============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 8 1.000 -4.103-175.028 60.745 -99.200 -91.000 HIS 35 0.900 4.170-173.539 41.656 -99.200 -91.000 TRP 42 1.040 -0.583-178.778 48.317 -99.200 -91.000 TRP6 42 1.020 -1.789-178.165 46.378 -99.200 -91.000 HIS 66 0.900 13.001-190.529 49.417 -99.200 -91.000 TYR 69 0.840 14.653-197.250 46.443 -99.200 -91.000 HIS 86 0.900 17.733-177.714 40.929 -99.200 -91.000 PHE 88 1.000 25.611-173.486 47.919 -99.200 -91.000 TYR 90 0.840 21.495-175.162 38.140 -99.200 -91.000 HIS 93 0.900 23.704-167.304 37.825 -99.200 -91.000 TYR 97 0.840 14.189-165.154 45.244 -99.200 -91.000 HIS 109 0.900 7.617-180.605 59.654 -99.200 -91.000 PHE 111 1.000 11.061-176.514 57.176 -99.200 -91.000 HIS 114 0.900 15.266-165.572 50.938 -99.200 -91.000 HIS 116 0.900 22.311-165.988 45.672 -99.200 -91.000 TYR 123 0.840 6.001-171.211 65.855 -99.200 -91.000 TYR 124 0.840 5.289-164.282 62.221 -99.200 -91.000 HIS 141 0.900 -3.820-157.518 62.795 -99.200 -91.000 TRP 142 1.040 1.856-165.892 64.316 -99.200 -91.000 TRP6 142 1.020 3.145-166.156 66.283 -99.200 -91.000 TRP 164 1.040 -6.503-154.521 49.158 -99.200 -91.000 TRP6 164 1.020 -7.743-154.577 47.149 -99.200 -91.000 TYR 186 0.840 -4.981-175.004 44.512 -99.200 -91.000 TYR 190 0.840 -10.528-168.102 51.524 -99.200 -91.000 TYR 203 0.840 -15.785-150.358 23.091 -99.200 -91.000 PHE 205 1.000 -14.679-153.437 15.931 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f16V1 THR 1 HA -0.01 0.05 0.24 -0.75 4.39 3.92 2f16V1 THR 1 HB -0.01 -0.20 0.16 -0.04 4.32 4.23 2f16V1 THR 1 HG23 0.02 0.01 -0.17 -0.04 1.22 1.03 2f16V1 THR 2 H -0.01 0.17 0.14 -0.55 8.28 8.03 2f16V1 THR 2 HA -0.00 0.18 0.97 -0.75 4.39 4.79 2f16V1 THR 2 HB -0.03 -0.02 0.17 -0.04 4.32 4.40 2f16V1 THR 2 HG23 0.00 0.02 -0.21 -0.04 1.22 0.99 2f16V1 ILE 3 H 0.02 0.50 0.25 -0.55 8.25 8.47 2f16V1 ILE 3 HA 0.03 0.29 1.11 -0.75 4.18 4.85 2f16V1 ILE 3 HB 0.06 0.06 0.04 -0.04 1.89 2.00 2f16V1 ILE 3 HG12 0.03 0.06 -0.13 -0.04 1.49 1.40 2f16V1 ILE 3 HG13 0.03 -0.19 0.01 -0.04 1.21 1.01 2f16V1 ILE 3 HG23 0.05 -0.02 -0.19 -0.04 0.93 0.73 2f16V1 ILE 3 HD13 0.05 -0.01 -0.32 -0.04 0.88 0.56 2f16V1 VAL 4 H 0.05 0.61 0.35 -0.55 8.24 8.70 2f16V1 VAL 4 HA 0.05 0.25 0.97 -0.75 4.13 4.65 2f16V1 VAL 4 HB 0.08 0.08 0.15 -0.04 2.12 2.39 2f16V1 VAL 4 HG13 0.05 -0.03 -0.28 -0.04 0.97 0.67 2f16V1 VAL 4 HG23 0.05 -0.00 -0.13 -0.04 0.95 0.83 2f16V1 GLY 5 H 0.08 0.56 0.35 -0.55 8.43 8.87 2f16V1 GLY 5 HA2 0.08 0.28 1.00 -0.51 4.01 4.86 2f16V1 GLY 5 HA3 0.06 -0.01 0.29 -0.51 4.01 3.85 2f16V1 VAL 6 H 0.12 0.72 0.34 -0.55 8.24 8.88 2f16V1 VAL 6 HA 0.23 0.27 1.05 -0.75 4.13 4.92 2f16V1 VAL 6 HB 0.17 -0.08 0.06 -0.04 2.12 2.23 2f16V1 VAL 6 HG13 0.32 0.02 -0.09 -0.04 0.97 1.18 2f16V1 VAL 6 HG23 0.18 -0.03 -0.23 -0.04 0.95 0.83 2f16V1 LYS 7 H 0.30 0.76 0.38 -0.55 8.42 9.31 2f16V1 LYS 7 HA 0.10 0.05 0.86 -0.75 4.32 4.58 2f16V1 LYS 7 HB2 0.41 -0.05 0.23 -0.04 1.87 2.43 2f16V1 LYS 7 HB3 0.14 0.08 0.15 -0.04 1.79 2.12 2f16V1 LYS 7 HG2 0.06 -0.09 -0.01 -0.04 1.46 1.38 2f16V1 LYS 7 HG3 0.10 -0.00 0.18 -0.04 1.46 1.70 2f16V1 LYS 7 HD2 -0.06 0.08 -0.05 -0.04 1.69 1.62 2f16V1 LYS 7 HD3 -0.12 -0.09 -0.21 -0.04 1.68 1.23 2f16V1 LYS 7 HE2 -0.16 -0.01 0.00 -0.04 2.99 2.78 2f16V1 LYS 7 HE3 0.15 -0.02 0.02 -0.04 2.99 3.09 2f16V1 PHE 8 H -0.23 0.49 0.24 -0.55 8.34 8.29 2f16V1 PHE 8 HA 0.05 0.13 0.77 -0.75 4.62 4.82 2f16V1 PHE 8 HB2 -0.00 0.01 -0.38 -0.04 3.15 2.74 2f16V1 PHE 8 HB3 0.03 0.07 -0.28 -0.04 3.06 2.83 2f16V1 PHE 8 HD2 0.01 0.06 -0.21 -0.04 7.28 7.10 2f16V1 PHE 8 HE2 -0.01 0.08 -0.25 -0.04 7.38 7.16 2f16V1 PHE 8 HZ -0.01 0.06 -0.26 -0.04 7.32 7.07 2f16V1 ASN 9 H 0.22 0.85 0.27 -0.55 8.53 9.33 2f16V1 ASN 9 HA -0.00 0.06 0.38 -0.75 4.76 4.45 2f16V1 ASN 9 HB2 0.03 0.03 0.11 -0.04 2.88 3.01 2f16V1 ASN 9 HB3 0.04 0.03 0.11 -0.04 2.79 2.93 2f16V1 ASN 9 HD21 0.07 -0.14 0.04 -0.04 7.03 6.96 2f16V1 ASN 9 HD22 0.04 0.09 -0.09 -0.04 7.74 7.74 2f16V1 ASN 10 H -0.19 -0.04 -0.33 -0.55 8.53 7.41 2f16V1 ASN 10 HA -0.13 0.29 0.97 -0.75 4.76 5.14 2f16V1 ASN 10 HB2 0.05 0.04 -0.15 -0.04 2.88 2.78 2f16V1 ASN 10 HB3 0.17 -0.08 0.06 -0.04 2.79 2.91 2f16V1 ASN 10 HD21 -0.01 0.01 0.09 -0.04 7.03 7.08 2f16V1 ASN 10 HD22 -0.03 0.15 0.17 -0.04 7.74 8.00 2f16V1 GLY 11 H -0.98 0.48 0.08 -0.55 8.43 7.46 2f16V1 GLY 11 HA2 -0.33 0.05 0.45 -0.51 4.01 3.67 2f16V1 GLY 11 HA3 -0.58 0.13 0.70 -0.51 4.01 3.75 2f16V1 VAL 12 H -0.04 0.77 0.41 -0.55 8.24 8.84 2f16V1 VAL 12 HA 0.06 0.11 0.89 -0.75 4.13 4.44 2f16V1 VAL 12 HB -0.07 0.04 -0.17 -0.04 2.12 1.88 2f16V1 VAL 12 HG13 0.02 -0.02 0.04 -0.04 0.97 0.97 2f16V1 VAL 12 HG23 0.05 0.04 -0.12 -0.04 0.95 0.87 2f16V1 VAL 13 H 0.19 0.72 0.36 -0.55 8.24 8.96 2f16V1 VAL 13 HA 0.08 0.28 1.17 -0.75 4.13 4.91 2f16V1 VAL 13 HB 0.06 -0.08 -0.05 -0.04 2.12 2.01 2f16V1 VAL 13 HG13 0.14 -0.01 -0.06 -0.04 0.97 1.00 2f16V1 VAL 13 HG23 -0.05 0.00 -0.19 -0.04 0.95 0.67 2f16V1 ILE 14 H 0.01 0.53 0.38 -0.55 8.25 8.62 2f16V1 ILE 14 HA 0.06 0.23 1.04 -0.75 4.18 4.76 2f16V1 ILE 14 HB 0.09 0.10 0.12 -0.04 1.89 2.16 2f16V1 ILE 14 HG12 0.08 -0.00 -0.02 -0.04 1.49 1.51 2f16V1 ILE 14 HG13 0.07 -0.06 -0.09 -0.04 1.21 1.09 2f16V1 ILE 14 HG23 0.09 -0.02 -0.19 -0.04 0.93 0.77 2f16V1 ILE 14 HD13 0.21 0.01 -0.31 -0.04 0.88 0.75 2f16V1 ALA 15 H 0.04 0.52 0.35 -0.55 8.40 8.77 2f16V1 ALA 15 HA 0.02 0.32 1.00 -0.75 4.34 4.92 2f16V1 ALA 15 HB3 -0.00 -0.02 -0.05 -0.04 1.41 1.29 2f16V1 ALA 16 H 0.02 0.50 0.46 -0.55 8.40 8.84 2f16V1 ALA 16 HA 0.02 0.27 0.85 -0.75 4.34 4.73 2f16V1 ALA 16 HB3 0.04 -0.01 0.05 -0.04 1.41 1.44 2f16V1 ASP 17 H -0.01 0.22 0.36 -0.55 8.40 8.42 2f16V1 ASP 17 HA -0.04 0.41 0.89 -0.75 4.63 5.13 2f16V1 ASP 17 HB2 -0.08 0.18 0.32 -0.04 2.71 3.08 2f16V1 ASP 17 HB3 -0.06 -0.02 0.21 -0.04 2.70 2.79 2f16V1 THR 18 H -0.04 0.47 0.38 -0.55 8.28 8.53 2f16V1 THR 18 HA 0.00 0.22 0.99 -0.75 4.39 4.85 2f16V1 THR 18 HB -0.00 -0.14 0.21 -0.04 4.32 4.35 2f16V1 THR 18 HG23 -0.00 0.04 -0.22 -0.04 1.22 1.00 2f16V1 ARG 19 H -0.02 0.01 0.13 -0.55 8.46 8.03 2f16V1 ARG 19 HA -0.01 0.31 0.92 -0.75 4.34 4.82 2f16V1 ARG 19 HB2 -0.03 -0.04 -0.09 -0.04 1.90 1.71 2f16V1 ARG 19 HB3 -0.02 -0.10 0.09 -0.04 1.80 1.73 2f16V1 ARG 19 HG2 -0.00 -0.02 -0.46 -0.04 1.67 1.15 2f16V1 ARG 19 HG3 -0.00 -0.00 -0.04 -0.04 1.67 1.58 2f16V1 ARG 19 HD2 -0.01 0.03 -0.62 -0.04 3.22 2.58 2f16V1 ARG 19 HD3 -0.00 0.02 -0.23 -0.04 3.22 2.97 2f16V1 SER 20 H 0.00 0.53 0.37 -0.55 8.46 8.82 2f16V1 SER 20 HA 0.01 0.18 0.92 -0.75 4.49 4.84 2f16V1 SER 20 HB2 0.02 0.02 -0.02 -0.04 3.95 3.93 2f16V1 SER 20 HB3 0.01 -0.14 0.20 -0.04 3.93 3.96 2f16V1 THR 21 H 0.01 0.21 0.24 -0.55 8.28 8.19 2f16V1 THR 21 HA 0.01 0.11 1.28 -0.75 4.39 5.03 2f16V1 THR 21 HB 0.01 0.20 -0.09 -0.04 4.32 4.39 2f16V1 THR 21 HG23 0.00 -0.00 -0.34 -0.04 1.22 0.84 2f16V1 GLN 22 H 0.01 0.76 0.15 -0.55 8.47 8.84 2f16V1 GLN 22 HA 0.01 0.07 0.81 -0.75 4.36 4.50 2f16V1 GLN 22 HB2 0.01 0.01 0.07 -0.04 2.15 2.20 2f16V1 GLN 22 HB3 0.01 -0.01 0.08 -0.04 2.02 2.05 2f16V1 GLN 22 HG2 0.01 0.01 0.13 -0.04 2.40 2.51 2f16V1 GLN 22 HG3 0.01 -0.03 -0.05 -0.04 2.39 2.28 2f16V1 GLN 22 HE21 0.01 0.01 -0.01 -0.04 6.97 6.94 2f16V1 GLN 22 HE22 0.01 -0.01 -0.02 -0.04 7.69 7.62 2f16V1 GLY 23 H 0.01 0.11 0.08 -0.55 8.43 8.09 2f16V1 GLY 23 HA2 0.01 0.03 0.35 -0.51 4.01 3.88 2f16V1 GLY 23 HA3 0.01 0.10 0.51 -0.51 4.01 4.11 2f16V1 PRO 24 HA 0.01 0.15 0.51 -0.51 4.44 4.59 2f16V1 PRO 24 HB2 0.01 0.03 0.12 -0.04 2.28 2.40 2f16V1 PRO 24 HB3 0.01 -0.00 0.08 -0.04 2.02 2.06 2f16V1 PRO 24 HG2 0.01 0.06 -0.02 -0.04 2.03 2.03 2f16V1 PRO 24 HG3 0.01 0.02 0.07 -0.04 2.03 2.08 2f16V1 PRO 24 HD2 0.01 0.13 0.27 -0.04 3.68 4.04 2f16V1 PRO 24 HD3 0.01 0.06 0.19 -0.04 3.65 3.87 2f16V1 ILE 25 H 0.01 0.46 -0.29 -0.55 8.25 7.88 2f16V1 ILE 25 HA 0.01 0.16 0.89 -0.75 4.18 4.48 2f16V1 ILE 25 HB 0.01 0.10 0.13 -0.04 1.89 2.09 2f16V1 ILE 25 HG12 0.01 -0.01 -0.01 -0.04 1.49 1.43 2f16V1 ILE 25 HG13 0.01 0.03 0.00 -0.04 1.21 1.21 2f16V1 ILE 25 HG23 0.01 -0.03 -0.31 -0.04 0.93 0.55 2f16V1 ILE 25 HD13 0.01 -0.02 -0.13 -0.04 0.88 0.69 2f16V1 VAL 26 H 0.01 0.17 0.13 -0.55 8.24 8.00 2f16V1 VAL 26 HA 0.01 0.14 0.61 -0.75 4.13 4.14 2f16V1 VAL 26 HB 0.01 -0.03 0.14 -0.04 2.12 2.19 2f16V1 VAL 26 HG13 0.00 -0.02 -0.26 -0.04 0.97 0.65 2f16V1 VAL 26 HG23 0.01 0.03 -0.01 -0.04 0.95 0.93 2f16V1 ALA 27 H 0.01 0.44 0.35 -0.55 8.40 8.65 2f16V1 ALA 27 HA 0.01 0.10 0.53 -0.75 4.34 4.22 2f16V1 ALA 27 HB3 0.01 -0.03 -0.05 -0.04 1.41 1.30 2f16V1 ASP 28 H 0.01 0.32 0.18 -0.55 8.40 8.36 2f16V1 ASP 28 HA 0.01 0.19 0.88 -0.75 4.63 4.95 2f16V1 ASP 28 HB2 0.01 0.03 -0.14 -0.04 2.71 2.58 2f16V1 ASP 28 HB3 0.01 -0.04 0.09 -0.04 2.70 2.72 2f16V1 LYS 29 H 0.01 0.19 0.11 -0.55 8.42 8.18 2f16V1 LYS 29 HA 0.00 0.15 0.72 -0.75 4.32 4.43 2f16V1 LYS 29 HB2 0.01 -0.00 0.08 -0.04 1.87 1.91 2f16V1 LYS 29 HB3 0.00 0.01 0.11 -0.04 1.79 1.87 2f16V1 LYS 29 HG2 0.01 0.02 -0.02 -0.04 1.46 1.43 2f16V1 LYS 29 HG3 0.01 0.01 -0.12 -0.04 1.46 1.31 2f16V1 LYS 29 HD2 0.01 0.01 0.02 -0.04 1.69 1.69 2f16V1 LYS 29 HD3 0.01 0.02 0.00 -0.04 1.68 1.67 2f16V1 LYS 29 HE2 0.01 0.03 -0.01 -0.04 2.99 2.98 2f16V1 LYS 29 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 2f16V1 ASN 30 H 0.01 -0.05 -0.19 -0.55 8.53 7.76 2f16V1 ASN 30 HA 0.00 0.17 0.68 -0.75 4.76 4.86 2f16V1 ASN 30 HB2 0.00 -0.00 -0.27 -0.04 2.88 2.57 2f16V1 ASN 30 HB3 0.01 -0.04 0.15 -0.04 2.79 2.87 2f16V1 ASN 30 HD21 -0.00 -0.02 0.00 -0.04 7.03 6.97 2f16V1 ASN 30 HD22 0.00 -0.01 0.01 -0.04 7.74 7.70 2f16V1 CYS 31 H 0.01 0.54 0.05 -0.55 8.50 8.55 2f16V1 CYS 31 HA 0.02 0.10 0.59 -0.75 4.58 4.54 2f16V1 CYS 31 HB2 0.02 -0.03 0.02 -0.04 2.97 2.94 2f16V1 CYS 31 HB3 0.02 -0.06 -0.00 -0.04 2.97 2.88 2f16V1 ALA 32 H 0.02 0.17 0.08 -0.55 8.40 8.12 2f16V1 ALA 32 HA 0.03 0.18 0.97 -0.75 4.34 4.77 2f16V1 ALA 32 HB3 0.05 0.02 0.07 -0.04 1.41 1.51 2f16V1 LYS 33 H 0.01 0.28 0.07 -0.55 8.42 8.23 2f16V1 LYS 33 HA -0.02 0.14 0.61 -0.75 4.32 4.30 2f16V1 LYS 33 HB2 0.04 0.01 0.08 -0.04 1.87 1.95 2f16V1 LYS 33 HB3 0.08 0.15 0.23 -0.04 1.79 2.21 2f16V1 LYS 33 HG2 0.05 -0.05 -0.15 -0.04 1.46 1.27 2f16V1 LYS 33 HG3 0.02 0.04 -0.13 -0.04 1.46 1.35 2f16V1 LYS 33 HD2 0.03 -0.04 0.01 -0.04 1.69 1.64 2f16V1 LYS 33 HD3 0.04 0.03 0.05 -0.04 1.68 1.75 2f16V1 LYS 33 HE2 0.02 -0.03 -0.15 -0.04 2.99 2.79 2f16V1 LYS 33 HE3 0.01 -0.05 -0.30 -0.04 2.99 2.61 2f16V1 LEU 34 H -0.05 0.05 -0.31 -0.55 8.37 7.51 2f16V1 LEU 34 HA 0.08 0.26 0.86 -0.75 4.35 4.80 2f16V1 LEU 34 HB2 0.22 -0.09 0.01 -0.04 1.64 1.73 2f16V1 LEU 34 HB3 0.26 0.02 -0.15 -0.04 1.64 1.72 2f16V1 LEU 34 HG 0.22 0.01 -0.22 -0.04 1.64 1.61 2f16V1 LEU 34 HD13 0.11 0.02 -0.28 -0.04 0.93 0.73 2f16V1 LEU 34 HD23 0.19 0.02 -0.35 -0.04 0.89 0.71 2f16V1 HIS 35 H 0.16 0.93 0.36 -0.55 8.41 9.32 2f16V1 HIS 35 HA -0.14 0.19 0.90 -0.75 4.63 4.82 2f16V1 HIS 35 HB2 -0.08 -0.06 -0.09 -0.04 3.26 2.99 2f16V1 HIS 35 HB3 -0.14 0.04 -0.08 -0.04 3.20 2.98 2f16V1 HIS 35 HD2 0.02 0.07 -0.23 -0.04 6.97 6.79 2f16V1 HIS 35 HE1 -0.00 -0.04 -0.14 -0.04 7.75 7.53 2f16V1 ARG 36 H -0.41 0.21 0.09 -0.55 8.46 7.79 2f16V1 ARG 36 HA -1.36 0.12 0.89 -0.75 4.34 3.23 2f16V1 ARG 36 HB2 -2.12 -0.02 -0.06 -0.04 1.90 -0.34 2f16V1 ARG 36 HB3 -0.68 -0.00 0.07 -0.04 1.80 1.15 2f16V1 ARG 36 HG2 -0.58 -0.02 -0.54 -0.04 1.67 0.49 2f16V1 ARG 36 HG3 -1.41 0.10 -0.15 -0.04 1.67 0.17 2f16V1 ARG 36 HD2 -0.13 -0.04 -0.26 -0.04 3.22 2.75 2f16V1 ARG 36 HD3 -0.30 -0.02 -0.10 -0.04 3.22 2.77 2f16V1 ILE 37 H -0.39 0.59 0.35 -0.55 8.25 8.26 2f16V1 ILE 37 HA -0.17 0.13 0.70 -0.75 4.18 4.08 2f16V1 ILE 37 HB -0.10 0.19 0.11 -0.04 1.89 2.05 2f16V1 ILE 37 HG12 -0.11 -0.05 -0.20 -0.04 1.49 1.08 2f16V1 ILE 37 HG13 -0.06 -0.06 -0.15 -0.04 1.21 0.90 2f16V1 ILE 37 HG23 -0.07 -0.04 -0.19 -0.04 0.93 0.59 2f16V1 ILE 37 HD13 -0.11 0.02 0.00 -0.04 0.88 0.75 2f16V1 SER 38 H -0.23 0.40 0.24 -0.55 8.46 8.33 2f16V1 SER 38 HA -0.09 0.21 0.55 -0.75 4.49 4.41 2f16V1 SER 38 HB2 -0.01 0.07 0.12 -0.04 3.95 4.08 2f16V1 SER 38 HB3 -0.04 0.06 -0.17 -0.04 3.93 3.74 2f16V1 PRO 39 HA 0.12 0.07 0.38 -0.51 4.44 4.51 2f16V1 PRO 39 HB2 0.09 0.02 0.10 -0.04 2.28 2.45 2f16V1 PRO 39 HB3 0.11 0.04 0.11 -0.04 2.02 2.24 2f16V1 PRO 39 HG2 0.04 0.08 0.09 -0.04 2.03 2.20 2f16V1 PRO 39 HG3 0.03 0.05 0.09 -0.04 2.03 2.17 2f16V1 PRO 39 HD2 0.02 0.11 0.18 -0.04 3.68 3.95 2f16V1 PRO 39 HD3 -0.01 0.17 0.20 -0.04 3.65 3.97 2f16V1 LYS 40 H 0.11 0.11 -0.25 -0.55 8.42 7.83 2f16V1 LYS 40 HA 0.34 0.22 1.07 -0.75 4.32 5.19 2f16V1 LYS 40 HB2 0.11 0.09 0.13 -0.04 1.87 2.16 2f16V1 LYS 40 HB3 0.13 -0.07 0.30 -0.04 1.79 2.11 2f16V1 LYS 40 HG2 0.13 -0.05 0.01 -0.04 1.46 1.52 2f16V1 LYS 40 HG3 0.13 -0.11 -0.22 -0.04 1.46 1.22 2f16V1 LYS 40 HD2 0.08 -0.01 -0.01 -0.04 1.69 1.70 2f16V1 LYS 40 HD3 0.08 0.05 -0.00 -0.04 1.68 1.76 2f16V1 LYS 40 HE2 0.07 0.20 0.11 -0.04 2.99 3.33 2f16V1 LYS 40 HE3 0.07 -0.11 -0.03 -0.04 2.99 2.88 2f16V1 ILE 41 H 0.11 0.45 -0.27 -0.55 8.25 7.99 2f16V1 ILE 41 HA 0.19 0.24 1.04 -0.75 4.18 4.90 2f16V1 ILE 41 HB -0.00 -0.13 0.09 -0.04 1.89 1.81 2f16V1 ILE 41 HG12 0.04 -0.05 -0.36 -0.04 1.49 1.08 2f16V1 ILE 41 HG13 0.10 0.05 -0.23 -0.04 1.21 1.09 2f16V1 ILE 41 HG23 0.06 0.01 -0.19 -0.04 0.93 0.77 2f16V1 ILE 41 HD13 0.07 -0.05 -0.48 -0.04 0.88 0.39 2f16V1 TRP 42 H 0.42 0.23 0.09 -0.55 7.97 8.16 2f16V1 TRP 42 HA 0.01 0.16 1.12 -0.75 4.62 5.15 2f16V1 TRP 42 HB2 0.03 -0.05 -0.05 -0.04 3.23 3.12 2f16V1 TRP 42 HB3 -0.00 0.04 -0.02 -0.04 3.23 3.21 2f16V1 TRP 42 HD1 0.02 -0.16 -0.38 -0.04 7.22 6.66 2f16V1 TRP 42 HE1 0.00 0.49 0.03 -0.04 10.20 10.68 2f16V1 TRP 42 HE3 -0.19 0.01 -0.35 -0.04 7.59 7.02 2f16V1 TRP 42 HZ2 -0.05 0.04 -0.05 -0.04 7.44 7.34 2f16V1 TRP 42 HZ3 -1.13 0.04 -0.22 -0.04 7.13 5.78 2f16V1 TRP 42 HH2 -0.40 0.00 -0.07 -0.04 7.19 6.68 2f16V1 CYS 43 H 0.17 0.82 0.38 -0.55 8.50 9.32 2f16V1 CYS 43 HA 0.14 0.26 1.06 -0.75 4.58 5.29 2f16V1 CYS 43 HB2 0.04 -0.02 -0.27 -0.04 2.97 2.67 2f16V1 CYS 43 HB3 0.08 -0.03 -0.07 -0.04 2.97 2.91 2f16V1 ALA 44 H 0.12 0.62 0.31 -0.55 8.40 8.91 2f16V1 ALA 44 HA 0.16 0.30 0.96 -0.75 4.34 5.00 2f16V1 ALA 44 HB3 0.10 -0.02 0.08 -0.04 1.41 1.52 2f16V1 GLY 45 H 0.19 0.64 0.28 -0.55 8.43 9.00 2f16V1 GLY 45 HA2 0.08 0.26 1.10 -0.51 4.01 4.94 2f16V1 GLY 45 HA3 0.12 -0.03 0.22 -0.51 4.01 3.81 2f16V1 ALA 46 H 0.10 0.66 0.38 -0.55 8.40 9.00 2f16V1 ALA 46 HA 0.07 0.16 0.76 -0.75 4.34 4.56 2f16V1 ALA 46 HB3 0.04 -0.01 -0.08 -0.04 1.41 1.32 2f16V1 GLY 47 H 0.05 0.22 0.17 -0.55 8.43 8.32 2f16V1 GLY 47 HA2 0.09 0.01 0.35 -0.51 4.01 3.96 2f16V1 GLY 47 HA3 0.29 0.30 1.00 -0.51 4.01 5.08 2f16V1 THR 48 H 0.09 0.80 0.29 -0.55 8.28 8.91 2f16V1 THR 48 HA 0.04 0.15 0.82 -0.75 4.39 4.64 2f16V1 THR 48 HB 0.01 -0.05 0.23 -0.04 4.32 4.47 2f16V1 THR 48 HG23 0.01 -0.04 -0.00 -0.04 1.22 1.15 2f16V1 ALA 49 H 0.03 0.29 0.14 -0.55 8.40 8.32 2f16V1 ALA 49 HA 0.05 0.08 0.21 -0.75 4.34 3.92 2f16V1 ALA 49 HB3 0.03 0.03 0.07 -0.04 1.41 1.50 2f16V1 ALA 50 H 0.01 0.13 -0.12 -0.55 8.40 7.87 2f16V1 ALA 50 HA -0.01 0.08 0.36 -0.75 4.34 4.02 2f16V1 ALA 50 HB3 -0.01 0.02 0.04 -0.04 1.41 1.43 2f16V1 ASP 51 H -0.02 0.16 -0.35 -0.55 8.40 7.65 2f16V1 ASP 51 HA -0.07 0.05 0.41 -0.75 4.63 4.26 2f16V1 ASP 51 HB2 -0.03 0.18 0.05 -0.04 2.71 2.88 2f16V1 ASP 51 HB3 -0.07 -0.02 -0.33 -0.04 2.70 2.24 2f16V1 THR 52 H -0.03 0.53 -0.13 -0.55 8.28 8.10 2f16V1 THR 52 HA -0.11 -0.01 0.24 -0.75 4.39 3.75 2f16V1 THR 52 HB -0.10 -0.02 -0.13 -0.04 4.32 4.02 2f16V1 THR 52 HG23 0.02 -0.02 -0.22 -0.04 1.22 0.96 2f16V1 GLU 53 H -0.07 0.56 -0.26 -0.55 8.60 8.28 2f16V1 GLU 53 HA -0.30 0.04 0.36 -0.75 4.29 3.64 2f16V1 GLU 53 HB2 0.06 0.01 0.02 -0.04 2.09 2.14 2f16V1 GLU 53 HB3 -0.02 0.09 0.10 -0.04 1.99 2.11 2f16V1 GLU 53 HG2 0.02 -0.02 -0.06 -0.04 2.34 2.24 2f16V1 GLU 53 HG3 -0.03 -0.00 -0.28 -0.04 2.34 1.99 2f16V1 ALA 54 H -0.08 0.56 -0.10 -0.55 8.40 8.23 2f16V1 ALA 54 HA -0.08 0.02 0.40 -0.75 4.34 3.92 2f16V1 ALA 54 HB3 -0.07 0.01 0.10 -0.04 1.41 1.40 2f16V1 VAL 55 H -0.12 0.65 -0.07 -0.55 8.24 8.14 2f16V1 VAL 55 HA -0.21 0.03 0.40 -0.75 4.13 3.60 2f16V1 VAL 55 HB -0.09 0.06 0.05 -0.04 2.12 2.11 2f16V1 VAL 55 HG13 -0.12 0.02 -0.15 -0.04 0.97 0.68 2f16V1 VAL 55 HG23 -0.10 -0.01 -0.03 -0.04 0.95 0.78 2f16V1 THR 56 H -0.20 0.43 -0.40 -0.55 8.28 7.56 2f16V1 THR 56 HA -0.15 -0.02 0.32 -0.75 4.39 3.78 2f16V1 THR 56 HB -0.38 0.33 0.16 -0.04 4.32 4.38 2f16V1 THR 56 HG23 -0.16 -0.02 -0.30 -0.04 1.22 0.70 2f16V1 GLN 57 H -0.14 0.46 -0.21 -0.55 8.47 8.04 2f16V1 GLN 57 HA -0.10 0.12 0.58 -0.75 4.36 4.20 2f16V1 GLN 57 HB2 -0.08 0.07 0.11 -0.04 2.15 2.21 2f16V1 GLN 57 HB3 -0.07 -0.05 0.03 -0.04 2.02 1.89 2f16V1 GLN 57 HG2 -0.06 -0.03 -0.00 -0.04 2.40 2.27 2f16V1 GLN 57 HG3 -0.08 0.31 0.07 -0.04 2.39 2.65 2f16V1 GLN 57 HE21 -0.02 -0.02 -0.02 -0.04 6.97 6.86 2f16V1 GLN 57 HE22 -0.03 0.01 -0.01 -0.04 7.69 7.61 2f16V1 LEU 58 H -0.13 0.51 -0.13 -0.55 8.37 8.08 2f16V1 LEU 58 HA -0.09 0.03 0.44 -0.75 4.35 3.97 2f16V1 LEU 58 HB2 -0.14 0.08 0.12 -0.04 1.64 1.65 2f16V1 LEU 58 HB3 -0.23 0.05 0.16 -0.04 1.64 1.58 2f16V1 LEU 58 HG -0.16 -0.03 -0.22 -0.04 1.64 1.20 2f16V1 LEU 58 HD13 -0.07 -0.01 0.03 -0.04 0.93 0.84 2f16V1 LEU 58 HD23 -0.28 0.00 -0.04 -0.04 0.89 0.54 2f16V1 ILE 59 H -0.16 0.58 -0.07 -0.55 8.25 8.05 2f16V1 ILE 59 HA -0.11 0.02 0.40 -0.75 4.18 3.73 2f16V1 ILE 59 HB -0.12 0.17 0.09 -0.04 1.89 1.98 2f16V1 ILE 59 HG12 -0.09 -0.05 -0.18 -0.04 1.49 1.12 2f16V1 ILE 59 HG13 -0.11 -0.04 -0.10 -0.04 1.21 0.92 2f16V1 ILE 59 HG23 -0.09 0.00 -0.16 -0.04 0.93 0.65 2f16V1 ILE 59 HD13 -0.23 0.02 -0.07 -0.04 0.88 0.56 2f16V1 GLY 60 H -0.11 0.36 -0.42 -0.55 8.43 7.71 2f16V1 GLY 60 HA2 -0.09 -0.00 0.45 -0.51 4.01 3.86 2f16V1 GLY 60 HA3 -0.10 0.17 0.42 -0.51 4.01 3.99 2f16V1 SER 61 H -0.08 0.64 -0.18 -0.55 8.46 8.30 2f16V1 SER 61 HA -0.04 -0.00 0.45 -0.75 4.49 4.14 2f16V1 SER 61 HB2 -0.05 0.05 0.17 -0.04 3.95 4.07 2f16V1 SER 61 HB3 -0.06 0.14 0.25 -0.04 3.93 4.23 2f16V1 ASN 62 H -0.06 0.63 -0.02 -0.55 8.53 8.54 2f16V1 ASN 62 HA -0.02 -0.01 0.43 -0.75 4.76 4.41 2f16V1 ASN 62 HB2 -0.06 0.08 0.13 -0.04 2.88 2.98 2f16V1 ASN 62 HB3 -0.04 -0.05 0.00 -0.04 2.79 2.66 2f16V1 ASN 62 HD21 -0.05 -0.04 -0.04 -0.04 7.03 6.86 2f16V1 ASN 62 HD22 -0.08 -0.01 -0.10 -0.04 7.74 7.51 2f16V1 ILE 63 H -0.05 0.70 -0.28 -0.55 8.25 8.07 2f16V1 ILE 63 HA -0.02 -0.05 0.42 -0.75 4.18 3.79 2f16V1 ILE 63 HB -0.05 0.26 0.18 -0.04 1.89 2.24 2f16V1 ILE 63 HG12 -0.08 -0.11 -0.07 -0.04 1.49 1.19 2f16V1 ILE 63 HG13 -0.08 0.17 -0.02 -0.04 1.21 1.24 2f16V1 ILE 63 HG23 -0.01 -0.04 -0.19 -0.04 0.93 0.64 2f16V1 ILE 63 HD13 -0.06 -0.05 -0.14 -0.04 0.88 0.59 2f16V1 GLU 64 H -0.02 0.63 -0.09 -0.55 8.60 8.57 2f16V1 GLU 64 HA 0.01 -0.01 0.50 -0.75 4.29 4.03 2f16V1 GLU 64 HB2 -0.02 0.07 0.19 -0.04 2.09 2.29 2f16V1 GLU 64 HB3 -0.01 0.17 0.26 -0.04 1.99 2.37 2f16V1 GLU 64 HG2 0.01 -0.03 -0.19 -0.04 2.34 2.08 2f16V1 GLU 64 HG3 0.00 -0.05 0.07 -0.04 2.34 2.32 2f16V1 LEU 65 H 0.02 0.57 -0.02 -0.55 8.37 8.39 2f16V1 LEU 65 HA 0.04 0.00 0.45 -0.75 4.35 4.08 2f16V1 LEU 65 HB2 0.02 0.10 0.15 -0.04 1.64 1.87 2f16V1 LEU 65 HB3 0.03 -0.04 0.04 -0.04 1.64 1.63 2f16V1 LEU 65 HG 0.00 0.16 0.07 -0.04 1.64 1.83 2f16V1 LEU 65 HD13 0.00 -0.02 -0.03 -0.04 0.93 0.84 2f16V1 LEU 65 HD23 0.02 -0.02 0.01 -0.04 0.89 0.86 2f16V1 HIS 66 H 0.11 0.59 -0.24 -0.55 8.41 8.33 2f16V1 HIS 66 HA -0.02 0.01 0.44 -0.75 4.63 4.31 2f16V1 HIS 66 HB2 -0.05 0.05 0.10 -0.04 3.26 3.33 2f16V1 HIS 66 HB3 -0.02 0.08 0.14 -0.04 3.20 3.36 2f16V1 HIS 66 HD2 -0.10 0.00 -0.01 -0.04 6.97 6.81 2f16V1 HIS 66 HE1 -0.00 -0.03 -0.07 -0.04 7.75 7.61 2f16V1 SER 67 H 0.10 0.58 -0.16 -0.55 8.46 8.43 2f16V1 SER 67 HA 0.06 0.03 0.42 -0.75 4.49 4.24 2f16V1 SER 67 HB2 0.06 -0.02 0.17 -0.04 3.95 4.13 2f16V1 SER 67 HB3 0.04 0.12 0.24 -0.04 3.93 4.29 2f16V1 LEU 68 H 0.04 0.56 -0.05 -0.55 8.37 8.37 2f16V1 LEU 68 HA 0.01 0.00 0.43 -0.75 4.35 4.04 2f16V1 LEU 68 HB2 0.04 0.10 0.20 -0.04 1.64 1.94 2f16V1 LEU 68 HB3 0.03 -0.01 -0.03 -0.04 1.64 1.59 2f16V1 LEU 68 HG 0.01 -0.03 0.03 -0.04 1.64 1.60 2f16V1 LEU 68 HD13 0.01 -0.00 0.01 -0.04 0.93 0.91 2f16V1 LEU 68 HD23 0.02 0.01 -0.03 -0.04 0.89 0.84 2f16V1 TYR 69 H 0.11 0.49 -0.22 -0.55 8.29 8.12 2f16V1 TYR 69 HA -0.05 0.02 0.45 -0.75 4.56 4.23 2f16V1 TYR 69 HB2 -0.05 0.03 0.14 -0.04 3.06 3.13 2f16V1 TYR 69 HB3 -0.14 0.07 0.13 -0.04 2.98 3.01 2f16V1 TYR 69 HD2 -0.08 0.03 -0.18 -0.04 7.15 6.87 2f16V1 TYR 69 HE2 -0.03 -0.03 -0.01 -0.04 6.85 6.74 2f16V1 THR 70 H -0.01 0.40 -0.26 -0.55 8.28 7.86 2f16V1 THR 70 HA 0.01 0.18 0.94 -0.75 4.39 4.76 2f16V1 THR 70 HB -0.03 -0.07 0.11 -0.04 4.32 4.29 2f16V1 THR 70 HG23 -0.27 0.01 -0.05 -0.04 1.22 0.87 2f16V1 SER 71 H -0.01 0.34 -0.21 -0.55 8.46 8.03 2f16V1 SER 71 HA -0.00 0.02 0.33 -0.75 4.49 4.07 2f16V1 SER 71 HB2 -0.02 0.13 -0.10 -0.04 3.95 3.92 2f16V1 SER 71 HB3 -0.01 -0.09 0.20 -0.04 3.93 3.98 2f16V1 ARG 72 H 0.01 0.23 -0.23 -0.55 8.46 7.92 2f16V1 ARG 72 HA 0.02 0.15 0.93 -0.75 4.34 4.68 2f16V1 ARG 72 HB2 0.03 -0.05 -0.10 -0.04 1.90 1.74 2f16V1 ARG 72 HB3 0.04 0.00 0.01 -0.04 1.80 1.82 2f16V1 ARG 72 HG2 0.02 -0.03 -0.00 -0.04 1.67 1.62 2f16V1 ARG 72 HG3 0.01 0.35 -0.24 -0.04 1.67 1.76 2f16V1 ARG 72 HD2 0.03 -0.03 -0.04 -0.04 3.22 3.15 2f16V1 ARG 72 HD3 0.04 -0.07 -0.02 -0.04 3.22 3.13 2f16V1 GLU 73 H 0.04 0.09 0.14 -0.55 8.60 8.32 2f16V1 GLU 73 HA 0.04 0.09 0.50 -0.75 4.29 4.17 2f16V1 GLU 73 HB2 0.05 -0.07 0.13 -0.04 2.09 2.15 2f16V1 GLU 73 HB3 0.05 0.07 0.10 -0.04 1.99 2.16 2f16V1 GLU 73 HG2 0.03 -0.02 0.09 -0.04 2.34 2.41 2f16V1 GLU 73 HG3 0.04 0.00 0.05 -0.04 2.34 2.40 2f16V1 PRO 74 HA 0.07 0.06 0.41 -0.51 4.44 4.47 2f16V1 PRO 74 HB2 0.03 -0.06 -0.11 -0.04 2.28 2.09 2f16V1 PRO 74 HB3 0.02 0.04 0.01 -0.04 2.02 2.05 2f16V1 PRO 74 HG2 0.02 -0.02 0.04 -0.04 2.03 2.03 2f16V1 PRO 74 HG3 0.05 0.16 0.07 -0.04 2.03 2.26 2f16V1 PRO 74 HD2 0.04 0.02 0.19 -0.04 3.68 3.89 2f16V1 PRO 74 HD3 0.04 0.17 0.28 -0.04 3.65 4.10 2f16V1 ARG 75 H 0.01 0.14 0.13 -0.55 8.46 8.19 2f16V1 ARG 75 HA 0.03 0.23 0.82 -0.75 4.34 4.66 2f16V1 ARG 75 HB2 -0.02 -0.08 0.02 -0.04 1.90 1.78 2f16V1 ARG 75 HB3 -0.04 -0.07 0.00 -0.04 1.80 1.65 2f16V1 ARG 75 HG2 0.04 0.08 -0.16 -0.04 1.67 1.59 2f16V1 ARG 75 HG3 0.04 0.10 -0.04 -0.04 1.67 1.72 2f16V1 ARG 75 HD2 0.01 -0.01 -0.05 -0.04 3.22 3.12 2f16V1 ARG 75 HD3 0.02 -0.05 -0.05 -0.04 3.22 3.10 2f16V1 VAL 76 H -0.01 0.25 -0.04 -0.55 8.24 7.89 2f16V1 VAL 76 HA 0.04 0.11 0.24 -0.75 4.13 3.77 2f16V1 VAL 76 HB -0.03 0.00 -0.10 -0.04 2.12 1.95 2f16V1 VAL 76 HG13 0.26 0.01 -0.33 -0.04 0.97 0.87 2f16V1 VAL 76 HG23 0.15 0.06 -0.25 -0.04 0.95 0.87 2f16V1 VAL 77 H -0.13 0.13 -0.24 -0.55 8.24 7.45 2f16V1 VAL 77 HA -0.22 0.10 0.24 -0.75 4.13 3.48 2f16V1 VAL 77 HB -0.13 0.06 -0.04 -0.04 2.12 1.97 2f16V1 VAL 77 HG13 -0.10 0.02 -0.06 -0.04 0.97 0.79 2f16V1 VAL 77 HG23 -0.08 0.00 -0.13 -0.04 0.95 0.70 2f16V1 SER 78 H -0.08 0.25 -0.65 -0.55 8.46 7.44 2f16V1 SER 78 HA -0.12 0.12 0.52 -0.75 4.49 4.26 2f16V1 SER 78 HB2 -0.10 0.14 0.09 -0.04 3.95 4.04 2f16V1 SER 78 HB3 -0.20 0.04 -0.03 -0.04 3.93 3.70 2f16V1 ALA 79 H -0.06 0.35 -0.08 -0.55 8.40 8.05 2f16V1 ALA 79 HA -0.08 0.06 0.35 -0.75 4.34 3.92 2f16V1 ALA 79 HB3 -0.03 0.03 -0.02 -0.04 1.41 1.35 2f16V1 LEU 80 H -0.10 0.49 -0.36 -0.55 8.37 7.86 2f16V1 LEU 80 HA -0.10 0.01 0.24 -0.75 4.35 3.75 2f16V1 LEU 80 HB2 -0.25 0.03 -0.07 -0.04 1.64 1.32 2f16V1 LEU 80 HB3 -0.32 0.10 -0.02 -0.04 1.64 1.36 2f16V1 LEU 80 HG -0.28 0.01 -0.16 -0.04 1.64 1.16 2f16V1 LEU 80 HD13 -0.14 -0.01 -0.10 -0.04 0.93 0.64 2f16V1 LEU 80 HD23 -1.32 -0.00 -0.11 -0.04 0.89 -0.59 2f16V1 GLN 81 H -0.13 0.32 -0.37 -0.55 8.47 7.74 2f16V1 GLN 81 HA -0.10 0.07 0.49 -0.75 4.36 4.06 2f16V1 GLN 81 HB2 -0.12 0.14 0.13 -0.04 2.15 2.25 2f16V1 GLN 81 HB3 -0.10 0.03 0.07 -0.04 2.02 1.98 2f16V1 GLN 81 HG2 -0.08 -0.00 -0.04 -0.04 2.40 2.24 2f16V1 GLN 81 HG3 -0.08 -0.03 -0.01 -0.04 2.39 2.23 2f16V1 GLN 81 HE21 -0.08 -0.01 -0.02 -0.04 6.97 6.82 2f16V1 GLN 81 HE22 -0.07 0.00 -0.02 -0.04 7.69 7.56 2f16V1 MET 82 H -0.09 0.55 -0.11 -0.55 8.47 8.28 2f16V1 MET 82 HA -0.04 0.05 0.41 -0.75 4.52 4.19 2f16V1 MET 82 HB2 -0.08 0.05 0.12 -0.04 2.15 2.20 2f16V1 MET 82 HB3 -0.07 -0.04 0.00 -0.04 2.03 1.88 2f16V1 MET 82 HG2 -0.09 -0.03 -0.01 -0.04 2.63 2.45 2f16V1 MET 82 HG3 -0.11 0.15 0.09 -0.04 2.56 2.64 2f16V1 MET 82 HE3 -0.09 -0.00 -0.11 -0.04 2.10 1.86 2f16V1 LEU 83 H -0.06 0.61 -0.15 -0.55 8.37 8.23 2f16V1 LEU 83 HA -0.02 0.02 0.37 -0.75 4.35 3.96 2f16V1 LEU 83 HB2 -0.04 0.06 0.06 -0.04 1.64 1.67 2f16V1 LEU 83 HB3 -0.03 -0.05 -0.13 -0.04 1.64 1.39 2f16V1 LEU 83 HG -0.06 0.14 0.01 -0.04 1.64 1.68 2f16V1 LEU 83 HD13 -0.04 -0.03 -0.23 -0.04 0.93 0.59 2f16V1 LEU 83 HD23 -0.09 -0.02 -0.14 -0.04 0.89 0.61 2f16V1 LYS 84 H -0.03 0.52 -0.19 -0.55 8.42 8.16 2f16V1 LYS 84 HA 0.03 -0.02 0.33 -0.75 4.32 3.91 2f16V1 LYS 84 HB2 -0.01 0.16 0.06 -0.04 1.87 2.05 2f16V1 LYS 84 HB3 -0.04 0.04 0.10 -0.04 1.79 1.84 2f16V1 LYS 84 HG2 -0.08 0.07 0.17 -0.04 1.46 1.58 2f16V1 LYS 84 HG3 -0.04 0.05 -0.04 -0.04 1.46 1.39 2f16V1 LYS 84 HD2 -0.10 -0.06 -0.02 -0.04 1.69 1.48 2f16V1 LYS 84 HD3 -0.07 0.05 -0.04 -0.04 1.68 1.57 2f16V1 LYS 84 HE2 -0.06 0.03 -0.02 -0.04 2.99 2.90 2f16V1 LYS 84 HE3 -0.12 -0.04 -0.05 -0.04 2.99 2.74 2f16V1 GLN 85 H 0.01 0.54 -0.24 -0.55 8.47 8.23 2f16V1 GLN 85 HA 0.07 0.06 0.54 -0.75 4.36 4.27 2f16V1 GLN 85 HB2 0.02 0.07 0.08 -0.04 2.15 2.28 2f16V1 GLN 85 HB3 0.02 -0.06 0.07 -0.04 2.02 2.01 2f16V1 GLN 85 HG2 -0.06 -0.05 0.02 -0.04 2.40 2.27 2f16V1 GLN 85 HG3 -0.04 0.30 0.14 -0.04 2.39 2.76 2f16V1 GLN 85 HE21 -0.06 -0.03 -0.02 -0.04 6.97 6.81 2f16V1 GLN 85 HE22 -0.08 -0.01 -0.00 -0.04 7.69 7.55 2f16V1 HIS 86 H 0.15 0.39 -0.32 -0.55 8.41 8.07 2f16V1 HIS 86 HA 0.09 0.03 0.49 -0.75 4.63 4.49 2f16V1 HIS 86 HB2 0.02 0.10 0.13 -0.04 3.26 3.47 2f16V1 HIS 86 HB3 0.01 0.11 0.21 -0.04 3.20 3.48 2f16V1 HIS 86 HD2 0.08 0.01 0.00 -0.04 6.97 7.01 2f16V1 HIS 86 HE1 -0.20 -0.04 -0.07 -0.04 7.75 7.39 2f16V1 LEU 87 H 0.14 0.65 0.03 -0.55 8.37 8.65 2f16V1 LEU 87 HA 0.03 -0.04 0.41 -0.75 4.35 3.99 2f16V1 LEU 87 HB2 0.04 0.02 0.05 -0.04 1.64 1.71 2f16V1 LEU 87 HB3 -0.03 0.23 -0.06 -0.04 1.64 1.73 2f16V1 LEU 87 HG 0.06 0.11 0.02 -0.04 1.64 1.78 2f16V1 LEU 87 HD13 -0.07 -0.03 -0.21 -0.04 0.93 0.59 2f16V1 LEU 87 HD23 -0.03 -0.01 0.02 -0.04 0.89 0.83 2f16V1 PHE 88 H 0.18 0.53 -0.25 -0.55 8.34 8.25 2f16V1 PHE 88 HA -0.01 0.28 0.35 -0.75 4.62 4.49 2f16V1 PHE 88 HB2 -0.01 0.09 0.23 -0.04 3.15 3.41 2f16V1 PHE 88 HB3 -0.03 0.02 0.13 -0.04 3.06 3.14 2f16V1 PHE 88 HD2 -0.02 0.06 -0.04 -0.04 7.28 7.25 2f16V1 PHE 88 HE2 -0.02 -0.05 -0.01 -0.04 7.38 7.27 2f16V1 PHE 88 HZ -0.02 -0.04 0.01 -0.04 7.32 7.23 2f16V1 LYS 89 H 0.07 0.38 -0.37 -0.55 8.42 7.95 2f16V1 LYS 89 HA -0.11 -0.02 0.43 -0.75 4.32 3.87 2f16V1 LYS 89 HB2 -0.03 0.17 0.23 -0.04 1.87 2.20 2f16V1 LYS 89 HB3 -0.21 0.16 0.17 -0.04 1.79 1.87 2f16V1 LYS 89 HG2 -0.50 -0.04 -0.06 -0.04 1.46 0.82 2f16V1 LYS 89 HG3 -0.17 -0.05 0.09 -0.04 1.46 1.30 2f16V1 LYS 89 HD2 -0.12 -0.06 0.01 -0.04 1.69 1.48 2f16V1 LYS 89 HD3 -0.05 0.00 0.03 -0.04 1.68 1.63 2f16V1 LYS 89 HE2 -0.09 0.11 0.09 -0.04 2.99 3.06 2f16V1 LYS 89 HE3 -0.10 -0.04 -0.00 -0.04 2.99 2.81 2f16V1 TYR 90 H -0.03 0.42 -0.34 -0.55 8.29 7.79 2f16V1 TYR 90 HA -0.09 0.13 0.65 -0.75 4.56 4.50 2f16V1 TYR 90 HB2 -0.17 0.13 0.15 -0.04 3.06 3.14 2f16V1 TYR 90 HB3 -0.06 -0.20 0.19 -0.04 2.98 2.86 2f16V1 TYR 90 HD2 -0.28 0.15 0.01 -0.04 7.15 7.00 2f16V1 TYR 90 HE2 -0.24 -0.02 -0.03 -0.04 6.85 6.52 2f16V1 GLN 91 H -0.27 0.55 -0.49 -0.55 8.47 7.72 2f16V1 GLN 91 HA -0.27 0.12 0.37 -0.75 4.36 3.84 2f16V1 GLN 91 HB2 -0.05 -0.02 -0.16 -0.04 2.15 1.88 2f16V1 GLN 91 HB3 -0.13 -0.06 0.23 -0.04 2.02 2.02 2f16V1 GLN 91 HG2 -0.24 0.18 0.05 -0.04 2.40 2.35 2f16V1 GLN 91 HG3 -0.11 -0.07 0.04 -0.04 2.39 2.21 2f16V1 GLN 91 HE21 -0.72 -0.09 0.07 -0.04 6.97 6.18 2f16V1 GLN 91 HE22 -0.70 0.20 0.12 -0.04 7.69 7.27 2f16V1 GLY 93 H -0.25 0.35 -0.31 -0.55 8.43 7.67 2f16V1 GLY 93 HA2 -0.54 0.05 -0.07 -0.51 4.01 2.93 2f16V1 GLY 93 HA3 -1.00 0.05 0.45 -0.51 4.01 3.00 2f16V1 HIS 94 H -0.19 0.88 -0.16 -0.55 8.41 8.39 2f16V1 HIS 94 HA -0.05 0.03 0.42 -0.75 4.63 4.27 2f16V1 HIS 94 HB2 0.04 0.10 0.10 -0.04 3.26 3.47 2f16V1 HIS 94 HB3 -0.01 -0.10 0.08 -0.04 3.20 3.13 2f16V1 HIS 94 HD2 -0.02 0.05 -0.10 -0.04 6.97 6.85 2f16V1 HIS 94 HE1 0.00 -0.05 -0.01 -0.04 7.75 7.65 2f16V1 ILE 95 H -0.06 0.20 -0.33 -0.55 8.25 7.50 2f16V1 ILE 95 HA -0.08 0.08 0.78 -0.75 4.18 4.21 2f16V1 ILE 95 HB -0.11 0.07 0.15 -0.04 1.89 1.96 2f16V1 ILE 95 HG12 -0.23 -0.03 -0.01 -0.04 1.49 1.18 2f16V1 ILE 95 HG13 -0.28 0.01 -0.14 -0.04 1.21 0.75 2f16V1 ILE 95 HG23 -0.09 -0.04 -0.12 -0.04 0.93 0.63 2f16V1 ILE 95 HD13 -0.68 0.01 -0.04 -0.04 0.88 0.14 2f16V1 GLY 96 H -0.04 0.21 0.02 -0.55 8.43 8.07 2f16V1 GLY 96 HA2 -0.12 0.16 0.33 -0.51 4.01 3.87 2f16V1 GLY 96 HA3 0.03 -0.05 0.42 -0.51 4.01 3.89 2f16V1 ALA 97 H -0.28 0.72 0.23 -0.55 8.40 8.52 2f16V1 ALA 97 HA -0.07 0.15 0.90 -0.75 4.34 4.57 2f16V1 ALA 97 HB3 -0.11 0.01 -0.18 -0.04 1.41 1.08 2f16V1 TYR 98 H 0.08 0.55 0.25 -0.55 8.29 8.63 2f16V1 TYR 98 HA -0.10 0.24 0.92 -0.75 4.56 4.87 2f16V1 TYR 98 HB2 -0.06 -0.03 0.09 -0.04 3.06 3.02 2f16V1 TYR 98 HB3 -0.16 0.00 0.05 -0.04 2.98 2.82 2f16V1 TYR 98 HD2 -0.12 0.12 -0.03 -0.04 7.15 7.08 2f16V1 TYR 98 HE2 0.08 0.01 -0.01 -0.04 6.85 6.89 2f16V1 LEU 99 H -0.02 0.50 0.22 -0.55 8.37 8.52 2f16V1 LEU 99 HA 0.05 0.41 1.26 -0.75 4.35 5.31 2f16V1 LEU 99 HB2 0.01 -0.07 -0.14 -0.04 1.64 1.40 2f16V1 LEU 99 HB3 0.02 0.06 -0.12 -0.04 1.64 1.56 2f16V1 LEU 99 HG -0.05 -0.01 -0.37 -0.04 1.64 1.17 2f16V1 LEU 99 HD13 -0.05 0.00 -0.22 -0.04 0.93 0.62 2f16V1 LEU 99 HD23 -0.03 0.03 -0.33 -0.04 0.89 0.51 2f16V1 ILE 100 H 0.07 0.67 0.27 -0.55 8.25 8.71 2f16V1 ILE 100 HA 0.07 0.23 0.96 -0.75 4.18 4.68 2f16V1 ILE 100 HB 0.08 -0.07 0.18 -0.04 1.89 2.03 2f16V1 ILE 100 HG12 0.05 -0.01 -0.26 -0.04 1.49 1.22 2f16V1 ILE 100 HG13 0.05 -0.02 -0.36 -0.04 1.21 0.84 2f16V1 ILE 100 HG23 0.06 0.02 -0.25 -0.04 0.93 0.72 2f16V1 ILE 100 HD13 0.03 0.00 -0.27 -0.04 0.88 0.60 2f16V1 VAL 101 H 0.12 0.27 -0.11 -0.55 8.24 7.97 2f16V1 VAL 101 HA 0.11 0.22 1.05 -0.75 4.13 4.76 2f16V1 VAL 101 HB 0.07 -0.03 -0.17 -0.04 2.12 1.95 2f16V1 VAL 101 HG13 0.17 -0.02 -0.17 -0.04 0.97 0.90 2f16V1 VAL 101 HG23 0.10 0.01 -0.28 -0.04 0.95 0.74 2f16V1 ALA 102 H 0.14 0.72 0.33 -0.55 8.40 9.05 2f16V1 ALA 102 HA 0.08 0.18 0.81 -0.75 4.34 4.65 2f16V1 ALA 102 HB3 0.08 -0.02 -0.02 -0.04 1.41 1.42 2f16V1 GLY 103 H 0.08 0.41 0.32 -0.55 8.43 8.70 2f16V1 GLY 103 HA2 0.14 0.02 0.42 -0.51 4.01 4.09 2f16V1 GLY 103 HA3 0.15 0.13 0.80 -0.51 4.01 4.58 2f16V1 VAL 104 H 0.12 0.54 0.34 -0.55 8.24 8.70 2f16V1 VAL 104 HA 0.08 0.26 1.11 -0.75 4.13 4.82 2f16V1 VAL 104 HB 0.03 0.08 -0.04 -0.04 2.12 2.16 2f16V1 VAL 104 HG13 -0.01 -0.07 -0.33 -0.04 0.97 0.52 2f16V1 VAL 104 HG23 0.07 0.04 -0.04 -0.04 0.95 0.97 2f16V1 ASP 105 H 0.11 0.63 0.35 -0.55 8.40 8.94 2f16V1 ASP 105 HA 0.08 0.21 0.63 -0.75 4.63 4.79 2f16V1 ASP 105 HB2 0.07 0.15 0.11 -0.04 2.71 3.00 2f16V1 ASP 105 HB3 0.09 0.10 -0.10 -0.04 2.70 2.75 2f16V1 PRO 10 HA 0.04 0.10 0.41 -0.51 4.44 4.49 2f16V1 PRO 10 HB2 0.05 -0.00 0.03 -0.04 2.28 2.31 2f16V1 PRO 10 HB3 0.04 0.06 0.11 -0.04 2.02 2.19 2f16V1 PRO 10 HG2 0.04 0.07 0.09 -0.04 2.03 2.20 2f16V1 PRO 10 HG3 0.04 0.05 0.12 -0.04 2.03 2.20 2f16V1 PRO 10 HD2 0.06 0.11 0.06 -0.04 3.68 3.87 2f16V1 PRO 10 HD3 0.06 0.15 0.15 -0.04 3.65 3.97 2f16V1 THR 106 H 0.11 -0.02 -0.49 -0.55 8.28 7.33 2f16V1 THR 106 HA 0.07 0.22 0.71 -0.75 4.39 4.63 2f16V1 THR 106 HB 0.11 0.03 0.11 -0.04 4.32 4.53 2f16V1 THR 106 HG23 0.06 -0.00 -0.07 -0.04 1.22 1.17 2f16V1 GLY 107 H 0.08 0.70 -0.05 -0.55 8.43 8.61 2f16V1 GLY 107 HA2 -0.04 0.03 0.31 -0.51 4.01 3.80 2f16V1 GLY 107 HA3 -0.10 0.22 1.00 -0.51 4.01 4.62 2f16V1 SER 108 H -0.26 0.18 0.20 -0.55 8.46 8.04 2f16V1 SER 108 HA -0.12 0.27 1.11 -0.75 4.49 5.00 2f16V1 SER 108 HB2 -0.16 -0.01 -0.03 -0.04 3.95 3.70 2f16V1 SER 108 HB3 -0.17 -0.05 -0.00 -0.04 3.93 3.67 2f16V1 HIS 109 H -0.02 0.60 0.36 -0.55 8.41 8.81 2f16V1 HIS 109 HA -0.25 0.20 0.94 -0.75 4.63 4.77 2f16V1 HIS 109 HB2 -0.06 -0.05 -0.08 -0.04 3.26 3.04 2f16V1 HIS 109 HB3 -0.53 -0.00 -0.05 -0.04 3.20 2.58 2f16V1 HIS 109 HD2 0.03 0.11 -0.24 -0.04 6.97 6.82 2f16V1 HIS 109 HE1 0.04 0.06 -0.18 -0.04 7.75 7.63 2f16V1 LEU 110 H -0.59 0.25 0.15 -0.55 8.37 7.63 2f16V1 LEU 110 HA -0.13 0.15 0.81 -0.75 4.35 4.43 2f16V1 LEU 110 HB2 -0.09 -0.03 -0.17 -0.04 1.64 1.31 2f16V1 LEU 110 HB3 -0.20 0.15 0.14 -0.04 1.64 1.69 2f16V1 LEU 110 HG -0.07 -0.00 -0.37 -0.04 1.64 1.16 2f16V1 LEU 110 HD13 0.02 -0.01 -0.11 -0.04 0.93 0.79 2f16V1 LEU 110 HD23 0.01 -0.01 -0.47 -0.04 0.89 0.38 2f16V1 PHE 111 H 0.05 0.64 0.26 -0.55 8.34 8.74 2f16V1 PHE 111 HA -0.02 0.30 1.03 -0.75 4.62 5.19 2f16V1 PHE 111 HB2 0.01 -0.03 -0.02 -0.04 3.15 3.07 2f16V1 PHE 111 HB3 -0.00 0.01 0.14 -0.04 3.06 3.17 2f16V1 PHE 111 HD2 -0.01 0.09 -0.13 -0.04 7.28 7.20 2f16V1 PHE 111 HE2 -0.07 -0.06 -0.19 -0.04 7.38 7.02 2f16V1 PHE 111 HZ -0.03 -0.00 -0.11 -0.04 7.32 7.13 2f16V1 SER 112 H 0.19 0.41 0.40 -0.55 8.46 8.91 2f16V1 SER 112 HA 0.08 0.26 0.97 -0.75 4.49 5.04 2f16V1 SER 112 HB2 0.04 0.05 0.04 -0.04 3.95 4.03 2f16V1 SER 112 HB3 0.06 -0.03 -0.20 -0.04 3.93 3.72 2f16V1 ILE 113 H 0.02 0.68 0.35 -0.55 8.25 8.75 2f16V1 ILE 113 HA 0.09 0.36 1.05 -0.75 4.18 4.92 2f16V1 ILE 113 HB -0.01 -0.10 -0.05 -0.04 1.89 1.69 2f16V1 ILE 113 HG12 -0.00 0.10 -0.27 -0.04 1.49 1.27 2f16V1 ILE 113 HG13 0.04 -0.14 -0.44 -0.04 1.21 0.62 2f16V1 ILE 113 HG23 0.01 0.04 -0.15 -0.04 0.93 0.80 2f16V1 ILE 113 HD13 -0.01 -0.02 -0.19 -0.04 0.88 0.63 2f16V1 HIS 114 H 0.21 0.54 0.28 -0.55 8.41 8.90 2f16V1 HIS 114 HA 0.10 0.14 0.98 -0.75 4.63 5.11 2f16V1 HIS 114 HB2 0.10 -0.03 0.15 -0.04 3.26 3.44 2f16V1 HIS 114 HB3 0.19 -0.05 0.11 -0.04 3.20 3.42 2f16V1 HIS 114 HD2 0.07 0.04 -0.25 -0.04 6.97 6.79 2f16V1 HIS 114 HE1 0.06 0.01 -0.02 -0.04 7.75 7.76 2f16V1 ALA 115 H -0.74 0.10 0.17 -0.55 8.40 7.38 2f16V1 ALA 115 HA -0.36 0.20 0.46 -0.75 4.34 3.89 2f16V1 ALA 115 HB3 -0.63 0.01 0.07 -0.04 1.41 0.82 2f16V1 HIS 116 H 0.11 -0.02 -0.33 -0.55 8.41 7.63 2f16V1 HIS 116 HA -0.07 0.11 0.46 -0.75 4.63 4.38 2f16V1 HIS 116 HB2 0.03 -0.09 -0.01 -0.04 3.26 3.16 2f16V1 HIS 116 HB3 0.00 0.06 -0.01 -0.04 3.20 3.21 2f16V1 HIS 116 HD2 0.06 -0.08 -0.02 -0.04 6.97 6.89 2f16V1 HIS 116 HE1 -0.12 0.10 -0.03 -0.04 7.75 7.65 2f16V1 GLY 117 H 0.10 0.45 -0.15 -0.55 8.43 8.29 2f16V1 GLY 117 HA2 0.10 0.02 0.27 -0.51 4.01 3.89 2f16V1 GLY 117 HA3 0.26 0.24 0.94 -0.51 4.01 4.94 2f16V1 SER 118 H 0.14 -0.05 0.08 -0.55 8.46 8.07 2f16V1 SER 118 HA 0.03 0.19 0.73 -0.75 4.49 4.68 2f16V1 SER 118 HB2 0.01 0.09 0.07 -0.04 3.95 4.07 2f16V1 SER 118 HB3 0.04 0.02 0.03 -0.04 3.93 3.98 2f16V1 THR 119 H -0.00 0.19 0.25 -0.55 8.28 8.17 2f16V1 THR 119 HA 0.07 0.35 1.18 -0.75 4.39 5.24 2f16V1 THR 119 HB -0.07 -0.01 0.10 -0.04 4.32 4.29 2f16V1 THR 119 HG23 -0.06 0.02 -0.10 -0.04 1.22 1.03 2f16V1 ASP 120 H 0.10 0.42 0.38 -0.55 8.40 8.74 2f16V1 ASP 120 HA 0.04 0.16 0.83 -0.75 4.63 4.90 2f16V1 ASP 120 HB2 0.08 -0.06 -0.03 -0.04 2.71 2.66 2f16V1 ASP 120 HB3 0.02 0.06 -0.02 -0.04 2.70 2.71 2f16V1 VAL 121 H 0.02 0.24 0.21 -0.55 8.24 8.17 2f16V1 VAL 121 HA 0.07 0.29 1.11 -0.75 4.13 4.84 2f16V1 VAL 121 HB 0.32 -0.01 -0.01 -0.04 2.12 2.38 2f16V1 VAL 121 HG13 0.02 -0.01 0.05 -0.04 0.97 0.99 2f16V1 VAL 121 HG23 -0.15 0.03 -0.02 -0.04 0.95 0.78 2f16V1 GLY 122 H -0.21 0.49 0.22 -0.55 8.43 8.39 2f16V1 GLY 122 HA2 -0.32 0.09 0.43 -0.51 4.01 3.69 2f16V1 GLY 122 HA3 -0.29 0.08 0.32 -0.51 4.01 3.62 2f16V1 TYR 123 H -0.27 0.18 0.17 -0.55 8.29 7.81 2f16V1 TYR 123 HA 0.00 0.15 0.74 -0.75 4.56 4.69 2f16V1 TYR 123 HB2 -0.30 0.03 0.09 -0.04 3.06 2.84 2f16V1 TYR 123 HB3 0.41 0.01 0.10 -0.04 2.98 3.47 2f16V1 TYR 123 HD2 0.04 0.01 0.04 -0.04 7.15 7.19 2f16V1 TYR 123 HE2 0.07 0.03 -0.01 -0.04 6.85 6.90 2f16V1 TYR 124 H -0.48 0.16 -0.01 -0.55 8.29 7.41 2f16V1 TYR 124 HA -0.01 0.37 0.75 -0.75 4.56 4.91 2f16V1 TYR 124 HB2 -0.05 0.04 0.07 -0.04 3.06 3.08 2f16V1 TYR 124 HB3 -0.16 0.04 -0.03 -0.04 2.98 2.78 2f16V1 TYR 124 HD2 -0.87 -0.05 -0.19 -0.04 7.15 6.00 2f16V1 TYR 124 HE2 -0.71 0.01 -0.08 -0.04 6.85 6.03 2f16V1 LEU 125 H 0.06 0.54 0.33 -0.55 8.37 8.75 2f16V1 LEU 125 HA -0.07 0.17 0.72 -0.75 4.35 4.40 2f16V1 LEU 125 HB2 0.00 -0.03 -0.15 -0.04 1.64 1.42 2f16V1 LEU 125 HB3 -0.01 0.01 -0.04 -0.04 1.64 1.56 2f16V1 LEU 125 HG -0.11 -0.12 -0.77 -0.04 1.64 0.59 2f16V1 LEU 125 HD13 -0.01 0.01 -0.42 -0.04 0.93 0.48 2f16V1 LEU 125 HD23 -0.14 0.06 -0.18 -0.04 0.89 0.59 2f16V1 SER 126 H 0.02 0.32 0.18 -0.55 8.46 8.43 2f16V1 SER 126 HA 0.04 0.31 0.78 -0.75 4.49 4.86 2f16V1 SER 126 HB2 0.04 0.02 0.09 -0.04 3.95 4.06 2f16V1 SER 126 HB3 0.06 0.01 -0.15 -0.04 3.93 3.80 2f16V1 LEU 127 H 0.02 0.55 0.32 -0.55 8.37 8.71 2f16V1 LEU 127 HA -0.01 0.16 0.75 -0.75 4.35 4.50 2f16V1 LEU 127 HB2 0.00 0.01 -0.13 -0.04 1.64 1.47 2f16V1 LEU 127 HB3 -0.06 -0.05 0.01 -0.04 1.64 1.50 2f16V1 LEU 127 HG -0.01 -0.06 -0.53 -0.04 1.64 1.00 2f16V1 LEU 127 HD13 -0.07 -0.01 -0.28 -0.04 0.93 0.52 2f16V1 LEU 127 HD23 -0.06 0.05 0.03 -0.04 0.89 0.86 2f16V1 GLY 128 H -0.08 0.15 0.14 -0.55 8.43 8.09 2f16V1 GLY 128 HA2 -0.08 0.01 0.36 -0.51 4.01 3.79 2f16V1 GLY 128 HA3 -0.03 0.37 0.90 -0.51 4.01 4.74 2f16V1 SER 129 H -0.03 0.34 0.27 -0.55 8.46 8.50 2f16V1 SER 129 HA -0.03 0.08 0.55 -0.75 4.49 4.34 2f16V1 SER 129 HB2 -0.01 -0.03 0.12 -0.04 3.95 3.98 2f16V1 SER 129 HB3 -0.02 -0.01 0.15 -0.04 3.93 4.01 2f16V1 GLY 130 H -0.01 0.75 -0.11 -0.55 8.43 8.51 2f16V1 GLY 130 HA2 0.00 0.15 0.56 -0.51 4.01 4.21 2f16V1 GLY 130 HA3 -0.01 0.03 0.17 -0.51 4.01 3.69 2f16V1 SER 131 H -0.01 0.30 -0.76 -0.55 8.46 7.45 2f16V1 SER 131 HA 0.02 -0.01 0.12 -0.75 4.49 3.86 2f16V1 SER 131 HB2 -0.01 -0.10 -0.30 -0.04 3.95 3.50 2f16V1 SER 131 HB3 -0.00 0.10 -0.04 -0.04 3.93 3.95 2f16V1 LEU 132 H 0.01 0.22 -0.43 -0.55 8.37 7.62 2f16V1 LEU 132 HA 0.02 0.09 0.49 -0.75 4.35 4.20 2f16V1 LEU 132 HB2 0.01 0.06 0.02 -0.04 1.64 1.69 2f16V1 LEU 132 HB3 0.02 0.04 -0.09 -0.04 1.64 1.58 2f16V1 LEU 132 HG 0.02 0.01 -0.03 -0.04 1.64 1.60 2f16V1 LEU 132 HD13 0.01 -0.01 -0.15 -0.04 0.93 0.74 2f16V1 LEU 132 HD23 0.01 0.01 -0.03 -0.04 0.89 0.85 2f16V1 ALA 133 H 0.02 0.23 -0.19 -0.55 8.40 7.92 2f16V1 ALA 133 HA 0.04 0.09 0.43 -0.75 4.34 4.14 2f16V1 ALA 133 HB3 0.04 0.02 -0.12 -0.04 1.41 1.31 2f16V1 ALA 134 H 0.03 0.56 -0.15 -0.55 8.40 8.29 2f16V1 ALA 134 HA 0.05 0.10 0.41 -0.75 4.34 4.15 2f16V1 ALA 134 HB3 0.04 -0.00 -0.10 -0.04 1.41 1.31 2f16V1 MET 135 H 0.05 0.64 -0.15 -0.55 8.47 8.46 2f16V1 MET 135 HA 0.09 -0.05 0.29 -0.75 4.52 4.10 2f16V1 MET 135 HB2 0.05 0.05 0.09 -0.04 2.15 2.30 2f16V1 MET 135 HB3 0.04 0.08 0.05 -0.04 2.03 2.16 2f16V1 MET 135 HG2 0.05 0.00 -0.04 -0.04 2.63 2.60 2f16V1 MET 135 HG3 0.07 0.01 -0.14 -0.04 2.56 2.46 2f16V1 MET 135 HE3 0.00 0.02 -0.04 -0.04 2.10 2.04 2f16V1 ALA 136 H 0.04 0.38 -0.59 -0.55 8.40 7.69 2f16V1 ALA 136 HA 0.02 0.01 0.40 -0.75 4.34 4.01 2f16V1 ALA 136 HB3 0.02 0.06 0.09 -0.04 1.41 1.53 2f16V1 VAL 137 H 0.03 0.43 -0.19 -0.55 8.24 7.96 2f16V1 VAL 137 HA -0.08 0.06 0.43 -0.75 4.13 3.78 2f16V1 VAL 137 HB 0.07 0.14 0.15 -0.04 2.12 2.44 2f16V1 VAL 137 HG13 0.17 -0.03 -0.24 -0.04 0.97 0.84 2f16V1 VAL 137 HG23 0.07 0.04 -0.02 -0.04 0.95 1.01 2f16V1 LEU 138 H 0.05 0.52 -0.06 -0.55 8.37 8.33 2f16V1 LEU 138 HA 0.04 -0.00 0.37 -0.75 4.35 4.01 2f16V1 LEU 138 HB2 0.12 0.07 0.06 -0.04 1.64 1.85 2f16V1 LEU 138 HB3 -0.05 -0.05 -0.06 -0.04 1.64 1.44 2f16V1 LEU 138 HG 0.10 0.15 -0.13 -0.04 1.64 1.72 2f16V1 LEU 138 HD13 0.20 -0.02 -0.23 -0.04 0.93 0.84 2f16V1 LEU 138 HD23 0.13 -0.01 -0.12 -0.04 0.89 0.84 2f16V1 GLU 139 H 0.02 0.72 -0.12 -0.55 8.60 8.67 2f16V1 GLU 139 HA -0.02 -0.02 0.37 -0.75 4.29 3.87 2f16V1 GLU 139 HB2 0.02 0.14 0.09 -0.04 2.09 2.29 2f16V1 GLU 139 HB3 0.04 -0.04 0.06 -0.04 1.99 2.00 2f16V1 GLU 139 HG2 0.13 0.03 0.06 -0.04 2.34 2.53 2f16V1 GLU 139 HG3 0.07 -0.05 -0.01 -0.04 2.34 2.31 2f16V1 SER 140 H -0.10 0.18 -0.87 -0.55 8.46 7.13 2f16V1 SER 140 HA -0.07 0.15 0.88 -0.75 4.49 4.70 2f16V1 SER 140 HB2 -0.40 0.06 0.13 -0.04 3.95 3.70 2f16V1 SER 140 HB3 -0.39 -0.09 0.06 -0.04 3.93 3.47 2f16V1 HIS 141 H -0.01 0.23 0.05 -0.55 8.41 8.13 2f16V1 HIS 141 HA 0.00 0.22 1.00 -0.75 4.63 5.10 2f16V1 HIS 141 HB2 0.03 0.01 -0.01 -0.04 3.26 3.25 2f16V1 HIS 141 HB3 0.00 -0.10 0.06 -0.04 3.20 3.12 2f16V1 HIS 141 HD2 0.03 -0.05 -0.08 -0.04 6.97 6.83 2f16V1 HIS 141 HE1 0.01 -0.03 -0.05 -0.04 7.75 7.64 2f16V1 TRP 142 H 0.13 0.49 0.17 -0.55 7.97 8.22 2f16V1 TRP 142 HA -0.08 -0.03 0.45 -0.75 4.62 4.21 2f16V1 TRP 142 HB2 -0.46 -0.05 0.13 -0.04 3.23 2.80 2f16V1 TRP 142 HB3 -0.51 0.06 0.04 -0.04 3.23 2.78 2f16V1 TRP 142 HD1 -0.04 -0.03 0.02 -0.04 7.22 7.12 2f16V1 TRP 142 HE1 0.14 0.05 -0.01 -0.04 10.20 10.34 2f16V1 TRP 142 HE3 -0.11 0.09 -0.35 -0.04 7.59 7.17 2f16V1 TRP 142 HZ2 -0.28 -0.05 -0.07 -0.04 7.44 7.00 2f16V1 TRP 142 HZ3 0.03 0.02 -0.10 -0.04 7.13 7.03 2f16V1 TRP 142 HH2 -0.17 -0.02 -0.07 -0.04 7.19 6.90 2f16V1 LYS 143 H -1.46 0.30 0.22 -0.55 8.42 6.93 2f16V1 LYS 143 HA -0.77 0.08 0.48 -0.75 4.32 3.35 2f16V1 LYS 143 HB2 -0.35 -0.02 0.07 -0.04 1.87 1.52 2f16V1 LYS 143 HB3 -0.27 0.17 -0.17 -0.04 1.79 1.48 2f16V1 LYS 143 HG2 -0.33 -0.02 -0.09 -0.04 1.46 0.98 2f16V1 LYS 143 HG3 -0.43 0.02 -0.41 -0.04 1.46 0.60 2f16V1 LYS 143 HD2 -0.19 0.03 -0.06 -0.04 1.69 1.43 2f16V1 LYS 143 HD3 -0.15 0.03 -0.06 -0.04 1.68 1.45 2f16V1 LYS 143 HE2 -0.13 -0.05 -0.03 -0.04 2.99 2.74 2f16V1 LYS 143 HE3 -0.17 -0.01 -0.10 -0.04 2.99 2.67 2f16V1 GLN 144 H -0.71 0.14 0.11 -0.55 8.47 7.45 2f16V1 GLN 144 HA -0.69 0.06 0.56 -0.75 4.36 3.54 2f16V1 GLN 144 HB2 -0.27 0.01 0.11 -0.04 2.15 1.96 2f16V1 GLN 144 HB3 -0.22 0.04 0.01 -0.04 2.02 1.81 2f16V1 GLN 144 HG2 -0.16 0.00 0.03 -0.04 2.40 2.23 2f16V1 GLN 144 HG3 -0.25 -0.03 0.10 -0.04 2.39 2.17 2f16V1 GLN 144 HE21 -0.04 0.02 0.01 -0.04 6.97 6.92 2f16V1 GLN 144 HE22 -0.29 -0.01 0.01 -0.04 7.69 7.37 2f16V1 ASP 145 H -0.18 0.09 0.14 -0.55 8.40 7.91 2f16V1 ASP 145 HA -0.07 -0.02 0.38 -0.75 4.63 4.17 2f16V1 ASP 145 HB2 -0.13 0.29 0.06 -0.04 2.71 2.89 2f16V1 ASP 145 HB3 -0.07 -0.04 0.19 -0.04 2.70 2.74 2f16V1 LEU 146 H -0.05 0.06 0.12 -0.55 8.37 7.96 2f16V1 LEU 146 HA -0.09 0.21 0.69 -0.75 4.35 4.40 2f16V1 LEU 146 HB2 0.07 -0.03 0.14 -0.04 1.64 1.78 2f16V1 LEU 146 HB3 -0.02 -0.08 0.04 -0.04 1.64 1.54 2f16V1 LEU 146 HG -0.37 0.25 -0.04 -0.04 1.64 1.44 2f16V1 LEU 146 HD13 0.01 0.02 0.03 -0.04 0.93 0.94 2f16V1 LEU 146 HD23 -0.20 -0.00 -0.06 -0.04 0.89 0.59 2f16V1 THR 147 H -0.04 0.14 0.18 -0.55 8.28 8.01 2f16V1 THR 147 HA 0.06 0.19 0.76 -0.75 4.39 4.65 2f16V1 THR 147 HB -0.03 0.02 0.16 -0.04 4.32 4.42 2f16V1 THR 147 HG23 -0.03 0.07 0.01 -0.04 1.22 1.24 2f16V1 LYS 148 H -0.14 0.23 0.12 -0.55 8.42 8.08 2f16V1 LYS 148 HA -1.46 0.08 0.32 -0.75 4.32 2.50 2f16V1 LYS 148 HB2 -0.54 0.03 0.07 -0.04 1.87 1.38 2f16V1 LYS 148 HB3 -0.25 -0.01 0.12 -0.04 1.79 1.61 2f16V1 LYS 148 HG2 -0.33 0.02 -0.33 -0.04 1.46 0.78 2f16V1 LYS 148 HG3 -0.62 0.00 -0.07 -0.04 1.46 0.73 2f16V1 LYS 148 HD2 -0.11 0.01 -0.05 -0.04 1.69 1.49 2f16V1 LYS 148 HD3 -0.13 0.01 -0.05 -0.04 1.68 1.48 2f16V1 LYS 148 HE2 -0.12 0.02 -0.09 -0.04 2.99 2.76 2f16V1 LYS 148 HE3 -0.14 -0.02 -0.08 -0.04 2.99 2.71 2f16V1 GLU 149 H -0.16 0.11 -0.15 -0.55 8.60 7.85 2f16V1 GLU 149 HA -0.13 0.11 0.33 -0.75 4.29 3.85 2f16V1 GLU 149 HB2 -0.07 -0.04 0.03 -0.04 2.09 1.97 2f16V1 GLU 149 HB3 -0.05 0.09 -0.04 -0.04 1.99 1.94 2f16V1 GLU 149 HG2 -0.04 0.09 -0.00 -0.04 2.34 2.34 2f16V1 GLU 149 HG3 -0.07 0.04 -0.01 -0.04 2.34 2.27 2f16V1 GLU 150 H -0.09 0.00 -0.30 -0.55 8.60 7.66 2f16V1 GLU 150 HA -0.05 0.12 0.44 -0.75 4.29 4.05 2f16V1 GLU 150 HB2 -0.06 -0.12 0.18 -0.04 2.09 2.06 2f16V1 GLU 150 HB3 -0.06 0.13 0.04 -0.04 1.99 2.06 2f16V1 GLU 150 HG2 -0.06 0.09 0.03 -0.04 2.34 2.37 2f16V1 GLU 150 HG3 -0.06 -0.12 0.07 -0.04 2.34 2.20 2f16V1 ALA 151 H -0.10 0.58 -0.17 -0.55 8.40 8.16 2f16V1 ALA 151 HA 0.05 0.05 0.33 -0.75 4.34 4.02 2f16V1 ALA 151 HB3 0.00 0.03 -0.06 -0.04 1.41 1.34 2f16V1 ILE 152 H -0.16 0.56 -0.12 -0.55 8.25 7.97 2f16V1 ILE 152 HA -0.14 -0.01 0.25 -0.75 4.18 3.52 2f16V1 ILE 152 HB -0.10 0.11 0.04 -0.04 1.89 1.90 2f16V1 ILE 152 HG12 -0.23 0.40 0.03 -0.04 1.49 1.65 2f16V1 ILE 152 HG13 -0.19 -0.03 -0.08 -0.04 1.21 0.87 2f16V1 ILE 152 HG23 -0.37 -0.01 -0.11 -0.04 0.93 0.40 2f16V1 ILE 152 HD13 -0.24 -0.04 -0.09 -0.04 0.88 0.48 2f16V1 LYS 153 H -0.04 0.44 -0.33 -0.55 8.42 7.94 2f16V1 LYS 153 HA 0.04 0.02 0.35 -0.75 4.32 3.98 2f16V1 LYS 153 HB2 -0.02 0.14 0.18 -0.04 1.87 2.13 2f16V1 LYS 153 HB3 -0.01 0.05 -0.00 -0.04 1.79 1.78 2f16V1 LYS 153 HG2 0.03 -0.02 -0.00 -0.04 1.46 1.42 2f16V1 LYS 153 HG3 -0.01 -0.01 -0.01 -0.04 1.46 1.38 2f16V1 LYS 153 HD2 -0.02 0.03 -0.09 -0.04 1.69 1.57 2f16V1 LYS 153 HD3 0.03 -0.06 -0.03 -0.04 1.68 1.58 2f16V1 LYS 153 HE2 0.03 -0.01 -0.04 -0.04 2.99 2.93 2f16V1 LYS 153 HE3 -0.00 0.00 -0.04 -0.04 2.99 2.91 2f16V1 LEU 154 H 0.01 0.68 -0.04 -0.55 8.37 8.48 2f16V1 LEU 154 HA 0.07 0.04 0.33 -0.75 4.35 4.03 2f16V1 LEU 154 HB2 0.05 0.06 0.05 -0.04 1.64 1.76 2f16V1 LEU 154 HB3 0.09 0.02 0.12 -0.04 1.64 1.83 2f16V1 LEU 154 HG 0.15 -0.05 -0.25 -0.04 1.64 1.45 2f16V1 LEU 154 HD13 0.15 0.00 -0.12 -0.04 0.93 0.92 2f16V1 LEU 154 HD23 0.21 0.01 -0.07 -0.04 0.89 1.00 2f16V1 ALA 155 H 0.04 0.80 -0.11 -0.55 8.40 8.59 2f16V1 ALA 155 HA 0.07 -0.01 0.28 -0.75 4.34 3.93 2f16V1 ALA 155 HB3 0.03 -0.00 -0.10 -0.04 1.41 1.30 2f16V1 SER 156 H 0.02 0.68 -0.24 -0.55 8.46 8.37 2f16V1 SER 156 HA 0.04 -0.04 0.35 -0.75 4.49 4.09 2f16V1 SER 156 HB2 0.04 0.10 0.07 -0.04 3.95 4.12 2f16V1 SER 156 HB3 0.10 0.08 0.08 -0.04 3.93 4.15 2f16V1 ASP 157 H 0.07 0.69 -0.20 -0.55 8.40 8.41 2f16V1 ASP 157 HA 0.10 0.02 0.44 -0.75 4.63 4.44 2f16V1 ASP 157 HB2 0.10 0.13 0.10 -0.04 2.71 2.99 2f16V1 ASP 157 HB3 0.12 -0.05 -0.05 -0.04 2.70 2.68 2f16V1 ALA 158 H 0.07 0.51 -0.27 -0.55 8.40 8.16 2f16V1 ALA 158 HA 0.07 0.06 0.42 -0.75 4.34 4.13 2f16V1 ALA 158 HB3 0.07 0.02 0.01 -0.04 1.41 1.48 2f16V1 ILE 159 H 0.03 0.49 -0.25 -0.55 8.25 7.97 2f16V1 ILE 159 HA -0.01 -0.03 0.29 -0.75 4.18 3.67 2f16V1 ILE 159 HB -0.00 0.17 0.03 -0.04 1.89 2.05 2f16V1 ILE 159 HG12 0.02 0.34 -0.02 -0.04 1.49 1.79 2f16V1 ILE 159 HG13 0.01 -0.06 -0.15 -0.04 1.21 0.96 2f16V1 ILE 159 HG23 -0.05 0.00 -0.23 -0.04 0.93 0.61 2f16V1 ILE 159 HD13 0.02 0.00 -0.33 -0.04 0.88 0.53 2f16V1 GLN 160 H 0.01 0.45 -0.37 -0.55 8.47 8.01 2f16V1 GLN 160 HA -0.32 -0.01 0.30 -0.75 4.36 3.57 2f16V1 GLN 160 HB2 0.13 0.17 0.11 -0.04 2.15 2.51 2f16V1 GLN 160 HB3 0.26 -0.04 -0.04 -0.04 2.02 2.16 2f16V1 GLN 160 HG2 -0.06 -0.07 -0.04 -0.04 2.40 2.19 2f16V1 GLN 160 HG3 0.06 0.29 0.03 -0.04 2.39 2.73 2f16V1 GLN 160 HE21 0.15 -0.02 -0.07 -0.04 6.97 6.99 2f16V1 GLN 160 HE22 0.12 0.02 -0.16 -0.04 7.69 7.63 2f16V1 ALA 161 H 0.06 0.43 -0.40 -0.55 8.40 7.95 2f16V1 ALA 161 HA 0.17 0.02 0.33 -0.75 4.34 4.11 2f16V1 ALA 161 HB3 0.08 0.04 -0.10 -0.04 1.41 1.38 2f16V1 GLY 162 H -0.02 0.35 -0.41 -0.55 8.43 7.81 2f16V1 GLY 162 HA2 -0.00 -0.05 0.41 -0.51 4.01 3.86 2f16V1 GLY 162 HA3 -0.03 -0.03 0.26 -0.51 4.01 3.69 2f16V1 ILE 163 H -0.22 0.55 -0.04 -0.55 8.25 7.99 2f16V1 ILE 163 HA -0.21 -0.01 -0.03 -0.75 4.18 3.17 2f16V1 ILE 163 HB -0.84 0.04 0.06 -0.04 1.89 1.10 2f16V1 ILE 163 HG12 -0.35 0.06 -0.29 -0.04 1.49 0.86 2f16V1 ILE 163 HG13 -0.26 -0.15 -0.19 -0.04 1.21 0.57 2f16V1 ILE 163 HG23 -1.04 -0.01 -0.23 -0.04 0.93 -0.40 2f16V1 ILE 163 HD13 -0.16 -0.03 -0.14 -0.04 0.88 0.51 2f16V1 TRP 164 H -0.32 0.53 -0.20 -0.55 7.97 7.44 2f16V1 TRP 164 HA 0.01 0.06 0.45 -0.75 4.62 4.39 2f16V1 TRP 164 HB2 0.02 0.03 0.07 -0.04 3.23 3.30 2f16V1 TRP 164 HB3 0.01 -0.05 -0.00 -0.04 3.23 3.14 2f16V1 TRP 164 HD1 0.02 -0.03 -0.15 -0.04 7.22 7.02 2f16V1 TRP 164 HE1 0.02 -0.06 -0.05 -0.04 10.20 10.07 2f16V1 TRP 164 HE3 0.01 0.06 -0.04 -0.04 7.59 7.58 2f16V1 TRP 164 HZ2 0.01 -0.05 -0.03 -0.04 7.44 7.33 2f16V1 TRP 164 HZ3 0.01 -0.01 -0.04 -0.04 7.13 7.05 2f16V1 TRP 164 HH2 0.00 0.17 -0.07 -0.04 7.19 7.26 2f16V1 ASN 165 H 0.15 0.47 -0.07 -0.55 8.53 8.54 2f16V1 ASN 165 HA 0.12 0.17 0.84 -0.75 4.76 5.13 2f16V1 ASN 165 HB2 0.08 0.07 0.09 -0.04 2.88 3.08 2f16V1 ASN 165 HB3 0.07 -0.09 0.11 -0.04 2.79 2.83 2f16V1 ASN 165 HD21 0.09 -0.03 -0.05 -0.04 7.03 6.99 2f16V1 ASN 165 HD22 0.08 -0.00 -0.00 -0.04 7.74 7.77 2f16V1 ASP 166 H 0.03 0.80 -0.01 -0.55 8.40 8.67 2f16V1 ASP 166 HA 0.02 0.11 1.04 -0.75 4.63 5.06 2f16V1 ASP 166 HB2 0.01 -0.04 -0.00 -0.04 2.71 2.64 2f16V1 ASP 166 HB3 -0.01 0.14 0.11 -0.04 2.70 2.91 2f16V1 LEU 167 H 0.02 0.13 0.14 -0.55 8.37 8.11 2f16V1 LEU 167 HA 0.02 0.22 0.41 -0.75 4.35 4.25 2f16V1 LEU 167 HB2 0.01 -0.07 0.06 -0.04 1.64 1.60 2f16V1 LEU 167 HB3 0.02 0.02 0.06 -0.04 1.64 1.70 2f16V1 LEU 167 HG 0.02 0.00 0.07 -0.04 1.64 1.70 2f16V1 LEU 167 HD13 0.02 -0.01 0.02 -0.04 0.93 0.92 2f16V1 LEU 167 HD23 0.04 0.02 -0.05 -0.04 0.89 0.86 2f16V1 GLY 168 H 0.00 -0.01 -0.25 -0.55 8.43 7.62 2f16V1 GLY 168 HA2 -0.00 0.09 0.42 -0.51 4.01 4.02 2f16V1 GLY 168 HA3 -0.01 -0.05 0.25 -0.51 4.01 3.70 2f16V1 SER 169 H -0.02 0.47 -0.60 -0.55 8.46 7.77 2f16V1 SER 169 HA -0.03 0.08 0.92 -0.75 4.49 4.70 2f16V1 SER 169 HB2 -0.05 0.28 -0.35 -0.04 3.95 3.78 2f16V1 SER 169 HB3 -0.06 -0.12 -0.10 -0.04 3.93 3.60 2f16V1 GLY 170 H -0.07 0.02 0.23 -0.55 8.43 8.06 2f16V1 GLY 170 HA2 -0.18 0.17 0.41 -0.51 4.01 3.89 2f16V1 GLY 170 HA3 -0.07 0.13 0.41 -0.51 4.01 3.97 2f16V1 SER 171 H -0.10 0.20 0.14 -0.55 8.46 8.15 2f16V1 SER 171 HA -0.05 0.05 0.41 -0.75 4.49 4.14 2f16V1 SER 171 HB2 -0.04 0.02 0.06 -0.04 3.95 3.94 2f16V1 SER 171 HB3 -0.03 0.03 0.30 -0.04 3.93 4.19 2f16V1 ASN 172 H -0.05 0.13 0.32 -0.55 8.53 8.39 2f16V1 ASN 172 HA -0.06 0.20 0.96 -0.75 4.76 5.11 2f16V1 ASN 172 HB2 -0.02 -0.04 0.10 -0.04 2.88 2.87 2f16V1 ASN 172 HB3 -0.02 0.16 0.30 -0.04 2.79 3.19 2f16V1 ASN 172 HD21 -0.01 0.00 0.01 -0.04 7.03 6.99 2f16V1 ASN 172 HD22 -0.01 0.00 0.07 -0.04 7.74 7.76 2f16V1 VAL 173 H -0.01 0.62 0.34 -0.55 8.24 8.63 2f16V1 VAL 173 HA -0.01 0.33 1.12 -0.75 4.13 4.81 2f16V1 VAL 173 HB 0.09 -0.10 0.12 -0.04 2.12 2.18 2f16V1 VAL 173 HG13 0.05 -0.00 -0.13 -0.04 0.97 0.85 2f16V1 VAL 173 HG23 -0.03 0.02 -0.17 -0.04 0.95 0.73 2f16V1 ASP 174 H 0.02 0.78 0.44 -0.55 8.40 9.09 2f16V1 ASP 174 HA -0.00 0.06 1.12 -0.75 4.63 5.05 2f16V1 ASP 174 HB2 0.05 0.08 0.16 -0.04 2.71 2.96 2f16V1 ASP 174 HB3 0.09 0.02 0.02 -0.04 2.70 2.79 2f16V1 VAL 175 H -0.08 0.55 0.35 -0.55 8.24 8.51 2f16V1 VAL 175 HA -0.05 0.35 1.12 -0.75 4.13 4.80 2f16V1 VAL 175 HB -0.33 -0.01 0.06 -0.04 2.12 1.80 2f16V1 VAL 175 HG13 -0.24 -0.00 -0.09 -0.04 0.97 0.59 2f16V1 VAL 175 HG23 -0.25 -0.01 -0.27 -0.04 0.95 0.38 2f16V1 CYS 176 H -0.08 0.55 0.33 -0.55 8.50 8.75 2f16V1 CYS 176 HA -0.21 0.22 0.87 -0.75 4.58 4.70 2f16V1 CYS 176 HB2 -0.17 0.01 -0.14 -0.04 2.97 2.63 2f16V1 CYS 176 HB3 -0.13 -0.03 0.03 -0.04 2.97 2.80 2f16V1 VAL 177 H -0.18 0.74 0.29 -0.55 8.24 8.53 2f16V1 VAL 177 HA -0.01 0.17 1.05 -0.75 4.13 4.59 2f16V1 VAL 177 HB -0.07 -0.01 0.17 -0.04 2.12 2.16 2f16V1 VAL 177 HG13 -0.02 -0.02 -0.15 -0.04 0.97 0.74 2f16V1 VAL 177 HG23 -0.16 0.02 -0.07 -0.04 0.95 0.70 2f16V1 MET 178 H 0.12 0.71 0.32 -0.55 8.47 9.08 2f16V1 MET 178 HA 0.03 0.16 0.95 -0.75 4.52 4.91 2f16V1 MET 178 HB2 0.07 0.02 0.20 -0.04 2.15 2.40 2f16V1 MET 178 HB3 0.07 0.03 0.05 -0.04 2.03 2.15 2f16V1 MET 178 HG2 0.10 0.05 -0.06 -0.04 2.63 2.68 2f16V1 MET 178 HG3 -0.09 -0.07 -0.51 -0.04 2.56 1.85 2f16V1 MET 178 HE3 0.05 0.04 -0.20 -0.04 2.10 1.95 2f16V1 GLU 179 H 0.08 0.31 0.03 -0.55 8.60 8.47 2f16V1 GLU 179 HA 0.08 0.15 1.02 -0.75 4.29 4.78 2f16V1 GLU 179 HB2 0.22 -0.04 -0.07 -0.04 2.09 2.16 2f16V1 GLU 179 HB3 0.10 -0.01 0.04 -0.04 1.99 2.07 2f16V1 GLU 179 HG2 0.09 -0.09 -0.02 -0.04 2.34 2.28 2f16V1 GLU 179 HG3 0.20 0.15 0.03 -0.04 2.34 2.69 2f16V1 ILE 180 H -0.04 0.80 0.41 -0.55 8.25 8.88 2f16V1 ILE 180 HA -0.00 0.02 0.28 -0.75 4.18 3.72 2f16V1 ILE 180 HB -0.01 -0.05 0.18 -0.04 1.89 1.97 2f16V1 ILE 180 HG12 -0.10 0.19 -0.07 -0.04 1.49 1.47 2f16V1 ILE 180 HG13 -0.06 0.00 0.03 -0.04 1.21 1.14 2f16V1 ILE 180 HG23 -0.00 0.01 -0.14 -0.04 0.93 0.76 2f16V1 ILE 180 HD13 -0.07 -0.02 -0.09 -0.04 0.88 0.66 2f16V1 GLY 181 H 0.03 -0.01 -0.16 -0.55 8.43 7.74 2f16V1 GLY 181 HA2 0.03 0.28 0.99 -0.51 4.01 4.80 2f16V1 GLY 181 HA3 0.03 -0.05 0.32 -0.51 4.01 3.80 2f16V1 LYS 182 H 0.04 0.33 -0.11 -0.55 8.42 8.13 2f16V1 LYS 182 HA 0.03 0.21 0.95 -0.75 4.32 4.76 2f16V1 LYS 182 HB2 0.04 0.04 0.02 -0.04 1.87 1.93 2f16V1 LYS 182 HB3 0.03 -0.04 0.15 -0.04 1.79 1.88 2f16V1 LYS 182 HG2 0.03 0.12 -0.37 -0.04 1.46 1.20 2f16V1 LYS 182 HG3 0.04 -0.15 -0.15 -0.04 1.46 1.17 2f16V1 LYS 182 HD2 0.02 0.04 -0.02 -0.04 1.69 1.69 2f16V1 LYS 182 HD3 0.03 -0.01 -0.05 -0.04 1.68 1.60 2f16V1 LYS 182 HE2 0.05 -0.09 -0.04 -0.04 2.99 2.87 2f16V1 LYS 182 HE3 0.03 0.08 -0.02 -0.04 2.99 3.04 2f16V1 ASP 183 H 0.03 0.07 0.14 -0.55 8.40 8.09 2f16V1 ASP 183 HA 0.06 0.09 0.56 -0.75 4.63 4.58 2f16V1 ASP 183 HB2 0.04 -0.05 0.09 -0.04 2.71 2.74 2f16V1 ASP 183 HB3 0.06 0.12 0.06 -0.04 2.70 2.90 2f16V1 ALA 184 H 0.09 0.12 0.18 -0.55 8.40 8.25 2f16V1 ALA 184 HA -0.02 0.11 0.73 -0.75 4.34 4.40 2f16V1 ALA 184 HB3 0.02 -0.00 0.14 -0.04 1.41 1.54 2f16V1 GLU 185 H -0.11 0.66 0.36 -0.55 8.60 8.96 2f16V1 GLU 185 HA -0.07 0.22 1.17 -0.75 4.29 4.86 2f16V1 GLU 185 HB2 -0.05 0.03 -0.03 -0.04 2.09 2.00 2f16V1 GLU 185 HB3 -0.03 0.06 -0.06 -0.04 1.99 1.92 2f16V1 GLU 185 HG2 -0.05 0.06 0.10 -0.04 2.34 2.41 2f16V1 GLU 185 HG3 -0.10 -0.16 0.18 -0.04 2.34 2.22 2f16V1 TYR 186 H -0.06 0.24 0.11 -0.55 8.29 8.03 2f16V1 TYR 186 HA -0.45 0.09 0.82 -0.75 4.56 4.26 2f16V1 TYR 186 HB2 -1.02 0.02 0.01 -0.04 3.06 2.02 2f16V1 TYR 186 HB3 -0.17 0.02 0.17 -0.04 2.98 2.95 2f16V1 TYR 186 HD2 -0.11 0.03 -0.03 -0.04 7.15 7.00 2f16V1 TYR 186 HE2 0.09 -0.02 -0.09 -0.04 6.85 6.79 2f16V1 LEU 187 H -0.23 0.84 0.34 -0.55 8.37 8.78 2f16V1 LEU 187 HA -0.20 0.20 0.89 -0.75 4.35 4.49 2f16V1 LEU 187 HB2 -0.13 -0.11 0.23 -0.04 1.64 1.60 2f16V1 LEU 187 HB3 0.06 0.05 0.05 -0.04 1.64 1.75 2f16V1 LEU 187 HG -0.13 0.03 -0.28 -0.04 1.64 1.21 2f16V1 LEU 187 HD13 -0.15 -0.02 -0.07 -0.04 0.93 0.64 2f16V1 LEU 187 HD23 -0.02 0.04 -0.15 -0.04 0.89 0.72 2f16V1 ARG 189 H -0.54 0.23 -0.04 -0.55 8.46 7.57 2f16V1 ARG 189 HA -0.35 -0.04 0.51 -0.75 4.34 3.70 2f16V1 ARG 189 HB2 -0.52 -0.00 0.06 -0.04 1.90 1.40 2f16V1 ARG 189 HB3 -0.23 0.03 0.12 -0.04 1.80 1.68 2f16V1 ARG 189 HG2 -0.02 0.01 -0.04 -0.04 1.67 1.58 2f16V1 ARG 189 HG3 -0.06 0.05 -0.29 -0.04 1.67 1.33 2f16V1 ARG 189 HD2 -0.03 -0.11 0.04 -0.04 3.22 3.08 2f16V1 ARG 189 HD3 0.07 -0.02 0.00 -0.04 3.22 3.23 2f16V1 ASN 190 H -0.06 0.06 0.20 -0.55 8.53 8.19 2f16V1 ASN 190 HA -0.01 0.04 0.33 -0.75 4.76 4.37 2f16V1 ASN 190 HB2 -0.04 0.15 -0.23 -0.04 2.88 2.72 2f16V1 ASN 190 HB3 -0.03 -0.01 0.14 -0.04 2.79 2.85 2f16V1 ASN 190 HD21 -0.00 0.05 -0.03 -0.04 7.03 7.01 2f16V1 ASN 190 HD22 -0.02 -0.10 0.02 -0.04 7.74 7.61 2f16V1 TYR 191 H 0.08 0.23 0.17 -0.55 8.29 8.22 2f16V1 TYR 191 HA -0.07 0.03 0.30 -0.75 4.56 4.07 2f16V1 TYR 191 HB2 -0.09 0.01 0.11 -0.04 3.06 3.05 2f16V1 TYR 191 HB3 -0.06 0.03 0.03 -0.04 2.98 2.93 2f16V1 TYR 191 HD2 -0.05 0.01 -0.12 -0.04 7.15 6.95 2f16V1 TYR 191 HE2 -0.04 -0.01 -0.08 -0.04 6.85 6.68 2f16V1 LEU 192 H 0.03 0.29 -0.22 -0.55 8.37 7.93 2f16V1 LEU 192 HA -0.13 0.16 0.69 -0.75 4.35 4.31 2f16V1 LEU 192 HB2 0.06 -0.08 0.04 -0.04 1.64 1.61 2f16V1 LEU 192 HB3 0.00 0.01 -0.05 -0.04 1.64 1.57 2f16V1 LEU 192 HG -0.05 -0.01 -0.28 -0.04 1.64 1.26 2f16V1 LEU 192 HD13 0.08 -0.00 -0.08 -0.04 0.93 0.89 2f16V1 LEU 192 HD23 -0.16 0.04 0.08 -0.04 0.89 0.81 2f16V1 THR 193 H -0.03 0.21 -0.04 -0.55 8.28 7.87 2f16V1 THR 193 HA -0.01 0.15 0.80 -0.75 4.39 4.57 2f16V1 THR 193 HB -0.00 -0.03 0.08 -0.04 4.32 4.33 2f16V1 THR 193 HG23 -0.02 0.02 -0.19 -0.04 1.22 0.99 2f16V1 PRO 194 HA 0.11 0.11 0.55 -0.51 4.44 4.70 2f16V1 PRO 194 HB2 0.51 0.05 0.10 -0.04 2.28 2.90 2f16V1 PRO 194 HB3 0.20 -0.02 0.05 -0.04 2.02 2.21 2f16V1 PRO 194 HG2 -0.05 0.17 -0.08 -0.04 2.03 2.03 2f16V1 PRO 194 HG3 -0.00 0.00 -0.05 -0.04 2.03 1.94 2f16V1 PRO 194 HD2 -0.03 0.24 0.02 -0.04 3.68 3.86 2f16V1 PRO 194 HD3 0.01 -0.04 -0.29 -0.04 3.65 3.28 2f16V1 ASN 195 H 0.05 0.06 -0.53 -0.55 8.53 7.56 2f16V1 ASN 195 HA 0.15 0.27 0.91 -0.75 4.76 5.34 2f16V1 ASN 195 HB2 0.01 -0.04 0.08 -0.04 2.88 2.89 2f16V1 ASN 195 HB3 0.06 -0.02 0.18 -0.04 2.79 2.97 2f16V1 ASN 195 HD21 -0.58 -0.01 -0.09 -0.04 7.03 6.31 2f16V1 ASN 195 HD22 -0.17 0.51 0.09 -0.04 7.74 8.13 2f16V1 VAL 196 H 0.06 0.17 -0.15 -0.55 8.24 7.77 2f16V1 VAL 196 HA 0.03 0.03 0.51 -0.75 4.13 3.93 2f16V1 VAL 196 HB 0.03 -0.01 0.01 -0.04 2.12 2.11 2f16V1 VAL 196 HG13 0.01 0.04 -0.06 -0.04 0.97 0.93 2f16V1 VAL 196 HG23 0.02 0.01 0.02 -0.04 0.95 0.96 2f16V1 ARG 197 H 0.02 0.07 0.16 -0.55 8.46 8.16 2f16V1 ARG 197 HA 0.03 0.05 0.48 -0.75 4.34 4.14 2f16V1 ARG 197 HB2 0.02 -0.04 0.16 -0.04 1.90 2.00 2f16V1 ARG 197 HB3 0.02 0.03 -0.00 -0.04 1.80 1.81 2f16V1 ARG 197 HG2 0.03 -0.00 0.07 -0.04 1.67 1.72 2f16V1 ARG 197 HG3 0.02 -0.03 0.04 -0.04 1.67 1.66 2f16V1 ARG 197 HD2 0.02 0.15 -0.07 -0.04 3.22 3.28 2f16V1 ARG 197 HD3 0.02 -0.02 0.00 -0.04 3.22 3.18 2f16V1 GLU 198 H 0.02 0.08 0.14 -0.55 8.60 8.30 2f16V1 GLU 198 HA 0.02 0.05 0.40 -0.75 4.29 4.00 2f16V1 GLU 198 HB2 0.01 0.03 0.07 -0.04 2.09 2.16 2f16V1 GLU 198 HB3 0.01 0.01 0.10 -0.04 1.99 2.08 2f16V1 GLU 198 HG2 0.02 -0.03 0.08 -0.04 2.34 2.37 2f16V1 GLU 198 HG3 0.02 -0.00 -0.11 -0.04 2.34 2.20 2f16V1 GLU 199 H 0.01 0.06 0.13 -0.55 8.60 8.26 2f16V1 GLU 199 HA 0.01 0.00 0.41 -0.75 4.29 3.96 2f16V1 GLU 199 HB2 0.00 -0.02 0.13 -0.04 2.09 2.16 2f16V1 GLU 199 HB3 0.00 -0.02 0.10 -0.04 1.99 2.03 2f16V1 GLU 199 HG2 0.00 0.32 -0.17 -0.04 2.34 2.45 2f16V1 GLU 199 HG3 0.00 -0.08 0.05 -0.04 2.34 2.27 2f16V1 LYS 200 H 0.02 0.04 0.17 -0.55 8.42 8.10 2f16V1 LYS 200 HA 0.04 0.08 0.43 -0.75 4.32 4.12 2f16V1 LYS 200 HB2 0.05 -0.00 0.14 -0.04 1.87 2.01 2f16V1 LYS 200 HB3 0.10 -0.04 0.16 -0.04 1.79 1.97 2f16V1 LYS 200 HG2 0.05 0.08 0.06 -0.04 1.46 1.61 2f16V1 LYS 200 HG3 0.05 -0.01 0.09 -0.04 1.46 1.55 2f16V1 LYS 200 HD2 0.16 -0.02 0.08 -0.04 1.69 1.87 2f16V1 LYS 200 HD3 0.06 0.01 0.04 -0.04 1.68 1.75 2f16V1 LYS 200 HE2 0.14 0.00 0.07 -0.04 2.99 3.16 2f16V1 LYS 200 HE3 0.10 -0.02 0.04 -0.04 2.99 3.07 2f16V1 GLN 201 H 0.05 0.10 0.18 -0.55 8.47 8.26 2f16V1 GLN 201 HA -0.00 0.15 0.49 -0.75 4.36 4.25 2f16V1 GLN 201 HB2 0.03 -0.02 0.15 -0.04 2.15 2.28 2f16V1 GLN 201 HB3 0.03 -0.00 -0.00 -0.04 2.02 2.01 2f16V1 GLN 201 HG2 0.01 -0.02 0.03 -0.04 2.40 2.39 2f16V1 GLN 201 HG3 -0.00 -0.00 0.10 -0.04 2.39 2.45 2f16V1 GLN 201 HE21 0.00 -0.00 0.00 -0.04 6.97 6.93 2f16V1 GLN 201 HE22 -0.00 -0.02 0.04 -0.04 7.69 7.67 2f16V1 LYS 202 H -0.01 0.15 -0.18 -0.55 8.42 7.82 2f16V1 LYS 202 HA -0.15 0.13 0.59 -0.75 4.32 4.13 2f16V1 LYS 202 HB2 -0.14 0.14 -0.25 -0.04 1.87 1.58 2f16V1 LYS 202 HB3 -0.25 -0.08 -0.17 -0.04 1.79 1.25 2f16V1 LYS 202 HG2 -0.86 0.10 -0.26 -0.04 1.46 0.40 2f16V1 LYS 202 HG3 -0.30 -0.01 0.07 -0.04 1.46 1.18 2f16V1 LYS 202 HD2 -0.13 -0.00 -0.06 -0.04 1.69 1.46 2f16V1 LYS 202 HD3 -0.27 -0.05 -0.11 -0.04 1.68 1.21 2f16V1 LYS 202 HE2 -0.17 0.01 0.00 -0.04 2.99 2.79 2f16V1 LYS 202 HE3 -0.07 -0.03 -0.03 -0.04 2.99 2.82 2f16V1 SER 203 H -0.28 0.22 0.15 -0.55 8.46 8.00 2f16V1 SER 203 HA -0.15 0.14 0.90 -0.75 4.49 4.62 2f16V1 SER 203 HB2 -0.09 0.05 0.04 -0.04 3.95 3.91 2f16V1 SER 203 HB3 -0.15 0.05 0.14 -0.04 3.93 3.93 2f16V1 TYR 204 H -0.00 0.16 0.08 -0.55 8.29 7.98 2f16V1 TYR 204 HA -0.27 0.27 0.75 -0.75 4.56 4.56 2f16V1 TYR 204 HB2 -0.14 -0.01 0.06 -0.04 3.06 2.93 2f16V1 TYR 204 HB3 -0.35 0.02 0.13 -0.04 2.98 2.73 2f16V1 TYR 204 HD2 -0.11 0.01 -0.04 -0.04 7.15 6.97 2f16V1 TYR 204 HE2 -0.04 0.00 -0.06 -0.04 6.85 6.71 2f16V1 LYS 205 H -0.13 0.02 -0.34 -0.55 8.42 7.42 2f16V1 LYS 205 HA 0.00 0.00 0.43 -0.75 4.32 4.00 2f16V1 LYS 205 HB2 -0.03 -0.05 0.07 -0.04 1.87 1.82 2f16V1 LYS 205 HB3 -0.06 0.02 0.05 -0.04 1.79 1.77 2f16V1 LYS 205 HG2 0.02 0.09 -0.18 -0.04 1.46 1.35 2f16V1 LYS 205 HG3 0.04 -0.01 0.02 -0.04 1.46 1.46 2f16V1 LYS 205 HD2 -0.00 -0.03 0.00 -0.04 1.69 1.62 2f16V1 LYS 205 HD3 -0.01 -0.00 -0.03 -0.04 1.68 1.60 2f16V1 LYS 205 HE2 0.01 0.01 -0.03 -0.04 2.99 2.94 2f16V1 LYS 205 HE3 0.02 -0.00 -0.01 -0.04 2.99 2.96 2f16V1 PHE 206 H 0.24 0.05 0.20 -0.55 8.34 8.27 2f16V1 PHE 206 HA 0.03 0.19 0.56 -0.75 4.62 4.64 2f16V1 PHE 206 HB2 0.02 -0.11 0.05 -0.04 3.15 3.08 2f16V1 PHE 206 HB3 0.02 0.07 0.00 -0.04 3.06 3.12 2f16V1 PHE 206 HD2 0.04 -0.04 0.06 -0.04 7.28 7.30 2f16V1 PHE 206 HE2 0.04 -0.04 0.01 -0.04 7.38 7.36 2f16V1 PHE 206 HZ 0.03 -0.04 0.01 -0.04 7.32 7.28 2f16V1 PRO 207 HA 0.06 0.03 0.53 -0.51 4.44 4.54 2f16V1 PRO 207 HB2 0.05 0.09 0.00 -0.04 2.28 2.38 2f16V1 PRO 207 HB3 0.04 0.02 0.10 -0.04 2.02 2.14 2f16V1 PRO 207 HG2 0.10 -0.01 0.10 -0.04 2.03 2.18 2f16V1 PRO 207 HG3 0.06 0.05 0.07 -0.04 2.03 2.18 2f16V1 PRO 207 HD2 0.20 0.06 0.22 -0.04 3.68 4.12 2f16V1 PRO 207 HD3 0.05 0.18 0.14 -0.04 3.65 3.98 2f16V1 ARG 208 H 0.05 0.10 0.18 -0.55 8.46 8.23 2f16V1 ARG 208 HA 0.05 -0.02 0.38 -0.75 4.34 3.98 2f16V1 ARG 208 HB2 0.02 0.01 0.10 -0.04 1.90 1.99 2f16V1 ARG 208 HB3 0.02 0.00 0.06 -0.04 1.80 1.84 2f16V1 ARG 208 HG2 0.04 0.03 0.08 -0.04 1.67 1.78 2f16V1 ARG 208 HG3 0.04 0.00 0.15 -0.04 1.67 1.82 2f16V1 ARG 208 HD2 0.02 0.00 0.04 -0.04 3.22 3.24 2f16V1 ARG 208 HD3 0.02 -0.00 0.03 -0.04 3.22 3.23 2f16V1 GLY 209 H 0.01 0.08 0.19 -0.55 8.43 8.17 2f16V1 GLY 209 HA2 0.00 0.04 0.33 -0.51 4.01 3.87 2f16V1 GLY 209 HA3 0.01 0.19 0.69 -0.51 4.01 4.39 2f16V1 THR 210 H 0.02 0.31 -0.11 -0.55 8.28 7.95 2f16V1 THR 210 HA 0.01 0.07 0.33 -0.75 4.39 4.05 2f16V1 THR 210 HB -0.05 -0.10 0.03 -0.04 4.32 4.17 2f16V1 THR 210 HG23 -0.04 -0.02 -0.07 -0.04 1.22 1.05 2f16V1 THR 211 H -0.05 -0.05 -0.33 -0.55 8.28 7.30 2f16V1 THR 211 HA -0.08 0.14 0.79 -0.75 4.39 4.48 2f16V1 THR 211 HB -0.06 -0.06 0.03 -0.04 4.32 4.19 2f16V1 THR 211 HG23 -0.06 0.03 -0.19 -0.04 1.22 0.95 2f16V1 ALA 212 H -0.04 0.14 0.15 -0.55 8.40 8.10 2f16V1 ALA 212 HA -0.02 0.08 0.47 -0.75 4.34 4.13 2f16V1 ALA 212 HB3 -0.02 0.01 0.07 -0.04 1.41 1.44 2f16V1 VAL 213 H -0.01 0.21 0.21 -0.55 8.24 8.09 2f16V1 VAL 213 HA -0.01 0.12 0.88 -0.75 4.13 4.36 2f16V1 VAL 213 HB -0.01 0.00 0.08 -0.04 2.12 2.15 2f16V1 VAL 213 HG13 -0.01 -0.02 -0.23 -0.04 0.97 0.67 2f16V1 VAL 213 HG23 -0.01 0.05 -0.10 -0.04 0.95 0.84 2f16V1 LEU 214 H -0.01 0.11 0.16 -0.55 8.37 8.09 2f16V1 LEU 214 HA -0.01 0.18 0.73 -0.75 4.35 4.50 2f16V1 LEU 214 HB2 -0.01 -0.04 0.14 -0.04 1.64 1.70 2f16V1 LEU 214 HB3 -0.01 0.01 -0.01 -0.04 1.64 1.60 2f16V1 LEU 214 HG -0.01 0.01 -0.02 -0.04 1.64 1.57 2f16V1 LEU 214 HD13 -0.01 -0.00 -0.00 -0.04 0.93 0.88 2f16V1 LEU 214 HD23 -0.01 0.01 -0.06 -0.04 0.89 0.80 2f16V1 LYS 215 H -0.01 0.16 0.17 -0.55 8.42 8.19 2f16V1 LYS 215 HA -0.00 0.17 0.69 -0.75 4.32 4.43 2f16V1 LYS 215 HB2 -0.00 0.09 -0.11 -0.04 1.87 1.80 2f16V1 LYS 215 HB3 -0.00 -0.05 -0.03 -0.04 1.79 1.67 2f16V1 LYS 215 HG2 -0.00 -0.02 -0.20 -0.04 1.46 1.19 2f16V1 LYS 215 HG3 -0.00 -0.03 0.12 -0.04 1.46 1.51 2f16V1 LYS 215 HD2 -0.00 0.01 -0.03 -0.04 1.69 1.62 2f16V1 LYS 215 HD3 -0.00 0.02 0.01 -0.04 1.68 1.66 2f16V1 LYS 215 HE2 -0.00 -0.02 -0.06 -0.04 2.99 2.86 2f16V1 LYS 215 HE3 -0.00 -0.01 -0.06 -0.04 2.99 2.87 2f16V1 GLU 216 H -0.00 0.30 0.19 -0.55 8.60 8.55 2f16V1 GLU 216 HA -0.00 0.14 0.74 -0.75 4.29 4.42 2f16V1 GLU 216 HB2 -0.00 0.03 -0.30 -0.04 2.09 1.78 2f16V1 GLU 216 HB3 -0.00 -0.00 -0.05 -0.04 1.99 1.90 2f16V1 GLU 216 HG2 -0.00 -0.01 -0.04 -0.04 2.34 2.25 2f16V1 GLU 216 HG3 -0.00 0.03 0.09 -0.04 2.34 2.42 2f16V1 SER 217 H -0.00 0.29 0.18 -0.55 8.46 8.38 2f16V1 SER 217 HA -0.00 0.05 0.45 -0.75 4.49 4.24 2f16V1 SER 217 HB2 -0.00 0.06 0.07 -0.04 3.95 4.03 2f16V1 SER 217 HB3 -0.00 0.17 0.01 -0.04 3.93 4.07 2f16V1 ILE 218 H 0.00 0.16 0.15 -0.55 8.25 8.01 2f16V1 ILE 218 HA 0.00 0.12 0.73 -0.75 4.18 4.28 2f16V1 ILE 218 HB 0.00 -0.01 0.08 -0.04 1.89 1.93 2f16V1 ILE 218 HG12 0.00 -0.06 -0.01 -0.04 1.49 1.39 2f16V1 ILE 218 HG13 0.00 0.02 0.01 -0.04 1.21 1.20 2f16V1 ILE 218 HG23 0.00 0.01 -0.12 -0.04 0.93 0.78 2f16V1 ILE 218 HD13 0.00 0.02 -0.04 -0.04 0.88 0.82 2f16V1 VAL 219 H 0.00 0.15 0.17 -0.55 8.24 8.01 2f16V1 VAL 219 HA 0.00 0.17 0.83 -0.75 4.13 4.38 2f16V1 VAL 219 HB 0.00 -0.03 0.05 -0.04 2.12 2.10 2f16V1 VAL 219 HG13 0.00 0.03 -0.12 -0.04 0.97 0.84 2f16V1 VAL 219 HG23 0.00 0.02 -0.07 -0.04 0.95 0.86 2f16V1 ASN 220 H 0.00 0.18 0.12 -0.55 8.53 8.29 2f16V1 ASN 220 HA 0.00 0.03 0.69 -0.75 4.76 4.73 2f16V1 ASN 220 HB2 0.00 -0.01 0.04 -0.04 2.88 2.87 2f16V1 ASN 220 HB3 0.00 -0.00 0.17 -0.04 2.79 2.92 2f16V1 ASN 220 HD21 0.00 0.21 -0.07 -0.04 7.03 7.13 2f16V1 ASN 220 HD22 0.00 -0.09 -0.03 -0.04 7.74 7.58 2f16V1 ILE 221 H 0.00 0.07 0.19 -0.55 8.25 7.96 2f16V1 ILE 221 HA 0.00 0.17 0.70 -0.75 4.18 4.30 2f16V1 ILE 221 HB 0.00 -0.10 0.18 -0.04 1.89 1.93 2f16V1 ILE 221 HG12 0.00 0.06 -0.08 -0.04 1.49 1.43 2f16V1 ILE 221 HG13 0.00 -0.01 0.01 -0.04 1.21 1.17 2f16V1 ILE 221 HG23 0.00 -0.00 -0.14 -0.04 0.93 0.75 2f16V1 ILE 221 HD13 0.00 0.02 -0.09 -0.04 0.88 0.77 2f16V1 CYS 222 H 0.00 -0.03 0.12 -0.55 8.50 8.05 2f16V1 CYS 222 HA 0.00 0.01 0.33 -0.75 4.58 4.17 2f16V1 CYS 222 HB2 0.00 0.02 0.03 -0.04 2.97 2.98 2f16V1 CYS 222 HB3 0.00 -0.02 0.04 -0.04 2.97 2.95 2f16V1 ASP 223 H 0.00 0.05 0.07 -0.55 8.40 7.98 2f16V1 ASP 223 HA 0.00 0.29 0.67 -0.75 4.63 4.84 2f16V1 ASP 223 HB2 0.00 0.02 0.07 -0.04 2.71 2.75 2f16V1 ASP 223 HB3 0.00 0.09 -0.00 -0.04 2.70 2.75