh4A1 GLU 329 HB3 0.01 -0.07 -0.05 -0.04 1.99 1.84 2vh4A1 GLU 329 HG2 0.10 -0.07 0.07 -0.04 2.34 2.40 2vh4A1 GLU 329 HG3 -0.27 0.11 0.07 -0.04 2.34 2.21 2vh4A1 SER 330 H -0.00 0.40 -0.42 -0.55 8.46 7.89 2vh4A1 SER 330 HA 0.01 0.03 0.41 -0.75 4.49 4.18 2vh4A1 SER 330 HB2 -0.01 -0.06 0.12 -0.04 3.95 3.95 2vh4A1 SER 330 HB3 -0.02 0.02 0.09 -0.04 3.93 3.98 2vh4A1 LEU 331 H 0.04 0.19 -0.60 -0.55 8.37 7.46 2vh4A1 LEU 331 HA 0.03 0.17 0.80 -0.75 4.35 4.59 2vh4A1 LEU 331 HB2 0.10 0.02 0.08 -0.04 1.64 1.80 2vh4A1 LEU 331 HB3 0.08 0.01 0.16 -0.04 1.64 1.85 2vh4A1 LEU 331 HG 0.01 0.24 -0.02 -0.04 1.64 1.83 2vh4A1 LEU 331 HD13 0.01 -0.02 -0.07 -0.04 0.93 0.81 2vh4A1 LEU 331 HD23 -0.04 0.03 -0.19 -0.04 0.89 0.65 2vh4A1 GLY 332 H 0.05 0.38 -0.38 -0.55 8.43 7.94 2vh4A1 GLY 332 HA2 0.04 -0.00 0.25 -0.51 4.01 3.78 2vh4A1 GLY 332 HA3 0.04 0.15 0.68 -0.51 4.01 4.38 2vh4A1 MET 333 H 0.11 0.48 -0.03 -0.55 8.47 8.48 2vh4A1 MET 333 HA 0.08 0.00 0.67 -0.75 4.52 4.51 2vh4A1 MET 333 HB2 0.12 0.09 -0.08 -0.04 2.15 2.24 2vh4A1 MET 333 HB3 0.24 0.15 -0.00 -0.04 2.03 2.37 2vh4A1 MET 333 HG2 0.07 -0.12 -0.19 -0.04 2.63 2.35 2vh4A1 MET 333 HG3 0.04 -0.04 -0.12 -0.04 2.56 2.40 2vh4A1 MET 333 HE3 -0.15 -0.02 -0.12 -0.04 2.10 1.78 2vh4A1 THR 334 H 0.08 0.18 0.05 -0.55 8.28 8.03 2vh4A1 THR 334 HA 0.24 0.26 0.81 -0.75 4.39 4.94 2vh4A1 THR 334 HB 0.07 0.00 -0.04 -0.04 4.32 4.31 2vh4A1 THR 334 HG23 0.06 0.01 -0.14 -0.04 1.22 1.12 2vh4A1 ASP 335 H 0.03 0.11 0.11 -0.55 8.40 8.10 2vh4A1 ASP 335 HA 0.02 0.12 0.36 -0.75 4.63 4.37 2vh4A1 ASP 335 HB2 -0.05 0.00 0.03 -0.04 2.71 2.65 2vh4A1 ASP 335 HB3 -0.07 0.01 -0.16 -0.04 2.70 2.44 2vh4A1 ALA 336 H -0.06 0.11 -0.29 -0.55 8.40 7.62 2vh4A1 ALA 336 HA -0.02 -0.00 0.30 -0.75 4.34 3.87 2vh4A1 ALA 336 HB3 -0.19 0.03 -0.05 -0.04 1.41 1.16 2vh4A1 PHE 337 H 0.12 0.29 -0.57 -0.55 8.34 7.63 2vh4A1 PHE 337 HA 0.21 0.33 0.68 -0.75 4.62 5.08 2vh4A1 PHE 337 HB2 0.05 0.11 0.04 -0.04 3.15 3.30 2vh4A1 PHE 337 HB3 0.07 -0.00 0.13 -0.04 3.06 3.22 2vh4A1 PHE 337 HD2 0.08 0.19 -0.06 -0.04 7.28 7.44 2vh4A1 PHE 337 HE2 0.06 -0.02 -0.17 -0.04 7.38 7.21 2vh4A1 PHE 337 HZ 0.07 -0.02 -0.12 -0.04 7.32 7.22 2vh4A1 LEU 338 H 0.08 0.42 -0.28 -0.55 8.37 8.04 2vh4A1 LEU 338 HA -0.09 0.27 0.90 -0.75 4.35 4.67 2vh4A1 LEU 338 HB2 0.01 -0.02 0.23 -0.04 1.64 1.82 2vh4A1 LEU 338 HB3 -0.03 -0.10 0.06 -0.04 1.64 1.53 2vh4A1 LEU 338 HG 0.08 0.13 -0.13 -0.04 1.64 1.67 2vh4A1 LEU 338 HD13 0.02 -0.03 -0.08 -0.04 0.93 0.79 2vh4A1 LEU 338 HD23 0.00 0.03 -0.04 -0.04 0.89 0.85 2vh4A1 PRO 339 HA -0.17 0.12 0.19 -0.51 4.44 4.07 2vh4A1 PRO 339 HB2 -0.18 -0.02 -0.07 -0.04 2.28 1.97 2vh4A1 PRO 339 HB3 -0.50 0.15 0.01 -0.04 2.02 1.63 2vh4A1 PRO 339 HG2 -0.26 -0.06 0.09 -0.04 2.03 1.75 2vh4A1 PRO 339 HG3 -0.64 0.32 0.12 -0.04 2.03 1.79 2vh4A1 PRO 339 HD2 -0.28 0.08 0.34 -0.04 3.68 3.77 2vh4A1 PRO 339 HD3 -0.98 0.27 0.05 -0.04 3.65 2.95 2vh4A1 ASP 340 H -0.09 0.05 -0.40 -0.55 8.40 7.41 2vh4A1 ASP 340 HA -0.03 0.16 0.63 -0.75 4.63 4.63 2vh4A1 ASP 340 HB2 -0.04 -0.02 0.04 -0.04 2.71 2.64 2vh4A1 ASP 340 HB3 -0.03 -0.01 -0.03 -0.04 2.70 2.59 2vh4A1 LYS 341 H -0.04 0.52 -0.10 -0.55 8.42 8.25 2vh4A1 LYS 341 HA -0.02 0.15 0.88 -0.75 4.32 4.57 2vh4A1 LYS 341 HB2 -0.02 0.09 0.17 -0.04 1.87 2.08 2vh4A1 LYS 341 HB3 -0.02 -0.13 0.01 -0.04 1.79 1.61 2vh4A1 LYS 341 HG2 -0.02 -0.04 -0.30 -0.04 1.46 1.06 2vh4A1 LYS 341 HG3 -0.01 -0.01 -0.05 -0.04 1.46 1.35 2vh4A1 ALA 342 H -0.00 0.60 0.19 -0.55 8.40 8.63 2vh4A1 ALA 342 HA -0.12 -0.21 0.14 -0.75 4.34 3.40 2vh4A1 ALA 342 HB3 0.12 0.04 0.02 -0.04 1.41 1.55 2vh4A1 ASP 343 H -0.33 0.02 0.13 -0.55 8.40 7.67 2vh4A1 ASP 343 HA -0.08 0.24 0.93 -0.75 4.63 4.96 2vh4A1 ASP 343 HB2 -0.10 0.16 0.09 -0.04 2.71 2.82 2vh4A1 ASP 343 HB3 -0.17 -0.03 0.34 -0.04 2.70 2.80 2vh4A1 PHE 344 H 0.06 0.33 -0.01 -0.55 8.34 8.17 2vh4A1 PHE 344 HA -0.08 0.29 0.91 -0.75 4.62 4.98 2vh4A1 PHE 344 HB2 -0.07 0.12 -0.04 -0.04 3.15 3.12 2vh4A1 PHE 344 HB3 -0.13 -0.03 0.12 -0.04 3.06 2.98 2vh4A1 PHE 344 HD2 -0.09 0.15 -0.28 -0.04 7.28 7.01 2vh4A1 PHE 344 HE2 -0.10 0.09 -0.09 -0.04 7.38 7.23 2vh4A1 PHE 344 HZ -0.16 -0.02 -0.11 -0.04 7.32 6.99 2vh4A1 SER 345 H -0.02 0.08 -0.18 -0.55 8.46 7.79 2vh4A1 SER 345 HA 0.03 0.19 0.40 -0.75 4.49 4.36 2vh4A1 SER 345 HB2 -0.00 0.04 0.12 -0.04 3.95 4.07 2vh4A1 SER 345 HB3 0.00 -0.00 0.12 -0.04 3.93 4.00 2vh4A1 LYS 346 H -0.01 0.36 -0.37 -0.55 8.42 7.84 2vh4A1 LYS 346 HA -0.00 0.09 0.66 -0.75 4.32 4.31 2vh4A1 LYS 346 HB2 -0.00 0.12 -0.35 -0.04 1.87 1.60 2vh4A1 LYS 346 HB3 0.04 0.10 0.06 -0.04 1.79 1.95 2vh4A1 LYS 346 HG2 0.02 -0.04 -0.04 -0.04 1.46 1.35 2vh4A1 LYS 346 HG3 -0.00 -0.13 -0.20 -0.04 1.46 1.08 2vh4A1 LYS 346 HD2 0.01 0.29 -0.18 -0.04 1.69 1.77 2vh4A1 LYS 346 HD3 0.05 0.06 -0.05 -0.04 1.68 1.70 2vh4A1 LYS 346 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.92 2vh4A1 LYS 346 HE3 -0.00 -0.09 -0.04 -0.04 2.99 2.82 2vh4A1 LEU 347 H -0.07 0.45 -0.11 -0.55 8.37 8.09 2vh4A1 LEU 347 HA -0.76 0.05 0.61 -0.75 4.35 3.50 2vh4A1 LEU 347 HB2 -0.02 0.15 0.08 -0.04 1.64 1.81 2vh4A1 LEU 347 HB3 -0.15 -0.07 -0.03 -0.04 1.64 1.35 2vh4A1 LEU 347 HG -0.14 0.05 0.05 -0.04 1.64 1.56 2vh4A1 LEU 347 HD13 -0.37 -0.01 -0.07 -0.04 0.93 0.44 2vh4A1 LEU 347 HD23 -0.89 -0.00 -0.04 -0.04 0.89 -0.08 2vh4A1 GLY 348 H 0.01 0.28 -0.17 -0.55 8.43 8.01 2vh4A1 GLY 348 HA2 -0.10 -0.01 0.23 -0.51 4.01 3.61 2vh4A1 GLY 348 HA3 -0.28 0.16 0.68 -0.51 4.01 4.06 2vh4A1 LYS 349 H -0.32 0.59 0.25 -0.55 8.42 8.37 2vh4A1 LYS 349 HA -0.03 0.09 0.74 -0.75 4.32 4.37 2vh4A1 LYS 349 HB2 -0.09 -0.02 0.07 -0.04 1.87 1.79 2vh4A1 LYS 349 HB3 -0.15 0.00 0.16 -0.04 1.79 1.76 2vh4A1 LYS 349 HG2 -0.04 0.06 -0.30 -0.04 1.46 1.14 2vh4A1 LYS 349 HG3 -0.03 -0.00 0.02 -0.04 1.46 1.41 2vh4A1 SER 350 H 0.05 0.19 0.25 -0.55 8.46 8.40 2vh4A1 SER 350 HA 0.15 0.27 1.04 -0.75 4.49 5.19 2vh4A1 SER 350 HB2 0.18 0.02 -0.01 -0.04 3.95 4.11 2vh4A1 SER 350 HB3 0.08 0.06 0.17 -0.04 3.93 4.20 2vh4A1 ASP 351 H 0.06 0.45 0.26 -0.55 8.40 8.62 2vh4A1 ASP 351 HA 0.02 0.18 0.87 -0.75 4.63 4.95 2vh4A1 ILE 352 H 0.04 0.03 0.01 -0.55 8.25 7.79 2vh4A1 ILE 352 HA 0.02 0.22 0.84 -0.75 4.18 4.52 2vh4A1 GLY 353 H 0.04 0.06 -0.03 -0.55 8.43 7.95 2vh4A1 GLY 353 HA2 0.03 0.01 0.23 -0.51 4.01 3.77 2vh4A1 GLY 353 HA3 0.04 0.28 0.76 -0.51 4.01 4.58 2vh4A1 ASN 354 H 0.06 0.15 0.16 -0.55 8.53 8.35 2vh4A1 ASN 354 HA 0.06 -0.04 0.62 -0.75 4.76 4.65 2vh4A1 ASN 354 HB2 0.04 -0.09 0.16 -0.04 2.88 2.94 2vh4A1 ASN 354 HB3 0.07 0.14 0.19 -0.04 2.79 3.15 2vh4A1 ASN 354 HD21 0.05 0.35 -0.08 -0.04 7.03 7.30 2vh4A1 ASN 354 HD22 0.07 0.26 -0.06 -0.04 7.74 7.96 2vh4A1 LEU 355 H 0.09 0.02 0.18 -0.55 8.37 8.11 2vh4A1 LEU 355 HA 0.00 0.33 0.54 -0.75 4.35 4.47 2vh4A1 LEU 355 HB2 0.07 -0.10 0.03 -0.04 1.64 1.60 2vh4A1 LEU 355 HB3 -0.13 -0.04 -0.08 -0.04 1.64 1.36 2vh4A1 LEU 355 HG 0.04 0.04 0.02 -0.04 1.64 1.70 2vh4A1 LEU 355 HD13 0.02 0.00 -0.16 -0.04 0.93 0.75 2vh4A1 LEU 355 HD23 -0.10 -0.01 -0.26 -0.04 0.89 0.47 2vh4A1 TYR 356 H -0.22 0.50 0.33 -0.55 8.29 8.35 2vh4A1 TYR 356 HA 0.22 0.03 0.58 -0.75 4.56 4.64 2vh4A1 TYR 356 HB2 0.08 0.09 -0.16 -0.04 3.06 3.02 2vh4A1 TYR 356 HB3 0.07 0.05 -0.44 -0.04 2.98 2.61 2vh4A1 TYR 356 HD2 0.04 0.25 -0.33 -0.04 7.15 7.07 2vh4A1 TYR 356 HE2 0.03 -0.04 -0.36 -0.04 6.85 6.44 2vh4A1 ILE 357 H 0.13 0.61 0.21 -0.55 8.25 8.64 2vh4A1 ILE 357 HA -0.25 0.25 0.82 -0.75 4.18 4.25 2vh4A1 ILE 357 HB -0.32 0.01 -0.07 -0.04 1.89 1.47 2vh4A1 ILE 357 HG12 -0.42 -0.00 -0.16 -0.04 1.49 0.87 2vh4A1 ILE 357 HG13 -0.22 0.01 -0.03 -0.04 1.21 0.93 2vh4A1 ILE 357 HG23 0.04 -0.04 -0.26 -0.04 0.93 0.63 2vh4A1 ILE 357 HD13 -0.20 -0.02 -0.13 -0.04 0.88 0.49 2vh4A1 SER 358 H -0.21 0.49 0.34 -0.55 8.46 8.54 2vh4A1 SER 358 HA 0.29 0.19 0.70 -0.75 4.49 4.92 2vh4A1 SER 358 HB2 0.04 -0.04 -0.00 -0.04 3.95 3.90 2vh4A1 SER 358 HB3 -0.19 0.06 0.00 -0.04 3.93 3.75 2vh4A1 GLU 359 H 0.03 0.19 0.20 -0.55 8.60 8.48 2vh4A1 GLU 359 HA 0.17 0.08 0.20 -0.75 4.29 4.00 2vh4A1 GLU 359 HB2 0.05 -0.06 0.09 -0.04 2.09 2.14 2vh4A1 GLU 359 HB3 0.05 0.18 -0.04 -0.04 1.99 2.15 2vh4A1 GLU 359 HG2 0.05 -0.05 -0.05 -0.04 2.34 2.24 2vh4A1 GLU 359 HG3 0.07 -0.02 -0.22 -0.04 2.34 2.13 2vh4A1 VAL 360 H 0.16 0.13 0.07 -0.55 8.24 8.05 2vh4A1 VAL 360 HA 0.13 0.34 0.93 -0.75 4.13 4.76 2vh4A1 VAL 360 HB 0.17 -0.15 0.12 -0.04 2.12 2.22 2vh4A1 VAL 360 HG13 0.14 0.03 -0.13 -0.04 0.97 0.97 2vh4A1 VAL 360 HG23 0.31 0.01 -0.12 -0.04 0.95 1.11 2vh4A1 LEU 361 H 0.10 0.59 0.19 -0.55 8.37 8.71 2vh4A1 LEU 361 HA 0.08 0.12 1.00 -0.75 4.35 4.79 2vh4A1 LEU 361 HB2 0.05 -0.05 0.07 -0.04 1.64 1.68 2vh4A1 LEU 361 HB3 0.06 -0.04 0.14 -0.04 1.64 1.77 2vh4A1 LEU 361 HG 0.04 0.03 -0.16 -0.04 1.64 1.50 2vh4A1 LEU 361 HD13 0.01 0.01 -0.02 -0.04 0.93 0.89 2vh4A1 LEU 361 HD23 -0.00 -0.01 0.00 -0.04 0.89 0.85 2vh4A1 HIS 362 H 0.14 0.49 0.35 -0.55 8.41 8.84 2vh4A1 HIS 362 HA 0.09 0.38 1.17 -0.75 4.63 5.52 2vh4A1 HIS 362 HB2 0.09 -0.05 -0.04 -0.04 3.26 3.22 2vh4A1 HIS 362 HB3 0.09 -0.00 0.26 -0.04 3.20 3.50 2vh4A1 HIS 362 HD2 0.21 0.07 -0.00 -0.04 6.97 7.20 2vh4A1 HIS 362 HE1 0.07 0.01 -0.02 -0.04 7.75 7.76 2vh4A1 LYS 363 H -0.09 0.59 0.40 -0.55 8.42 8.76 2vh4A1 LYS 363 HA 0.01 0.32 1.27 -0.75 4.32 5.17 2vh4A1 LYS 363 HB2 0.01 -0.05 0.16 -0.04 1.87 1.94 2vh4A1 LYS 363 HB3 0.04 0.06 0.08 -0.04 1.79 1.92 2vh4A1 LYS 363 HG2 0.00 0.01 0.08 -0.04 1.46 1.52 2vh4A1 LYS 363 HG3 0.01 -0.11 -0.16 -0.04 1.46 1.16 2vh4A1 LYS 363 HD2 -0.01 -0.04 -0.01 -0.04 1.69 1.59 2vh4A1 LYS 363 HD3 0.00 0.05 0.07 -0.04 1.68 1.76 2vh4A1 LYS 363 HE2 0.03 0.04 0.01 -0.04 2.99 3.02 2vh4A1 LYS 363 HE3 0.01 -0.06 -0.03 -0.04 2.99 2.86 2vh4A1 THR 364 H 0.16 0.63 0.47 -0.55 8.28 8.99 2vh4A1 THR 364 HA 0.16 0.28 1.08 -0.75 4.39 5.16 2vh4A1 THR 364 HB 0.30 0.02 0.05 -0.04 4.32 4.64 2vh4A1 THR 364 HG23 0.08 -0.05 -0.26 -0.04 1.22 0.95 2vh4A1 PHE 365 H 0.22 0.58 0.39 -0.55 8.34 8.97 2vh4A1 PHE 365 HA 0.00 0.25 0.91 -0.75 4.62 5.03 2vh4A1 PHE 365 HB2 0.02 0.07 -0.01 -0.04 3.15 3.20 2vh4A1 PHE 365 HB3 0.01 -0.11 -0.02 -0.04 3.06 2.90 2vh4A1 PHE 365 HD2 -0.02 -0.08 -0.17 -0.04 7.28 6.97 2vh4A1 PHE 365 HE2 -0.04 -0.05 -0.14 -0.04 7.38 7.11 2vh4A1 PHE 365 HZ -0.05 -0.05 -0.11 -0.04 7.32 7.08 2vh4A1 ILE 366 H -0.86 0.52 0.36 -0.55 8.25 7.72 2vh4A1 ILE 366 HA -0.57 0.34 0.83 -0.75 4.18 4.03 2vh4A1 ILE 366 HB -0.28 0.01 -0.08 -0.04 1.89 1.50 2vh4A1 ILE 366 HG12 -0.27 -0.05 -0.17 -0.04 1.49 0.97 2vh4A1 ILE 366 HG13 -0.28 0.18 0.10 -0.04 1.21 1.17 2vh4A1 ILE 366 HG23 -0.38 -0.01 -0.12 -0.04 0.93 0.38 2vh4A1 ILE 366 HD13 0.11 -0.02 -0.13 -0.04 0.88 0.79 2vh4A1 SER 367 H -0.41 0.66 0.34 -0.55 8.46 8.50 2vh4A1 SER 367 HA -0.36 0.29 0.93 -0.75 4.49 4.59 2vh4A1 SER 367 HB2 -0.25 0.02 0.02 -0.04 3.95 3.70 2vh4A1 SER 367 HB3 -0.14 -0.10 0.21 -0.04 3.93 3.86 2vh4A1 VAL 368 H -0.60 0.74 0.32 -0.55 8.24 8.15 2vh4A1 VAL 368 HA -0.28 0.26 1.15 -0.75 4.13 4.50 2vh4A1 VAL 368 HB -1.43 -0.05 0.25 -0.04 2.12 0.85 2vh4A1 VAL 368 HG13 -0.24 0.02 -0.09 -0.04 0.97 0.62 2vh4A1 VAL 368 HG23 -0.44 -0.02 -0.08 -0.04 0.95 0.38 2vh4A1 ASP 369 H -0.06 0.51 0.25 -0.55 8.40 8.55 2vh4A1 ASP 369 HA -0.08 0.20 0.82 -0.75 4.63 4.81 2vh4A1 ASP 369 HB2 -0.02 -0.09 0.17 -0.04 2.71 2.74 2vh4A1 ASP 369 HB3 -0.07 0.08 -0.18 -0.04 2.70 2.49 2vh4A1 GLU 370 H 0.06 0.14 0.15 -0.55 8.60 8.40 2vh4A1 GLU 370 HA 0.34 0.15 0.35 -0.75 4.29 4.37 2vh4A1 GLU 370 HB2 0.10 -0.05 0.11 -0.04 2.09 2.21 2vh4A1 GLU 370 HB3 0.18 0.24 0.11 -0.04 1.99 2.48 2vh4A1 GLU 370 HG2 0.04 0.02 -0.09 -0.04 2.34 2.28 2vh4A1 GLU 370 HG3 -0.03 0.04 -0.06 -0.04 2.34 2.26 2vh4A1 LEU 371 H 0.14 -0.03 -0.19 -0.55 8.37 7.75 2vh4A1 LEU 371 HA 0.22 0.17 0.74 -0.75 4.35 4.73 2vh4A1 LEU 371 HB2 0.01 -0.00 0.02 -0.04 1.64 1.62 2vh4A1 LEU 371 HB3 0.03 0.03 0.06 -0.04 1.64 1.71 2vh4A1 LEU 371 HG 0.09 -0.12 -0.14 -0.04 1.64 1.43 2vh4A1 LEU 371 HD13 0.02 0.01 -0.02 -0.04 0.93 0.90 2vh4A1 LEU 371 HD23 0.06 0.02 -0.02 -0.04 0.89 0.91 2vh4A1 GLY 372 H -0.06 0.05 -0.08 -0.55 8.43 7.79 2vh4A1 GLY 372 HA2 -1.74 0.02 0.29 -0.51 4.01 2.07 2vh4A1 GLY 372 HA3 -0.48 0.30 0.75 -0.51 4.01 4.06 2vh4A1 THR 373 H -0.42 0.66 0.29 -0.55 8.28 8.26 2vh4A1 THR 373 HA -0.23 0.37 1.05 -0.75 4.39 4.83 2vh4A1 THR 373 HB -0.09 -0.05 -0.02 -0.04 4.32 4.13 2vh4A1 THR 373 HG23 -0.04 -0.01 -0.23 -0.04 1.22 0.91 2vh4A1 LYS 374 H -0.17 0.46 0.35 -0.55 8.42 8.51 2vh4A1 LYS 374 HA -0.10 0.36 1.05 -0.75 4.32 4.88 2vh4A1 LYS 374 HB2 0.01 -0.07 0.19 -0.04 1.87 1.95 2vh4A1 LYS 374 HB3 0.11 0.06 0.04 -0.04 1.79 1.96 2vh4A1 LYS 374 HG2 -0.07 0.05 0.07 -0.04 1.46 1.48 2vh4A1 LYS 374 HG3 -0.10 -0.08 -0.13 -0.04 1.46 1.11 2vh4A1 LYS 374 HD2 -0.00 -0.05 -0.04 -0.04 1.69 1.56 2vh4A1 LYS 374 HD3 0.09 0.03 -0.03 -0.04 1.68 1.73 2vh4A1 LYS 374 HE2 -0.01 -0.00 -0.04 -0.04 2.99 2.89 2vh4A1 LYS 374 HE3 -0.03 0.06 -0.03 -0.04 2.99 2.94 2vh4A1 ALA 375 H 0.03 0.76 0.36 -0.55 8.40 9.00 2vh4A1 ALA 375 HA -0.21 0.29 0.91 -0.75 4.34 4.57 2vh4A1 ALA 375 HB3 -0.90 -0.02 -0.03 -0.04 1.41 0.42 2vh4A1 GLY 376 H 0.09 0.64 0.41 -0.55 8.43 9.03 2vh4A1 GLY 376 HA2 0.28 0.34 1.10 -0.51 4.01 5.22 2vh4A1 GLY 376 HA3 0.20 -0.02 0.37 -0.51 4.01 4.05 2vh4A1 ALA 377 H 0.22 0.61 0.42 -0.55 8.40 9.11 2vh4A1 ALA 377 HA 0.12 0.30 0.94 -0.75 4.34 4.94 2vh4A1 ALA 377 HB3 0.10 -0.02 0.00 -0.04 1.41 1.45 2vh4A1 VAL 378 H -0.04 0.74 0.43 -0.55 8.24 8.82 2vh4A1 VAL 378 HA 0.14 0.39 1.02 -0.75 4.13 4.92 2vh4A1 VAL 378 HB 0.06 -0.10 0.11 -0.04 2.12 2.14 2vh4A1 VAL 378 HG13 0.16 -0.01 -0.15 -0.04 0.97 0.92 2vh4A1 VAL 378 HG23 0.08 0.01 -0.19 -0.04 0.95 0.81 2vh4A1 THR 379 H 0.19 0.69 0.31 -0.55 8.28 8.93 2vh4A1 THR 379 HA 0.24 0.38 1.05 -0.75 4.39 5.29 2vh4A1 THR 379 HB 0.20 -0.01 0.12 -0.04 4.32 4.60 2vh4A1 THR 379 HG23 0.18 -0.01 -0.12 -0.04 1.22 1.24 2vh4A1 SER 380 H 0.13 0.58 0.26 -0.55 8.46 8.88 2vh4A1 SER 380 HA 0.13 0.35 1.15 -0.75 4.49 5.37 2vh4A1 SER 380 HB2 0.07 0.00 -0.01 -0.04 3.95 3.97 2vh4A1 SER 380 HB3 0.06 -0.02 -0.02 -0.04 3.93 3.91 2vh4A1 VAL 381 H 0.11 0.79 0.37 -0.55 8.24 8.96 2vh4A1 VAL 381 HA 0.06 0.18 1.07 -0.75 4.13 4.68 2vh4A1 VAL 381 HB 0.01 -0.04 0.22 -0.04 2.12 2.28 2vh4A1 VAL 381 HG13 -0.09 -0.01 -0.14 -0.04 0.97 0.69 2vh4A1 VAL 381 HG23 0.07 0.03 -0.18 -0.04 0.95 0.83 2vh4A1 ASP 382 H -0.02 0.65 0.36 -0.55 8.40 8.84 2vh4A1 ASP 382 HA -0.35 0.24 1.02 -0.75 4.63 4.78 2vh4A1 ASP 382 HB2 0.06 0.03 0.03 -0.04 2.71 2.78 2vh4A1 ASP 382 HB3 -0.06 -0.20 0.27 -0.04 2.70 2.66 2vh4A1 ILE 383 H -0.42 0.72 0.42 -0.55 8.25 8.43 2vh4A1 ILE 383 HA -0.41 0.29 0.85 -0.75 4.18 4.16 2vh4A1 ILE 383 HB -0.38 -0.09 0.24 -0.04 1.89 1.62 2vh4A1 ILE 383 HG12 -0.32 0.03 -0.16 -0.04 1.49 1.00 2vh4A1 ILE 383 HG13 -0.41 0.01 -0.10 -0.04 1.21 0.67 2vh4A1 ILE 383 HG23 -0.42 0.00 -0.17 -0.04 0.93 0.30 2vh4A1 ILE 383 HD13 -0.72 0.01 -0.27 -0.04 0.88 -0.14 2vh4A1 THR 384 H -0.52 0.73 0.41 -0.55 8.28 8.35 2vh4A1 THR 384 HA -0.25 0.18 1.02 -0.75 4.39 4.59 2vh4A1 THR 384 HB -0.27 -0.09 -0.26 -0.04 4.32 3.65 2vh4A1 THR 384 HG23 -0.61 0.05 -0.17 -0.04 1.22 0.45 2vh4A1 ALA 385 H -0.10 0.17 0.10 -0.55 8.40 8.02 2vh4A1 ALA 385 HA 0.01 0.22 0.35 -0.75 4.34 4.16 2vh4A1 ALA 385 HB3 -0.01 -0.02 -0.13 -0.04 1.41 1.22 2vh4A1 ALA 386 H 0.04 -0.04 0.03 -0.55 8.40 7.88 2vh4A1 ALA 386 HA 0.15 0.30 0.94 -0.75 4.34 4.97 2vh4A1 ALA 386 HB3 0.05 -0.02 -0.01 -0.04 1.41 1.39 2vh4A1 GLY 387 H 0.08 0.09 0.13 -0.55 8.43 8.19 2vh4A1 GLY 387 HA2 0.05 0.01 0.33 -0.51 4.01 3.90 2vh4A1 GLY 387 HA3 0.10 0.04 0.36 -0.51 4.01 4.00 2vh4A1 ILE 388 H 0.06 0.18 0.13 -0.55 8.25 8.07 2vh4A1 ILE 388 HA -0.00 0.22 0.73 -0.75 4.18 4.38 2vh4A1 ILE 388 HB -0.05 0.03 -0.15 -0.04 1.89 1.68 2vh4A1 ILE 388 HG12 -0.02 -0.08 -0.01 -0.04 1.49 1.34 2vh4A1 ILE 388 HG13 -0.01 0.26 -0.04 -0.04 1.21 1.38 2vh4A1 ILE 388 HG23 0.00 -0.03 -0.02 -0.04 0.93 0.84 2vh4A1 ILE 388 HD13 -0.09 -0.00 0.11 -0.04 0.88 0.85 2vh4A1 PRO 389 HA 0.03 -0.01 0.59 -0.51 4.44 4.54 2vh4A1 PRO 389 HB2 0.03 -0.04 0.03 -0.04 2.28 2.26 2vh4A1 PRO 389 HB3 0.05 0.07 0.18 -0.04 2.02 2.28 2vh4A1 PRO 389 HG2 0.23 0.13 0.21 -0.04 2.03 2.56 2vh4A1 PRO 389 HG3 0.25 -0.02 0.23 -0.04 2.03 2.45 2vh4A1 PRO 389 HD2 0.05 0.15 0.28 -0.04 3.68 4.12 2vh4A1 PRO 389 HD3 0.21 0.14 0.18 -0.04 3.65 4.13 2vh4A1 VAL 390 H -0.05 0.18 0.23 -0.55 8.24 8.06 2vh4A1 VAL 390 HA -0.05 0.16 0.72 -0.75 4.13 4.21 2vh4A1 VAL 390 HB -0.11 -0.05 0.14 -0.04 2.12 2.06 2vh4A1 VAL 390 HG13 -0.13 -0.01 -0.08 -0.04 0.97 0.71 2vh4A1 VAL 390 HG23 -0.01 0.03 -0.09 -0.04 0.95 0.83 2vh4A1 ASN 391 H -0.07 0.27 0.14 -0.55 8.53 8.32 2vh4A1 ASN 391 HA -0.22 0.15 0.99 -0.75 4.76 4.92 2vh4A1 ASN 391 HB2 -0.05 0.01 0.01 -0.04 2.88 2.81 2vh4A1 ASN 391 HB3 -0.06 0.08 0.06 -0.04 2.79 2.82 2vh4A1 ASN 391 HD21 -0.06 -0.01 -0.02 -0.04 7.03 6.90 2vh4A1 ASN 391 HD22 -0.09 0.04 0.07 -0.04 7.74 7.73 2vh4A1 PHE 392 H -0.13 0.17 0.22 -0.55 8.34 8.05 2vh4A1 PHE 392 HA -0.02 0.21 0.84 -0.75 4.62 4.90 2vh4A1 PHE 392 HB2 -0.01 -0.02 0.04 -0.04 3.15 3.11 2vh4A1 PHE 392 HB3 -0.01 0.02 0.08 -0.04 3.06 3.11 2vh4A1 PHE 392 HD2 -0.01 0.11 -0.03 -0.04 7.28 7.30 2vh4A1 PHE 392 HE2 -0.01 0.01 -0.05 -0.04 7.38 7.29 2vh4A1 PHE 392 HZ -0.00 0.00 -0.04 -0.04 7.32 7.23 2vh4A1 LYS 393 H 0.12 0.27 0.15 -0.55 8.42 8.40 2vh4A1 LYS 393 HA 0.05 0.11 0.87 -0.75 4.32 4.60 2vh4A1 LYS 393 HB2 0.03 -0.07 -0.25 -0.04 1.87 1.53 2vh4A1 LYS 393 HB3 0.02 0.01 -0.02 -0.04 1.79 1.76 2vh4A1 LYS 393 HG2 0.01 0.15 -0.00 -0.04 1.46 1.58 2vh4A1 LYS 393 HG3 0.01 -0.01 0.07 -0.04 1.46 1.49 2vh4A1 LYS 393 HD2 -0.01 -0.13 -0.10 -0.04 1.69 1.40 2vh4A1 LYS 393 HD3 -0.01 -0.00 -0.09 -0.04 1.68 1.54 2vh4A1 LYS 393 HE2 -0.02 -0.12 -0.02 -0.04 2.99 2.79 2vh4A1 LYS 393 HE3 -0.03 -0.00 -0.10 -0.04 2.99 2.81 2vh4A1 THR 394 H 0.03 0.15 0.18 -0.55 8.28 8.10 2vh4A1 THR 394 HA 0.01 0.21 0.99 -0.75 4.39 4.85 2vh4A1 THR 394 HB 0.02 0.07 0.12 -0.04 4.32 4.49 2vh4A1 THR 394 HG23 0.03 0.01 -0.07 -0.04 1.22 1.15 2vh4A1 VAL 395 H 0.00 0.13 0.15 -0.55 8.24 7.97 2vh4A1 VAL 395 HA -0.01 0.28 0.81 -0.75 4.13 4.46 2vh4A1 VAL 395 HB -0.00 -0.05 -0.01 -0.04 2.12 2.02 2vh4A1 VAL 395 HG13 -0.01 0.07 -0.04 -0.04 0.97 0.94 2vh4A1 VAL 395 HG23 -0.01 0.01 -0.05 -0.04 0.95 0.86 2vh4A1 LYS 396 H -0.02 0.29 -0.00 -0.55 8.42 8.13 2vh4A1 LYS 396 HA 0.00 0.06 0.32 -0.75 4.32 3.95 2vh4A1 LYS 396 HB2 -0.04 0.11 -0.15 -0.04 1.87 1.75 2vh4A1 LYS 396 HB3 -0.04 -0.00 -0.01 -0.04 1.79 1.70 2vh4A1 LYS 396 HG2 -0.03 0.01 -0.10 -0.04 1.46 1.30 2vh4A1 LYS 396 HG3 -0.01 -0.08 -0.36 -0.04 1.46 0.97 2vh4A1 LYS 396 HD2 0.01 0.04 0.01 -0.04 1.69 1.70 2vh4A1 LYS 396 HD3 0.00 0.04 0.01 -0.04 1.68 1.70 2vh4A1 LYS 396 HE2 -0.05 -0.08 -0.04 -0.04 2.99 2.78 2vh4A1 LYS 396 HE3 -0.01 -0.03 -0.04 -0.04 2.99 2.87 2vh4A1 LEU 397 H 0.01 0.07 0.17 -0.55 8.37 8.07 2vh4A1 LEU 397 HA 0.00 0.17 0.87 -0.75 4.35 4.64 2vh4A1 ASN 398 H 0.01 0.05 0.11 -0.55 8.53 8.16 2vh4A1 ASN 398 HA 0.01 0.16 0.83 -0.75 4.76 5.00 2vh4A1 ASN 398 HB2 0.02 0.04 0.06 -0.04 2.88 2.96 2vh4A1 ASN 398 HB3 0.02 0.04 -0.03 -0.04 2.79 2.78 2vh4A1 ASN 398 HD21 -0.03 -0.02 0.00 -0.04 7.03 6.94 2vh4A1 ASN 398 HD22 0.02 0.03 0.01 -0.04 7.74 7.76 2vh4A1 ARG 399 H 0.01 0.08 0.13 -0.55 8.46 8.12 2vh4A1 ARG 399 HA 0.01 0.17 0.55 -0.75 4.34 4.32 2vh4A1 ARG 399 HB2 -0.00 -0.01 0.12 -0.04 1.90 1.97 2vh4A1 ARG 399 HB3 0.00 -0.20 0.15 -0.04 1.80 1.71 2vh4A1 ARG 399 HG2 -0.03 0.04 -0.18 -0.04 1.67 1.47 2vh4A1 ARG 399 HG3 -0.05 0.04 0.00 -0.04 1.67 1.62 2vh4A1 ARG 399 HD2 -0.07 0.28 -0.25 -0.04 3.22 3.14 2vh4A1 ARG 399 HD3 -0.02 -0.09 -0.01 -0.04 3.22 3.06 2vh4A1 PRO 400 HA 0.08 0.21 0.79 -0.51 4.44 5.01 2vh4A1 PRO 400 HB2 0.10 0.06 -0.12 -0.04 2.28 2.27 2vh4A1 PRO 400 HB3 0.05 0.07 0.02 -0.04 2.02 2.12 2vh4A1 PRO 400 HG2 0.07 -0.00 0.04 -0.04 2.03 2.09 2vh4A1 PRO 400 HG3 0.03 0.04 0.05 -0.04 2.03 2.11 2vh4A1 PRO 400 HD2 0.00 0.06 0.24 -0.04 3.68 3.94 2vh4A1 PRO 400 HD3 0.02 0.23 0.35 -0.04 3.65 4.20 2vh4A1 PHE 401 H 0.24 0.41 0.28 -0.55 8.34 8.72 2vh4A1 PHE 401 HA 0.06 0.12 0.84 -0.75 4.62 4.89 2vh4A1 PHE 401 HB2 0.10 -0.08 0.13 -0.04 3.15 3.26 2vh4A1 PHE 401 HB3 0.10 0.08 0.23 -0.04 3.06 3.42 2vh4A1 PHE 401 HD2 0.22 -0.07 -0.18 -0.04 7.28 7.21 2vh4A1 PHE 401 HE2 0.35 0.01 -0.06 -0.04 7.38 7.64 2vh4A1 PHE 401 HZ 0.32 -0.03 -0.01 -0.04 7.32 7.55 2vh4A1 ILE 402 H -0.22 0.55 0.37 -0.55 8.25 8.40 2vh4A1 ILE 402 HA 0.06 0.21 0.95 -0.75 4.18 4.64 2vh4A1 ILE 402 HB -0.05 0.01 0.16 -0.04 1.89 1.97 2vh4A1 ILE 402 HG12 0.25 -0.00 -0.03 -0.04 1.49 1.67 2vh4A1 ILE 402 HG13 0.09 0.00 -0.22 -0.04 1.21 1.03 2vh4A1 ILE 402 HG23 -0.07 -0.01 -0.08 -0.04 0.93 0.72 2vh4A1 ILE 402 HD13 0.19 -0.01 -0.02 -0.04 0.88 0.99 2vh4A1 PHE 403 H -0.32 0.59 0.39 -0.55 8.34 8.45 2vh4A1 PHE 403 HA -0.23 0.25 0.79 -0.75 4.62 4.68 2vh4A1 PHE 403 HB2 -0.51 0.04 0.13 -0.04 3.15 2.77 2vh4A1 PHE 403 HB3 0.34 0.01 -0.13 -0.04 3.06 3.24 2vh4A1 PHE 403 HD2 0.14 0.03 -0.33 -0.04 7.28 7.07 2vh4A1 PHE 403 HE2 0.03 -0.00 -0.33 -0.04 7.38 7.03 2vh4A1 PHE 403 HZ 0.21 0.01 -0.16 -0.04 7.32 7.34 2vh4A1 ALA 404 H -0.23 0.64 0.38 -0.55 8.40 8.65 2vh4A1 ALA 404 HA -0.05 0.12 0.65 -0.75 4.34 4.30 2vh4A1 ALA 404 HB3 0.04 0.01 -0.00 -0.04 1.41 1.42 2vh4A1 ILE 405 H 0.12 0.33 0.22 -0.55 8.25 8.36 2vh4A1 ILE 405 HA 0.18 0.30 1.07 -0.75 4.18 4.98 2vh4A1 ILE 405 HB 0.03 -0.13 0.17 -0.04 1.89 1.92 2vh4A1 ILE 405 HG12 0.24 0.06 -0.04 -0.04 1.49 1.70 2vh4A1 ILE 405 HG13 0.21 -0.06 -0.18 -0.04 1.21 1.15 2vh4A1 ILE 405 HG23 -0.64 0.01 -0.14 -0.04 0.93 0.12 2vh4A1 ILE 405 HD13 -0.34 -0.00 -0.13 -0.04 0.88 0.37 2vh4A1 ILE 406 H 0.23 0.62 0.26 -0.55 8.25 8.81 2vh4A1 ILE 406 HA 0.17 0.19 1.05 -0.75 4.18 4.84 2vh4A1 ILE 406 HB 0.15 0.05 -0.33 -0.04 1.89 1.72 2vh4A1 ILE 406 HG12 0.13 0.01 -0.20 -0.04 1.49 1.39 2vh4A1 ILE 406 HG13 0.18 -0.16 -0.14 -0.04 1.21 1.05 2vh4A1 ILE 406 HG23 0.18 -0.01 -0.38 -0.04 0.93 0.68 2vh4A1 ILE 406 HD13 0.05 0.01 -0.21 -0.04 0.88 0.69 2vh4A1 ASP 407 H 0.23 0.57 0.22 -0.55 8.40 8.87 2vh4A1 ASP 407 HA 0.21 0.22 0.79 -0.75 4.63 5.10 2vh4A1 ASP 407 HB2 0.34 0.10 0.11 -0.04 2.71 3.22 2vh4A1 ASP 407 HB3 0.28 0.02 0.21 -0.04 2.70 3.17 2vh4A1 ASN 408 H -0.01 0.86 0.35 -0.55 8.53 9.18 2vh4A1 ASN 408 HA 0.08 0.01 0.09 -0.75 4.76 4.18 2vh4A1 ASN 408 HB2 0.02 0.18 -0.01 -0.04 2.88 3.03 2vh4A1 ASN 408 HB3 0.04 0.01 -0.04 -0.04 2.79 2.76 2vh4A1 ASN 408 HD21 0.13 -0.05 -0.48 -0.04 7.03 6.59 2vh4A1 ASN 408 HD22 0.06 0.25 -0.49 -0.04 7.74 7.51 2vh4A1 SER 409 H 0.05 0.08 -0.33 -0.55 8.46 7.71 2vh4A1 SER 409 HA 0.05 0.20 0.62 -0.75 4.49 4.62 2vh4A1 SER 409 HB2 0.06 0.01 0.11 -0.04 3.95 4.09 2vh4A1 SER 409 HB3 0.04 0.04 0.05 -0.04 3.93 4.03 2vh4A1 THR 410 H 0.10 0.19 -0.12 -0.55 8.28 7.90 2vh4A1 THR 410 HA 0.05 0.23 0.80 -0.75 4.39 4.71 2vh4A1 THR 410 HB 0.03 -0.03 0.06 -0.04 4.32 4.34 2vh4A1 THR 410 HG23 0.20 0.01 -0.17 -0.04 1.22 1.21 2vh4A1 ASN 411 H 0.08 0.47 0.15 -0.55 8.53 8.68 2vh4A1 ASN 411 HA 0.07 0.02 0.16 -0.75 4.76 4.26 2vh4A1 ASN 411 HB2 -0.03 0.23 0.33 -0.04 2.88 3.38 2vh4A1 ASN 411 HB3 -0.01 -0.03 0.15 -0.04 2.79 2.86 2vh4A1 ASN 411 HD21 -0.01 0.01 -0.16 -0.04 7.03 6.83 2vh4A1 ASN 411 HD22 -0.03 0.04 -0.06 -0.04 7.74 7.66 2vh4A1 LEU 412 H 0.09 -0.04 -0.32 -0.55 8.37 7.54 2vh4A1 LEU 412 HA 0.04 0.15 0.37 -0.75 4.35 4.15 2vh4A1 LEU 412 HB2 0.14 -0.09 0.02 -0.04 1.64 1.67 2vh4A1 LEU 412 HB3 0.01 0.07 -0.13 -0.04 1.64 1.56 2vh4A1 LEU 412 HG -0.07 -0.01 -0.08 -0.04 1.64 1.44 2vh4A1 LEU 412 HD13 -0.26 -0.01 -0.08 -0.04 0.93 0.54 2vh4A1 LEU 412 HD23 -0.18 0.08 -0.08 -0.04 0.89 0.66 2vh4A1 PRO 413 HA 0.09 0.17 0.70 -0.51 4.44 4.88 2vh4A1 PRO 413 HB2 -0.19 0.02 -0.12 -0.04 2.28 1.94 2vh4A1 PRO 413 HB3 -0.09 0.04 0.00 -0.04 2.02 1.92 2vh4A1 PRO 413 HG2 -0.38 -0.02 0.01 -0.04 2.03 1.60 2vh4A1 PRO 413 HG3 -0.86 0.06 0.01 -0.04 2.03 1.20 2vh4A1 PRO 413 HD2 -0.11 0.05 0.10 -0.04 3.68 3.68 2vh4A1 PRO 413 HD3 -0.06 0.16 0.18 -0.04 3.65 3.90 2vh4A1 ILE 414 H 0.08 0.41 0.37 -0.55 8.25 8.57 2vh4A1 ILE 414 HA -0.01 -0.05 0.45 -0.75 4.18 3.82 2vh4A1 ILE 414 HB 0.03 0.02 0.04 -0.04 1.89 1.94 2vh4A1 ILE 414 HG12 0.16 0.01 -0.03 -0.04 1.49 1.59 2vh4A1 ILE 414 HG13 0.07 0.04 -0.09 -0.04 1.21 1.19 2vh4A1 ILE 414 HG23 -0.13 -0.01 -0.12 -0.04 0.93 0.64 2vh4A1 ILE 414 HD13 0.21 -0.01 -0.09 -0.04 0.88 0.95 2vh4A1 PHE 415 H 0.12 0.37 0.16 -0.55 8.34 8.44 2vh4A1 PHE 415 HA 0.00 0.27 0.95 -0.75 4.62 5.09 2vh4A1 PHE 415 HB2 -0.03 -0.12 0.07 -0.04 3.15 3.02 2vh4A1 PHE 415 HB3 0.05 0.03 -0.06 -0.04 3.06 3.04 2vh4A1 PHE 415 HD2 -0.06 -0.02 -0.23 -0.04 7.28 6.93 2vh4A1 PHE 415 HE2 0.04 0.08 -0.27 -0.04 7.38 7.19 2vh4A1 PHE 415 HZ 0.08 -0.02 -0.54 -0.04 7.32 6.80 2vh4A1 ILE 416 H 0.01 0.76 0.32 -0.55 8.25 8.78 2vh4A1 ILE 416 HA -0.34 0.20 0.68 -0.75 4.18 3.97 2vh4A1 ILE 416 HB -0.41 0.02 0.02 -0.04 1.89 1.48 2vh4A1 ILE 416 HG12 -1.81 -0.02 -0.07 -0.04 1.49 -0.45 2vh4A1 ILE 416 HG13 -0.67 0.24 0.17 -0.04 1.21 0.90 2vh4A1 ILE 416 HG23 -0.35 -0.02 -0.04 -0.04 0.93 0.49 2vh4A1 ILE 416 HD13 -0.87 -0.02 -0.06 -0.04 0.88 -0.12 2vh4A1 GLY 417 H -0.92 0.66 0.33 -0.55 8.43 7.95 2vh4A1 GLY 417 HA2 -0.10 0.03 0.66 -0.51 4.01 4.10 2vh4A1 GLY 417 HA3 -0.48 0.07 0.39 -0.51 4.01 3.48 2vh4A1 THR 418 H -0.05 0.52 0.34 -0.55 8.28 8.54 2vh4A1 THR 418 HA 0.09 0.29 1.07 -0.75 4.39 5.09 2vh4A1 THR 418 HB 0.07 0.08 0.09 -0.04 4.32 4.51 2vh4A1 THR 418 HG23 0.16 -0.03 -0.19 -0.04 1.22 1.12 2vh4A1 VAL 419 H 0.24 0.66 0.39 -0.55 8.24 8.98 2vh4A1 VAL 419 HA -0.10 0.10 0.65 -0.75 4.13 4.03 2vh4A1 VAL 419 HB -0.22 -0.07 0.02 -0.04 2.12 1.81 2vh4A1 VAL 419 HG13 -0.70 -0.01 -0.08 -0.04 0.97 0.14 2vh4A1 VAL 419 HG23 -0.16 0.01 -0.08 -0.04 0.95 0.67 2vh4A1 LEU 420 H -0.03 0.03 0.04 -0.55 8.37 7.86 2vh4A1 LEU 420 HA 0.06 -0.03 0.33 -0.75 4.35 3.95 2vh4A1 LEU 420 HB2 0.10 0.19 -0.07 -0.04 1.64 1.81 2vh4A1 LEU 420 HB3 0.06 -0.04 0.02 -0.04 1.64 1.63 2vh4A1 LEU 420 HG -0.07 -0.04 -0.22 -0.04 1.64 1.27 2vh4A1 LEU 420 HD13 0.01 0.02 -0.08 -0.04 0.93 0.84 2vh4A1 LEU 420 HD23 0.03 -0.00 -0.01 -0.04 0.89 0.86 2vh4A1 SER 421 H 0.06 0.16 0.04 -0.55 8.46 8.18 2vh4A1 SER 421 HA 0.04 0.31 0.79 -0.75 4.49 4.88 2vh4A1 SER 421 HB2 0.06 -0.06 -0.05 -0.04 3.95 3.86 2vh4A1 SER 421 HB3 0.05 -0.04 0.21 -0.04 3.93 4.11 2vh4A1 LEU 422 H 0.05 0.72 0.07 -0.55 8.37 8.66 2vh4A1 LEU 422 HA 0.01 0.08 0.29 -0.75 4.35 3.97 2vh4A1 LEU 422 HB2 0.03 0.07 -0.02 -0.04 1.64 1.68 2vh4A1 LEU 422 HB3 0.03 -0.01 0.01 -0.04 1.64 1.63 2vh4A1 LEU 422 HG 0.11 -0.02 -0.11 -0.04 1.64 1.59 2vh4A1 LEU 422 HD13 0.11 0.02 -0.21 -0.04 0.93 0.81 2vh4A1 LEU 422 HD23 0.13 -0.01 -0.08 -0.04 0.89 0.89