============================================================================= 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. HIS 19 0.900 -46.092 -0.464 27.684 -99.200 -91.000 PHE 32 1.000 -58.749 10.152 15.102 -99.200 -91.000 PHE 55 1.000 -41.557 5.531 28.530 -99.200 -91.000 PHE 59 1.000 -46.617 8.253 25.770 -99.200 -91.000 TYR 65 0.840 -58.899 11.420 11.186 -99.200 -91.000 TYR 104 0.840 -56.048 18.357 10.106 -99.200 -91.000 PHE 109 1.000 -42.839 4.183 6.138 -99.200 -91.000 TRP 122 1.040 -54.911 -0.768 -4.937 -99.200 -91.000 TRP6 122 1.020 -57.250 -0.630 -5.209 -99.200 -91.000 PHE 127 1.000 -60.746 5.681 -0.756 -99.200 -91.000 HIS 133 0.900 -41.477 7.643 -1.800 -99.200 -91.000 PHE 147 1.000 -41.739 -20.349 8.070 -99.200 -91.000 TYR 149 0.840 -42.595 -19.020 19.703 -99.200 -91.000 PHE 150 1.000 -45.848 -20.861 14.894 -99.200 -91.000 PHE 155 1.000 -35.230 -26.617 12.899 -99.200 -91.000 PHE 165 1.000 -37.399 -13.947 0.210 -99.200 -91.000 HIS 170 0.900 -51.228 -11.597 7.511 -99.200 -91.000 TYR 180 0.840 -33.817 -17.186 -2.063 -99.200 -91.000 TRP 196 1.040 -30.070 -30.010 12.238 -99.200 -91.000 TRP6 196 1.020 -29.990 -27.935 13.374 -99.200 -91.000 PHE 226 1.000 -53.534 -7.535 22.974 -99.200 -91.000 TYR 227 0.840 -49.434 -8.183 24.478 -99.200 -91.000 TYR 240 0.840 -39.991 7.516 7.578 -99.200 -91.000 TYR 258 0.840 -41.042 -10.074 -7.160 -99.200 -91.000 TYR 264 0.840 -49.611 -0.203 -1.753 -99.200 -91.000 PHE 292 1.000 -45.345 -12.494 -6.451 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3gvhC1 ALA 2 HA 0.01 -0.10 0.14 -0.75 4.34 3.64 3gvhC1 ALA 2 HB3 0.01 -0.01 0.04 -0.04 1.41 1.40 3gvhC1 ARG 3 H 0.00 0.03 0.11 -0.55 8.46 8.05 3gvhC1 ARG 3 HA 0.01 0.22 0.96 -0.75 4.34 4.77 3gvhC1 ARG 3 HB2 -0.01 -0.08 0.13 -0.04 1.90 1.90 3gvhC1 ARG 3 HB3 -0.00 0.02 0.17 -0.04 1.80 1.94 3gvhC1 ARG 3 HG2 0.01 0.08 0.05 -0.04 1.67 1.76 3gvhC1 ARG 3 HG3 0.00 -0.04 -0.07 -0.04 1.67 1.52 3gvhC1 ARG 3 HD2 -0.01 -0.10 0.01 -0.04 3.22 3.08 3gvhC1 ARG 3 HD3 -0.00 0.03 0.00 -0.04 3.22 3.21 3gvhC1 ASN 4 H 0.01 0.16 0.15 -0.55 8.53 8.30 3gvhC1 ASN 4 HA 0.03 0.09 0.63 -0.75 4.76 4.75 3gvhC1 ASN 4 HB2 0.02 0.23 0.21 -0.04 2.88 3.30 3gvhC1 ASN 4 HB3 0.05 -0.06 0.07 -0.04 2.79 2.81 3gvhC1 ASN 4 HD21 0.01 0.04 0.05 -0.04 7.03 7.09 3gvhC1 ASN 4 HD22 0.03 -0.02 0.06 -0.04 7.74 7.78 3gvhC1 LYS 5 H 0.04 0.14 0.23 -0.55 8.42 8.28 3gvhC1 LYS 5 HA -0.01 0.23 0.88 -0.75 4.32 4.67 3gvhC1 LYS 5 HB2 0.01 0.08 -0.12 -0.04 1.87 1.80 3gvhC1 LYS 5 HB3 0.02 -0.05 0.06 -0.04 1.79 1.78 3gvhC1 LYS 5 HG2 0.01 -0.08 -0.34 -0.04 1.46 1.01 3gvhC1 LYS 5 HG3 -0.01 -0.03 -0.16 -0.04 1.46 1.22 3gvhC1 LYS 5 HD2 0.00 -0.06 -0.13 -0.04 1.69 1.46 3gvhC1 LYS 5 HD3 0.01 0.09 -0.25 -0.04 1.68 1.50 3gvhC1 LYS 5 HE2 0.01 -0.09 -0.33 -0.04 2.99 2.53 3gvhC1 LYS 5 HE3 -0.00 -0.10 -0.14 -0.04 2.99 2.71 3gvhC1 ILE 6 H -0.01 0.77 0.26 -0.55 8.25 8.72 3gvhC1 ILE 6 HA 0.03 0.26 1.02 -0.75 4.18 4.74 3gvhC1 ILE 6 HB 0.01 0.02 0.00 -0.04 1.89 1.88 3gvhC1 ILE 6 HG12 0.05 0.00 -0.16 -0.04 1.49 1.34 3gvhC1 ILE 6 HG13 0.03 -0.02 -0.49 -0.04 1.21 0.69 3gvhC1 ILE 6 HG23 0.04 -0.03 -0.27 -0.04 0.93 0.63 3gvhC1 ILE 6 HD13 0.03 0.01 -0.28 -0.04 0.88 0.60 3gvhC1 ALA 7 H 0.02 0.66 0.37 -0.55 8.40 8.90 3gvhC1 ALA 7 HA 0.04 0.22 1.03 -0.75 4.34 4.87 3gvhC1 ALA 7 HB3 0.02 0.00 0.05 -0.04 1.41 1.44 3gvhC1 LEU 8 H 0.06 0.79 0.36 -0.55 8.37 9.04 3gvhC1 LEU 8 HA 0.04 0.18 0.97 -0.75 4.35 4.79 3gvhC1 LEU 8 HB2 0.07 -0.07 0.25 -0.04 1.64 1.85 3gvhC1 LEU 8 HB3 0.05 0.00 0.08 -0.04 1.64 1.74 3gvhC1 LEU 8 HG 0.06 0.06 -0.31 -0.04 1.64 1.40 3gvhC1 LEU 8 HD13 0.08 0.04 -0.15 -0.04 0.93 0.86 3gvhC1 LEU 8 HD23 0.04 0.00 -0.16 -0.04 0.89 0.74 3gvhC1 ILE 9 H 0.05 0.71 0.23 -0.55 8.25 8.69 3gvhC1 ILE 9 HA 0.20 0.09 0.73 -0.75 4.18 4.45 3gvhC1 ILE 9 HB 0.06 -0.13 0.24 -0.04 1.89 2.02 3gvhC1 ILE 9 HG12 0.02 0.06 -0.19 -0.04 1.49 1.35 3gvhC1 ILE 9 HG13 0.03 0.05 -0.09 -0.04 1.21 1.16 3gvhC1 ILE 9 HG23 0.12 -0.02 -0.07 -0.04 0.93 0.91 3gvhC1 ILE 9 HD13 -0.08 0.02 -0.27 -0.04 0.88 0.51 3gvhC1 GLY 10 H 0.16 0.76 0.17 -0.55 8.43 8.97 3gvhC1 GLY 10 HA2 0.04 -0.08 0.46 -0.51 4.01 3.92 3gvhC1 GLY 10 HA3 0.05 0.03 0.74 -0.51 4.01 4.32 3gvhC1 SER 11 H -0.03 0.10 0.11 -0.55 8.46 8.10 3gvhC1 SER 11 HA -0.01 0.18 0.73 -0.75 4.49 4.63 3gvhC1 SER 11 HB2 -0.06 -0.04 -0.04 -0.04 3.95 3.77 3gvhC1 SER 11 HB3 -0.04 0.03 0.01 -0.04 3.93 3.89 3gvhC1 GLY 12 H -0.04 0.03 -0.15 -0.55 8.43 7.72 3gvhC1 GLY 12 HA2 -0.09 0.22 0.55 -0.51 4.01 4.19 3gvhC1 GLY 12 HA3 -0.08 0.02 0.35 -0.51 4.01 3.79 3gvhC1 MET 13 H -0.20 0.18 0.11 -0.55 8.47 8.02 3gvhC1 MET 13 HA -0.37 0.16 0.29 -0.75 4.52 3.85 3gvhC1 MET 13 HB2 -0.53 -0.02 0.06 -0.04 2.15 1.62 3gvhC1 MET 13 HB3 -1.83 0.04 0.00 -0.04 2.03 0.20 3gvhC1 MET 13 HG2 -0.32 -0.08 0.11 -0.04 2.63 2.30 3gvhC1 MET 13 HG3 -0.54 0.08 0.03 -0.04 2.56 2.09 3gvhC1 MET 13 HE3 -0.38 0.01 -0.05 -0.04 2.10 1.64 3gvhC1 ILE 14 H -0.08 0.08 -0.10 -0.55 8.25 7.59 3gvhC1 ILE 14 HA 0.05 0.13 0.52 -0.75 4.18 4.13 3gvhC1 ILE 14 HB 0.01 -0.05 0.01 -0.04 1.89 1.81 3gvhC1 ILE 14 HG12 0.10 0.00 0.11 -0.04 1.49 1.66 3gvhC1 ILE 14 HG13 0.05 -0.06 0.06 -0.04 1.21 1.22 3gvhC1 ILE 14 HG23 0.04 0.02 -0.22 -0.04 0.93 0.73 3gvhC1 ILE 14 HD13 0.04 0.04 -0.02 -0.04 0.88 0.90 3gvhC1 GLY 15 H -0.02 -0.04 -0.39 -0.55 8.43 7.44 3gvhC1 GLY 15 HA2 0.03 0.07 0.24 -0.51 4.01 3.84 3gvhC1 GLY 15 HA3 0.00 0.20 0.19 -0.51 4.01 3.89 3gvhC1 GLY 16 H -0.05 0.51 -0.31 -0.55 8.43 8.05 3gvhC1 GLY 16 HA2 0.00 0.05 0.43 -0.51 4.01 3.98 3gvhC1 GLY 16 HA3 -0.04 0.10 0.20 -0.51 4.01 3.76 3gvhC1 THR 17 H 0.01 0.38 -0.31 -0.55 8.28 7.81 3gvhC1 THR 17 HA 0.15 0.04 0.40 -0.75 4.39 4.23 3gvhC1 THR 17 HB 0.08 0.07 0.12 -0.04 4.32 4.55 3gvhC1 THR 17 HG23 0.17 -0.02 -0.05 -0.04 1.22 1.28 3gvhC1 LEU 18 H 0.06 0.58 -0.09 -0.55 8.37 8.37 3gvhC1 LEU 18 HA 0.06 0.01 0.35 -0.75 4.35 4.02 3gvhC1 LEU 18 HB2 0.05 0.19 0.08 -0.04 1.64 1.93 3gvhC1 LEU 18 HB3 0.05 0.01 -0.08 -0.04 1.64 1.58 3gvhC1 LEU 18 HG 0.05 0.15 -0.06 -0.04 1.64 1.74 3gvhC1 LEU 18 HD13 0.03 -0.03 -0.19 -0.04 0.93 0.71 3gvhC1 LEU 18 HD23 0.04 -0.01 -0.05 -0.04 0.89 0.84 3gvhC1 ALA 19 H 0.09 0.38 -0.40 -0.55 8.40 7.92 3gvhC1 ALA 19 HA 0.17 0.05 0.21 -0.75 4.34 4.01 3gvhC1 ALA 19 HB3 0.16 0.02 0.02 -0.04 1.41 1.57 3gvhC1 HIS 20 H 0.17 0.46 -0.17 -0.55 8.41 8.33 3gvhC1 HIS 20 HA -0.01 0.05 0.42 -0.75 4.63 4.34 3gvhC1 HIS 20 HB2 0.03 0.07 0.11 -0.04 3.26 3.42 3gvhC1 HIS 20 HB3 0.05 0.02 0.13 -0.04 3.20 3.36 3gvhC1 HIS 20 HD2 0.03 0.01 0.05 -0.04 6.97 7.01 3gvhC1 HIS 20 HE1 0.06 -0.01 -0.04 -0.04 7.75 7.72 3gvhC1 LEU 21 H 0.08 0.68 -0.08 -0.55 8.37 8.50 3gvhC1 LEU 21 HA -0.12 0.00 0.35 -0.75 4.35 3.83 3gvhC1 LEU 21 HB2 0.03 0.08 0.07 -0.04 1.64 1.78 3gvhC1 LEU 21 HB3 -0.00 -0.02 -0.09 -0.04 1.64 1.49 3gvhC1 LEU 21 HG 0.03 0.02 0.00 -0.04 1.64 1.65 3gvhC1 LEU 21 HD13 0.06 -0.03 -0.23 -0.04 0.93 0.69 3gvhC1 LEU 21 HD23 -0.03 -0.01 -0.04 -0.04 0.89 0.77 3gvhC1 ALA 22 H 0.05 0.59 -0.28 -0.55 8.40 8.21 3gvhC1 ALA 22 HA -0.00 -0.00 0.27 -0.75 4.34 3.85 3gvhC1 ALA 22 HB3 0.05 0.01 -0.06 -0.04 1.41 1.37 3gvhC1 GLY 23 H 0.05 0.45 -0.29 -0.55 8.43 8.09 3gvhC1 GLY 23 HA2 -0.06 0.06 0.41 -0.51 4.01 3.91 3gvhC1 GLY 23 HA3 -0.12 0.06 0.26 -0.51 4.01 3.70 3gvhC1 LEU 24 H -0.43 0.65 0.04 -0.55 8.37 8.09 3gvhC1 LEU 24 HA -0.55 0.00 0.38 -0.75 4.35 3.43 3gvhC1 LEU 24 HB2 -0.23 0.03 0.10 -0.04 1.64 1.50 3gvhC1 LEU 24 HB3 -0.15 -0.03 -0.04 -0.04 1.64 1.37 3gvhC1 LEU 24 HG -0.36 0.09 0.05 -0.04 1.64 1.37 3gvhC1 LEU 24 HD13 -0.51 -0.04 -0.11 -0.04 0.93 0.23 3gvhC1 LEU 24 HD23 0.04 -0.01 -0.00 -0.04 0.89 0.88 3gvhC1 LYS 25 H -0.16 0.48 -0.36 -0.55 8.42 7.83 3gvhC1 LYS 25 HA -0.05 0.09 0.50 -0.75 4.32 4.12 3gvhC1 LYS 25 HB2 -0.04 0.07 0.01 -0.04 1.87 1.88 3gvhC1 LYS 25 HB3 -0.02 -0.04 0.06 -0.04 1.79 1.76 3gvhC1 LYS 25 HG2 -0.03 -0.02 -0.07 -0.04 1.46 1.30 3gvhC1 LYS 25 HG3 -0.07 -0.04 -0.08 -0.04 1.46 1.24 3gvhC1 LYS 25 HD2 -0.02 -0.01 -0.11 -0.04 1.69 1.50 3gvhC1 LYS 25 HD3 -0.01 -0.00 -0.08 -0.04 1.68 1.54 3gvhC1 LYS 25 HE2 -0.02 -0.03 -0.06 -0.04 2.99 2.83 3gvhC1 LYS 25 HE3 -0.00 -0.07 -0.08 -0.04 2.99 2.80 3gvhC1 GLU 26 H -0.13 0.38 -0.53 -0.55 8.60 7.78 3gvhC1 GLU 26 HA 0.01 0.03 0.33 -0.75 4.29 3.90 3gvhC1 GLU 26 HB2 0.02 0.13 -0.19 -0.04 2.09 2.01 3gvhC1 GLU 26 HB3 0.04 -0.06 0.20 -0.04 1.99 2.14 3gvhC1 GLU 26 HG2 0.14 -0.09 0.04 -0.04 2.34 2.40 3gvhC1 GLU 26 HG3 0.06 0.13 -0.14 -0.04 2.34 2.35 3gvhC1 LEU 27 H -0.02 0.50 -0.06 -0.55 8.37 8.24 3gvhC1 LEU 27 HA 0.01 0.15 0.53 -0.75 4.35 4.28 3gvhC1 LEU 27 HB2 0.01 -0.03 -0.03 -0.04 1.64 1.55 3gvhC1 LEU 27 HB3 0.03 -0.06 -0.02 -0.04 1.64 1.54 3gvhC1 LEU 27 HG -0.01 0.02 -0.20 -0.04 1.64 1.41 3gvhC1 LEU 27 HD13 0.03 -0.04 -0.11 -0.04 0.93 0.76 3gvhC1 LEU 27 HD23 0.01 0.02 -0.11 -0.04 0.89 0.77 3gvhC1 GLY 28 H -0.02 0.19 -0.12 -0.55 8.43 7.94 3gvhC1 GLY 28 HA2 -0.01 0.01 0.17 -0.51 4.01 3.66 3gvhC1 GLY 28 HA3 -0.01 0.20 0.72 -0.51 4.01 4.41 3gvhC1 ASP 29 H -0.04 0.52 0.25 -0.55 8.40 8.57 3gvhC1 ASP 29 HA -0.23 0.06 0.78 -0.75 4.63 4.50 3gvhC1 ASP 29 HB2 -0.05 0.12 0.15 -0.04 2.71 2.88 3gvhC1 ASP 29 HB3 -0.09 0.00 0.01 -0.04 2.70 2.59 3gvhC1 VAL 30 H -0.34 0.75 0.36 -0.55 8.24 8.46 3gvhC1 VAL 30 HA -0.04 0.30 1.05 -0.75 4.13 4.68 3gvhC1 VAL 30 HB -0.28 -0.00 0.10 -0.04 2.12 1.90 3gvhC1 VAL 30 HG13 0.15 -0.05 -0.27 -0.04 0.97 0.75 3gvhC1 VAL 30 HG23 -0.03 0.04 -0.28 -0.04 0.95 0.64 3gvhC1 VAL 31 H 0.02 0.75 0.36 -0.55 8.24 8.81 3gvhC1 VAL 31 HA 0.04 0.21 1.00 -0.75 4.13 4.63 3gvhC1 VAL 31 HB 0.03 -0.07 0.10 -0.04 2.12 2.14 3gvhC1 VAL 31 HG13 0.06 -0.04 -0.38 -0.04 0.97 0.57 3gvhC1 VAL 31 HG23 0.01 0.06 -0.17 -0.04 0.95 0.81 3gvhC1 LEU 32 H 0.07 0.67 0.29 -0.55 8.37 8.85 3gvhC1 LEU 32 HA 0.08 0.15 0.90 -0.75 4.35 4.72 3gvhC1 LEU 32 HB2 0.05 0.05 0.19 -0.04 1.64 1.89 3gvhC1 LEU 32 HB3 0.02 -0.11 0.01 -0.04 1.64 1.51 3gvhC1 LEU 32 HG 0.11 0.04 -0.13 -0.04 1.64 1.62 3gvhC1 LEU 32 HD13 0.06 -0.01 -0.09 -0.04 0.93 0.85 3gvhC1 LEU 32 HD23 0.04 0.02 -0.13 -0.04 0.89 0.78 3gvhC1 PHE 33 H 0.16 0.78 0.31 -0.55 8.34 9.03 3gvhC1 PHE 33 HA -0.08 0.30 1.05 -0.75 4.62 5.13 3gvhC1 PHE 33 HB2 -0.09 0.03 -0.15 -0.04 3.15 2.90 3gvhC1 PHE 33 HB3 -0.06 0.03 0.08 -0.04 3.06 3.07 3gvhC1 PHE 33 HD2 -0.18 -0.08 -0.40 -0.04 7.28 6.58 3gvhC1 PHE 33 HE2 -0.38 -0.13 -0.46 -0.04 7.38 6.37 3gvhC1 PHE 33 HZ -0.74 0.04 -0.21 -0.04 7.32 6.38 3gvhC1 ASP 34 H -0.91 0.72 0.32 -0.55 8.40 7.99 3gvhC1 ASP 34 HA -0.32 -0.01 0.43 -0.75 4.63 3.97 3gvhC1 ASP 34 HB2 -0.16 0.03 -0.30 -0.04 2.71 2.24 3gvhC1 ASP 34 HB3 -0.22 0.18 -0.05 -0.04 2.70 2.57 3gvhC1 ILE 35 H -0.21 0.07 0.16 -0.55 8.25 7.72 3gvhC1 ILE 35 HA -0.29 0.20 0.65 -0.75 4.18 4.00 3gvhC1 ILE 35 HB -0.06 0.07 0.11 -0.04 1.89 1.96 3gvhC1 ILE 35 HG12 -0.07 -0.18 0.15 -0.04 1.49 1.34 3gvhC1 ILE 35 HG13 -0.06 0.05 -0.12 -0.04 1.21 1.04 3gvhC1 ILE 35 HG23 0.02 0.00 0.03 -0.04 0.93 0.94 3gvhC1 ILE 35 HD13 -0.00 0.02 0.03 -0.04 0.88 0.88 3gvhC1 ALA 36 H -0.14 -0.06 -0.03 -0.55 8.40 7.63 3gvhC1 ALA 36 HA -0.08 0.08 0.55 -0.75 4.34 4.13 3gvhC1 ALA 36 HB3 -0.08 0.01 0.07 -0.04 1.41 1.37 3gvhC1 GLU 37 H -0.08 0.16 0.22 -0.55 8.60 8.35 3gvhC1 GLU 37 HA -0.09 0.06 0.50 -0.75 4.29 4.01 3gvhC1 GLU 37 HB2 -0.05 -0.01 0.15 -0.04 2.09 2.14 3gvhC1 GLU 37 HB3 -0.05 0.02 -0.00 -0.04 1.99 1.92 3gvhC1 GLU 37 HG2 -0.05 0.00 0.06 -0.04 2.34 2.31 3gvhC1 GLU 37 HG3 -0.07 0.08 0.10 -0.04 2.34 2.40 3gvhC1 GLY 38 H -0.07 0.15 0.08 -0.55 8.43 8.05 3gvhC1 GLY 38 HA2 -0.04 0.03 0.35 -0.51 4.01 3.83 3gvhC1 GLY 38 HA3 -0.05 0.20 0.40 -0.51 4.01 4.05 3gvhC1 THR 39 H -0.07 0.37 -0.60 -0.55 8.28 7.43 3gvhC1 THR 39 HA -0.05 0.06 0.36 -0.75 4.39 4.01 3gvhC1 THR 39 HB -0.08 0.03 0.03 -0.04 4.32 4.26 3gvhC1 THR 39 HG23 -0.07 -0.00 -0.05 -0.04 1.22 1.06 3gvhC1 PRO 40 HA -0.04 0.08 0.28 -0.51 4.44 4.25 3gvhC1 PRO 40 HB2 -0.05 0.04 0.02 -0.04 2.28 2.26 3gvhC1 PRO 40 HB3 -0.07 -0.01 -0.18 -0.04 2.02 1.72 3gvhC1 PRO 40 HG2 -0.11 -0.05 -0.11 -0.04 2.03 1.72 3gvhC1 PRO 40 HG3 -0.19 0.11 -0.06 -0.04 2.03 1.85 3gvhC1 PRO 40 HD2 -0.10 0.10 -0.11 -0.04 3.68 3.54 3gvhC1 PRO 40 HD3 -0.11 0.06 0.01 -0.04 3.65 3.57 3gvhC1 GLN 41 H -0.05 0.09 -0.41 -0.55 8.47 7.55 3gvhC1 GLN 41 HA -0.01 0.02 0.49 -0.75 4.36 4.10 3gvhC1 GLN 41 HB2 -0.03 0.05 0.09 -0.04 2.15 2.21 3gvhC1 GLN 41 HB3 -0.02 0.06 0.02 -0.04 2.02 2.04 3gvhC1 GLN 41 HG2 -0.03 0.06 0.02 -0.04 2.40 2.41 3gvhC1 GLN 41 HG3 -0.02 0.12 -0.00 -0.04 2.39 2.44 3gvhC1 GLN 41 HE21 -0.09 -0.01 -0.16 -0.04 6.97 6.67 3gvhC1 GLN 41 HE22 -0.05 0.15 -0.11 -0.04 7.69 7.64 3gvhC1 GLY 42 H -0.04 0.65 -0.09 -0.55 8.43 8.41 3gvhC1 GLY 42 HA2 -0.03 0.03 0.44 -0.51 4.01 3.94 3gvhC1 GLY 42 HA3 -0.04 0.08 0.32 -0.51 4.01 3.87 3gvhC1 LYS 43 H -0.04 0.53 -0.01 -0.55 8.42 8.35 3gvhC1 LYS 43 HA -0.06 0.06 0.49 -0.75 4.32 4.05 3gvhC1 LYS 43 HB2 -0.03 0.02 0.10 -0.04 1.87 1.92 3gvhC1 LYS 43 HB3 -0.05 -0.02 0.01 -0.04 1.79 1.70 3gvhC1 LYS 43 HG2 -0.07 -0.01 0.00 -0.04 1.46 1.34 3gvhC1 LYS 43 HG3 -0.06 0.05 0.04 -0.04 1.46 1.45 3gvhC1 LYS 43 HD2 -0.06 0.06 -0.02 -0.04 1.69 1.63 3gvhC1 LYS 43 HD3 -0.06 -0.09 -0.02 -0.04 1.68 1.47 3gvhC1 LYS 43 HE2 -0.09 -0.03 -0.05 -0.04 2.99 2.78 3gvhC1 LYS 43 HE3 -0.08 -0.03 -0.02 -0.04 2.99 2.83 3gvhC1 GLY 44 H -0.00 0.53 -0.17 -0.55 8.43 8.24 3gvhC1 GLY 44 HA2 0.05 0.01 0.29 -0.51 4.01 3.85 3gvhC1 GLY 44 HA3 0.08 0.06 0.15 -0.51 4.01 3.79 3gvhC1 LEU 45 H -0.01 0.52 -0.16 -0.55 8.37 8.17 3gvhC1 LEU 45 HA 0.01 0.05 0.43 -0.75 4.35 4.09 3gvhC1 LEU 45 HB2 -0.00 0.08 0.17 -0.04 1.64 1.85 3gvhC1 LEU 45 HB3 -0.02 0.04 0.14 -0.04 1.64 1.75 3gvhC1 LEU 45 HG -0.02 -0.01 -0.08 -0.04 1.64 1.49 3gvhC1 LEU 45 HD13 0.01 -0.01 0.08 -0.04 0.93 0.97 3gvhC1 LEU 45 HD23 -0.01 -0.01 0.01 -0.04 0.89 0.84 3gvhC1 ASP 46 H -0.06 0.53 -0.16 -0.55 8.40 8.17 3gvhC1 ASP 46 HA -0.06 -0.00 0.38 -0.75 4.63 4.19 3gvhC1 ASP 46 HB2 -0.06 0.09 0.16 -0.04 2.71 2.86 3gvhC1 ASP 46 HB3 -0.09 0.03 0.20 -0.04 2.70 2.80 3gvhC1 ILE 47 H -0.18 0.68 -0.08 -0.55 8.25 8.12 3gvhC1 ILE 47 HA -0.19 -0.01 0.35 -0.75 4.18 3.57 3gvhC1 ILE 47 HB -0.63 0.08 0.09 -0.04 1.89 1.39 3gvhC1 ILE 47 HG12 -0.24 -0.06 -0.02 -0.04 1.49 1.12 3gvhC1 ILE 47 HG13 -0.19 0.04 0.05 -0.04 1.21 1.08 3gvhC1 ILE 47 HG23 -0.44 0.01 -0.15 -0.04 0.93 0.31 3gvhC1 ILE 47 HD13 -0.06 -0.02 -0.17 -0.04 0.88 0.58 3gvhC1 ALA 48 H -0.26 0.54 -0.16 -0.55 8.40 7.97 3gvhC1 ALA 48 HA -0.01 0.04 0.39 -0.75 4.34 4.00 3gvhC1 ALA 48 HB3 0.12 0.00 0.18 -0.04 1.41 1.67 3gvhC1 GLU 49 H -0.07 0.66 -0.05 -0.55 8.60 8.60 3gvhC1 GLU 49 HA -0.04 0.02 0.56 -0.75 4.29 4.07 3gvhC1 GLU 49 HB2 -0.05 0.14 0.17 -0.04 2.09 2.31 3gvhC1 GLU 49 HB3 -0.03 -0.08 0.08 -0.04 1.99 1.91 3gvhC1 GLU 49 HG2 -0.02 -0.05 0.06 -0.04 2.34 2.29 3gvhC1 GLU 49 HG3 -0.02 0.10 0.08 -0.04 2.34 2.45 3gvhC1 SER 50 H -0.08 0.40 -0.41 -0.55 8.46 7.83 3gvhC1 SER 50 HA -0.03 0.03 0.65 -0.75 4.49 4.39 3gvhC1 SER 50 HB2 0.04 -0.12 0.13 -0.04 3.95 3.95 3gvhC1 SER 50 HB3 -0.04 0.04 0.12 -0.04 3.93 4.02 3gvhC1 SER 51 H -0.15 0.42 -0.28 -0.55 8.46 7.90 3gvhC1 SER 51 HA -1.09 -0.09 0.21 -0.75 4.49 2.76 3gvhC1 SER 51 HB2 -0.88 0.19 0.15 -0.04 3.95 3.37 3gvhC1 SER 51 HB3 -0.31 -0.03 0.15 -0.04 3.93 3.70 3gvhC1 PRO 52 HA -0.11 0.09 0.47 -0.51 4.44 4.37 3gvhC1 PRO 52 HB2 -0.05 0.02 -0.01 -0.04 2.28 2.20 3gvhC1 PRO 52 HB3 -0.05 -0.02 0.09 -0.04 2.02 2.00 3gvhC1 PRO 52 HG2 -0.05 0.02 0.06 -0.04 2.03 2.02 3gvhC1 PRO 52 HG3 -0.06 0.01 0.04 -0.04 2.03 1.98 3gvhC1 PRO 52 HD2 -0.09 0.32 -0.33 -0.04 3.68 3.54 3gvhC1 PRO 52 HD3 -0.12 0.28 0.08 -0.04 3.65 3.85 3gvhC1 VAL 53 H -0.09 0.44 -0.32 -0.55 8.24 7.73 3gvhC1 VAL 53 HA -0.02 0.03 0.40 -0.75 4.13 3.79 3gvhC1 VAL 53 HB 0.01 0.15 0.19 -0.04 2.12 2.43 3gvhC1 VAL 53 HG13 0.02 -0.03 -0.10 -0.04 0.97 0.83 3gvhC1 VAL 53 HG23 -0.01 -0.02 0.05 -0.04 0.95 0.94 3gvhC1 ASP 54 H -0.05 0.20 -0.02 -0.55 8.40 7.98 3gvhC1 ASP 54 HA 0.06 0.10 0.63 -0.75 4.63 4.67 3gvhC1 ASP 54 HB2 0.28 0.01 0.08 -0.04 2.71 3.03 3gvhC1 ASP 54 HB3 0.23 0.01 0.08 -0.04 2.70 2.98 3gvhC1 GLY 55 H -0.16 0.54 -0.07 -0.55 8.43 8.20 3gvhC1 GLY 55 HA2 -0.07 0.00 0.25 -0.51 4.01 3.69 3gvhC1 GLY 55 HA3 0.00 0.06 0.50 -0.51 4.01 4.06 3gvhC1 PHE 56 H -0.28 0.03 -0.10 -0.55 8.34 7.44 3gvhC1 PHE 56 HA 0.04 0.11 0.72 -0.75 4.62 4.74 3gvhC1 PHE 56 HB2 0.07 0.04 0.02 -0.04 3.15 3.24 3gvhC1 PHE 56 HB3 0.06 0.07 0.02 -0.04 3.06 3.16 3gvhC1 PHE 56 HD2 0.13 0.01 -0.19 -0.04 7.28 7.19 3gvhC1 PHE 56 HE2 0.21 -0.02 -0.10 -0.04 7.38 7.43 3gvhC1 PHE 56 HZ 0.09 0.01 -0.11 -0.04 7.32 7.27 3gvhC1 ASP 57 H 0.17 0.21 0.10 -0.55 8.40 8.33 3gvhC1 ASP 57 HA 0.07 0.14 0.86 -0.75 4.63 4.95 3gvhC1 ASP 57 HB2 0.06 0.01 0.16 -0.04 2.71 2.90 3gvhC1 ASP 57 HB3 0.04 -0.04 -0.00 -0.04 2.70 2.66 3gvhC1 ALA 58 H 0.18 0.34 0.05 -0.55 8.40 8.42 3gvhC1 ALA 58 HA -0.01 0.07 0.55 -0.75 4.34 4.20 3gvhC1 ALA 58 HB3 0.03 0.05 -0.10 -0.04 1.41 1.35 3gvhC1 LYS 59 H -0.12 0.12 0.13 -0.55 8.42 8.00 3gvhC1 LYS 59 HA 0.02 0.14 0.81 -0.75 4.32 4.55 3gvhC1 LYS 59 HB2 -0.07 -0.03 0.12 -0.04 1.87 1.85 3gvhC1 LYS 59 HB3 -0.03 0.03 -0.04 -0.04 1.79 1.71 3gvhC1 LYS 59 HG2 0.01 0.03 0.01 -0.04 1.46 1.47 3gvhC1 LYS 59 HG3 -0.01 -0.01 -0.03 -0.04 1.46 1.37 3gvhC1 LYS 59 HD2 -0.02 0.01 -0.02 -0.04 1.69 1.63 3gvhC1 LYS 59 HD3 0.00 -0.00 -0.03 -0.04 1.68 1.61 3gvhC1 LYS 59 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.92 3gvhC1 LYS 59 HE3 0.00 0.01 -0.03 -0.04 2.99 2.93 3gvhC1 PHE 60 H 0.19 0.22 0.18 -0.55 8.34 8.38 3gvhC1 PHE 60 HA 0.04 0.34 0.93 -0.75 4.62 5.18 3gvhC1 PHE 60 HB2 0.04 0.05 0.13 -0.04 3.15 3.33 3gvhC1 PHE 60 HB3 0.04 -0.13 0.05 -0.04 3.06 2.98 3gvhC1 PHE 60 HD2 0.07 -0.04 -0.07 -0.04 7.28 7.21 3gvhC1 PHE 60 HE2 0.19 0.09 -0.10 -0.04 7.38 7.52 3gvhC1 PHE 60 HZ 0.20 -0.04 -0.08 -0.04 7.32 7.36 3gvhC1 THR 61 H 0.08 0.60 0.30 -0.55 8.28 8.71 3gvhC1 THR 61 HA 0.05 0.14 0.92 -0.75 4.39 4.75 3gvhC1 THR 61 HB 0.02 -0.01 0.15 -0.04 4.32 4.45 3gvhC1 THR 61 HG23 0.01 -0.00 -0.13 -0.04 1.22 1.06 3gvhC1 GLY 62 H 0.03 0.18 0.13 -0.55 8.43 8.22 3gvhC1 GLY 62 HA2 0.01 0.27 0.83 -0.51 4.01 4.62 3gvhC1 GLY 62 HA3 -0.01 -0.11 -0.13 -0.51 4.01 3.25 3gvhC1 ALA 63 H -0.04 0.69 0.32 -0.55 8.40 8.82 3gvhC1 ALA 63 HA -0.05 0.13 0.85 -0.75 4.34 4.53 3gvhC1 ALA 63 HB3 0.03 0.00 -0.07 -0.04 1.41 1.33 3gvhC1 ASN 64 H -0.09 0.16 0.16 -0.55 8.53 8.22 3gvhC1 ASN 64 HA -0.57 0.38 0.95 -0.75 4.76 4.77 3gvhC1 ASN 64 HB2 -0.11 -0.02 0.08 -0.04 2.88 2.80 3gvhC1 ASN 64 HB3 -0.18 0.07 0.20 -0.04 2.79 2.83 3gvhC1 ASN 64 HD21 -0.18 -0.01 -0.30 -0.04 7.03 6.50 3gvhC1 ASN 64 HD22 -0.34 0.58 -0.10 -0.04 7.74 7.84 3gvhC1 ASP 65 H 0.03 0.14 0.01 -0.55 8.40 8.04 3gvhC1 ASP 65 HA 0.14 0.22 0.87 -0.75 4.63 5.11 3gvhC1 ASP 65 HB2 0.02 0.09 -0.06 -0.04 2.71 2.72 3gvhC1 ASP 65 HB3 0.01 -0.02 0.10 -0.04 2.70 2.75 3gvhC1 TYR 66 H 0.19 0.25 0.08 -0.55 8.29 8.26 3gvhC1 TYR 66 HA -0.28 0.06 0.20 -0.75 4.56 3.79 3gvhC1 TYR 66 HB2 0.07 0.03 0.08 -0.04 3.06 3.20 3gvhC1 TYR 66 HB3 0.06 0.12 0.02 -0.04 2.98 3.14 3gvhC1 TYR 66 HD2 -0.21 0.02 -0.02 -0.04 7.15 6.90 3gvhC1 TYR 66 HE2 -0.25 -0.01 -0.09 -0.04 6.85 6.47 3gvhC1 ALA 67 H -0.17 0.02 -0.58 -0.55 8.40 7.12 3gvhC1 ALA 67 HA -1.69 0.16 0.31 -0.75 4.34 2.37 3gvhC1 ALA 67 HB3 -0.28 0.02 -0.00 -0.04 1.41 1.10 3gvhC1 ALA 68 H -0.10 0.34 -0.24 -0.55 8.40 7.85 3gvhC1 ALA 68 HA -0.06 0.11 0.43 -0.75 4.34 4.07 3gvhC1 ALA 68 HB3 0.02 -0.02 -0.01 -0.04 1.41 1.36 3gvhC1 ILE 69 H -0.09 0.36 -0.46 -0.55 8.25 7.51 3gvhC1 ILE 69 HA -0.00 0.12 0.32 -0.75 4.18 3.86 3gvhC1 ILE 69 HB 0.01 -0.03 0.03 -0.04 1.89 1.87 3gvhC1 ILE 69 HG12 0.04 0.39 0.02 -0.04 1.49 1.89 3gvhC1 ILE 69 HG13 0.06 0.03 -0.38 -0.04 1.21 0.88 3gvhC1 ILE 69 HG23 -0.02 -0.04 -0.16 -0.04 0.93 0.66 3gvhC1 ILE 69 HD13 0.04 -0.02 -0.20 -0.04 0.88 0.66 3gvhC1 GLU 70 H -0.07 0.28 -0.62 -0.55 8.60 7.64 3gvhC1 GLU 70 HA 0.09 0.20 0.20 -0.75 4.29 4.02 3gvhC1 GLU 70 HB2 -0.02 0.03 0.14 -0.04 2.09 2.20 3gvhC1 GLU 70 HB3 0.01 -0.04 0.06 -0.04 1.99 1.97 3gvhC1 GLU 70 HG2 0.07 0.02 -0.07 -0.04 2.34 2.32 3gvhC1 GLU 70 HG3 0.17 0.11 0.16 -0.04 2.34 2.74 3gvhC1 GLY 71 H 0.06 0.46 0.32 -0.55 8.43 8.73 3gvhC1 GLY 71 HA2 0.04 -0.01 0.36 -0.51 4.01 3.88 3gvhC1 GLY 71 HA3 0.03 0.06 0.58 -0.51 4.01 4.17 3gvhC1 ALA 72 H 0.03 0.39 -0.16 -0.55 8.40 8.11 3gvhC1 ALA 72 HA 0.03 -0.04 0.24 -0.75 4.34 3.82 3gvhC1 ALA 72 HB3 0.02 0.00 -0.01 -0.04 1.41 1.38 3gvhC1 ASP 73 H 0.05 0.33 0.40 -0.55 8.40 8.64 3gvhC1 ASP 73 HA 0.10 0.16 0.66 -0.75 4.63 4.79 3gvhC1 ASP 73 HB2 0.11 -0.01 0.18 -0.04 2.71 2.95 3gvhC1 ASP 73 HB3 0.21 0.01 0.11 -0.04 2.70 2.99 3gvhC1 VAL 74 H 0.05 0.38 0.25 -0.55 8.24 8.38 3gvhC1 VAL 74 HA -0.01 0.30 0.90 -0.75 4.13 4.56 3gvhC1 VAL 74 HB 0.07 -0.07 0.08 -0.04 2.12 2.16 3gvhC1 VAL 74 HG13 0.04 -0.02 -0.13 -0.04 0.97 0.81 3gvhC1 VAL 74 HG23 0.16 0.01 -0.11 -0.04 0.95 0.96 3gvhC1 VAL 75 H -0.08 0.77 0.31 -0.55 8.24 8.70 3gvhC1 VAL 75 HA -0.01 0.23 0.91 -0.75 4.13 4.51 3gvhC1 VAL 75 HB -0.07 0.01 0.07 -0.04 2.12 2.09 3gvhC1 VAL 75 HG13 -0.02 -0.04 -0.18 -0.04 0.97 0.68 3gvhC1 VAL 75 HG23 -0.01 0.01 -0.16 -0.04 0.95 0.75 3gvhC1 ILE 76 H 0.00 0.70 0.33 -0.55 8.25 8.74 3gvhC1 ILE 76 HA -0.05 0.32 1.13 -0.75 4.18 4.83 3gvhC1 ILE 76 HB 0.02 -0.07 0.09 -0.04 1.89 1.88 3gvhC1 ILE 76 HG12 -0.02 0.06 -0.20 -0.04 1.49 1.30 3gvhC1 ILE 76 HG13 0.01 0.01 -0.30 -0.04 1.21 0.89 3gvhC1 ILE 76 HG23 0.00 -0.02 -0.14 -0.04 0.93 0.74 3gvhC1 ILE 76 HD13 0.04 -0.01 -0.18 -0.04 0.88 0.68 3gvhC1 VAL 77 H -0.03 0.73 0.33 -0.55 8.24 8.72 3gvhC1 VAL 77 HA 0.02 0.12 0.88 -0.75 4.13 4.40 3gvhC1 VAL 77 HB -0.02 -0.08 0.23 -0.04 2.12 2.21 3gvhC1 VAL 77 HG13 0.02 -0.00 -0.04 -0.04 0.97 0.91 3gvhC1 VAL 77 HG23 -0.02 0.04 -0.13 -0.04 0.95 0.80 3gvhC1 THR 78 H 0.04 0.71 0.40 -0.55 8.28 8.88 3gvhC1 THR 78 HA 0.02 0.10 0.88 -0.75 4.39 4.64 3gvhC1 THR 78 HB 0.02 -0.09 0.06 -0.04 4.32 4.26 3gvhC1 THR 78 HG23 0.02 -0.00 -0.25 -0.04 1.22 0.95 3gvhC1 ALA 79 H 0.05 0.20 0.21 -0.55 8.40 8.32 3gvhC1 ALA 79 HA 0.04 -0.09 0.41 -0.75 4.34 3.95 3gvhC1 ALA 79 HB3 0.09 0.01 0.01 -0.04 1.41 1.48 3gvhC1 GLY 80 H 0.03 0.15 0.26 -0.55 8.43 8.32 3gvhC1 GLY 80 HA2 0.03 0.03 0.22 -0.51 4.01 3.78 3gvhC1 GLY 80 HA3 0.03 0.18 0.83 -0.51 4.01 4.54 3gvhC1 VAL 81 H 0.02 0.32 0.19 -0.55 8.24 8.22 3gvhC1 VAL 81 HA 0.01 0.17 0.86 -0.75 4.13 4.41 3gvhC1 VAL 81 HB 0.01 -0.03 0.00 -0.04 2.12 2.07 3gvhC1 VAL 81 HG13 0.01 0.00 -0.15 -0.04 0.97 0.79 3gvhC1 VAL 81 HG23 0.01 0.02 -0.08 -0.04 0.95 0.85 3gvhC1 PRO 82 HA 0.01 0.11 0.42 -0.51 4.44 4.47 3gvhC1 PRO 82 HB2 0.01 0.07 0.06 -0.04 2.28 2.38 3gvhC1 PRO 82 HB3 0.01 -0.01 0.05 -0.04 2.02 2.02 3gvhC1 PRO 82 HG2 0.00 0.08 0.07 -0.04 2.03 2.14 3gvhC1 PRO 82 HG3 -0.00 0.05 0.07 -0.04 2.03 2.11 3gvhC1 PRO 82 HD2 0.00 0.13 0.21 -0.04 3.68 3.98 3gvhC1 PRO 82 HD3 0.00 0.11 0.15 -0.04 3.65 3.87 3gvhC1 SER 88 HA 0.00 -0.03 0.28 -0.75 4.49 3.99 3gvhC1 SER 88 HB2 0.00 0.10 0.08 -0.04 3.95 4.10 3gvhC1 SER 88 HB3 0.01 0.03 0.12 -0.04 3.93 4.05 3gvhC1 ARG 89 H 0.00 0.17 0.15 -0.55 8.46 8.23 3gvhC1 ARG 89 HA 0.01 0.11 0.47 -0.75 4.34 4.17 3gvhC1 ARG 89 HB2 0.00 0.04 0.13 -0.04 1.90 2.03 3gvhC1 ARG 89 HB3 0.00 0.02 0.19 -0.04 1.80 1.97 3gvhC1 ARG 89 HG2 0.00 -0.02 -0.04 -0.04 1.67 1.58 3gvhC1 ARG 89 HG3 0.01 -0.01 -0.45 -0.04 1.67 1.17 3gvhC1 ARG 89 HD2 -0.00 -0.01 -0.01 -0.04 3.22 3.15 3gvhC1 ARG 89 HD3 -0.00 0.00 0.02 -0.04 3.22 3.20 3gvhC1 ASP 90 H 0.01 0.12 -0.07 -0.55 8.40 7.91 3gvhC1 ASP 90 HA 0.02 0.09 0.43 -0.75 4.63 4.42 3gvhC1 ASP 91 H 0.01 0.13 -0.57 -0.55 8.40 7.42 3gvhC1 ASP 91 HA 0.01 0.11 0.56 -0.75 4.63 4.56 3gvhC1 LEU 92 H 0.01 0.46 -0.08 -0.55 8.37 8.22 3gvhC1 LEU 92 HA 0.02 0.03 0.46 -0.75 4.35 4.10 3gvhC1 LEU 92 HB2 0.01 0.06 -0.07 -0.04 1.64 1.60 3gvhC1 LEU 92 HB3 0.02 0.11 0.18 -0.04 1.64 1.90 3gvhC1 LEU 92 HG 0.02 -0.03 -0.27 -0.04 1.64 1.33 3gvhC1 LEU 92 HD13 0.02 0.01 0.04 -0.04 0.93 0.96 3gvhC1 LEU 92 HD23 0.02 -0.02 -0.01 -0.04 0.89 0.84 3gvhC1 LEU 93 H 0.02 0.53 -0.01 -0.55 8.37 8.37 3gvhC1 LEU 93 HA 0.04 0.00 0.45 -0.75 4.35 4.09 3gvhC1 LEU 93 HB2 0.03 0.06 0.05 -0.04 1.64 1.74 3gvhC1 LEU 93 HB3 0.05 0.04 -0.05 -0.04 1.64 1.64 3gvhC1 LEU 93 HG 0.02 0.05 0.06 -0.04 1.64 1.72 3gvhC1 LEU 93 HD13 0.02 -0.01 -0.06 -0.04 0.93 0.84 3gvhC1 LEU 93 HD23 0.03 -0.01 0.03 -0.04 0.89 0.90 3gvhC1 GLY 94 H 0.03 0.22 -0.66 -0.55 8.43 7.46 3gvhC1 GLY 94 HA2 0.04 0.09 0.41 -0.51 4.01 4.04 3gvhC1 GLY 94 HA3 0.02 0.09 0.27 -0.51 4.01 3.89 3gvhC1 ILE 95 H 0.02 0.45 -0.09 -0.55 8.25 8.08 3gvhC1 ILE 95 HA 0.01 0.06 0.58 -0.75 4.18 4.08 3gvhC1 ILE 95 HB 0.02 0.07 0.24 -0.04 1.89 2.18 3gvhC1 ILE 95 HG12 0.01 -0.05 0.04 -0.04 1.49 1.45 3gvhC1 ILE 95 HG13 0.01 0.08 0.06 -0.04 1.21 1.32 3gvhC1 ILE 95 HG23 0.01 -0.03 -0.08 -0.04 0.93 0.79 3gvhC1 ILE 95 HD13 0.01 -0.02 -0.05 -0.04 0.88 0.78 3gvhC1 ASN 96 H 0.03 0.74 0.07 -0.55 8.53 8.82 3gvhC1 ASN 96 HA 0.03 -0.06 0.30 -0.75 4.76 4.27 3gvhC1 ASN 96 HB2 0.04 0.13 0.16 -0.04 2.88 3.17 3gvhC1 ASN 96 HB3 0.04 -0.00 0.04 -0.04 2.79 2.83 3gvhC1 ASN 96 HD21 0.02 0.11 0.20 -0.04 7.03 7.33 3gvhC1 ASN 96 HD22 0.03 0.26 0.14 -0.04 7.74 8.12 3gvhC1 LEU 97 H 0.06 0.56 -0.14 -0.55 8.37 8.30 3gvhC1 LEU 97 HA 0.13 -0.03 0.42 -0.75 4.35 4.12 3gvhC1 LEU 97 HB2 0.08 0.21 0.10 -0.04 1.64 2.00 3gvhC1 LEU 97 HB3 0.14 -0.01 -0.10 -0.04 1.64 1.63 3gvhC1 LEU 97 HG 0.13 -0.05 0.06 -0.04 1.64 1.74 3gvhC1 LEU 97 HD13 0.14 -0.00 -0.07 -0.04 0.93 0.96 3gvhC1 LEU 97 HD23 0.28 -0.02 -0.03 -0.04 0.89 1.07 3gvhC1 LYS 98 H 0.01 0.39 -0.50 -0.55 8.42 7.76 3gvhC1 LYS 98 HA -0.10 0.05 0.48 -0.75 4.32 4.00 3gvhC1 VAL 99 H 0.00 0.37 -0.15 -0.55 8.24 7.92 3gvhC1 VAL 99 HA 0.02 -0.03 0.38 -0.75 4.13 3.74 3gvhC1 VAL 99 HB 0.03 0.21 0.14 -0.04 2.12 2.45 3gvhC1 VAL 99 HG13 0.05 -0.04 -0.25 -0.04 0.97 0.70 3gvhC1 VAL 99 HG23 0.03 0.03 -0.02 -0.04 0.95 0.95 3gvhC1 MET 100 H 0.02 0.65 -0.03 -0.55 8.47 8.57 3gvhC1 MET 100 HA 0.02 -0.06 0.37 -0.75 4.52 4.10 3gvhC1 MET 100 HB2 0.18 0.14 0.02 -0.04 2.15 2.45 3gvhC1 MET 100 HB3 0.19 -0.02 -0.06 -0.04 2.03 2.10 3gvhC1 MET 100 HG2 0.07 0.10 -0.07 -0.04 2.63 2.70 3gvhC1 MET 100 HG3 0.09 0.05 -0.01 -0.04 2.56 2.65 3gvhC1 MET 100 HE3 0.03 0.02 -0.16 -0.04 2.10 1.95 3gvhC1 GLU 101 H -0.22 0.44 -0.49 -0.55 8.60 7.77 3gvhC1 GLU 101 HA -0.72 0.07 0.53 -0.75 4.29 3.41 3gvhC1 GLU 101 HB2 -0.37 0.17 0.23 -0.04 2.09 2.08 3gvhC1 GLU 101 HB3 -0.39 -0.05 -0.04 -0.04 1.99 1.47 3gvhC1 GLU 101 HG2 -1.39 -0.01 0.02 -0.04 2.34 0.92 3gvhC1 GLU 101 HG3 -2.11 0.03 0.00 -0.04 2.34 0.23 3gvhC1 GLN 102 H -0.13 0.53 0.02 -0.55 8.47 8.35 3gvhC1 GLN 102 HA -0.12 0.05 0.49 -0.75 4.36 4.02 3gvhC1 GLN 102 HB2 0.03 0.06 0.17 -0.04 2.15 2.37 3gvhC1 GLN 102 HB3 0.10 -0.08 0.01 -0.04 2.02 2.00 3gvhC1 GLN 102 HG2 -0.01 -0.02 0.04 -0.04 2.40 2.36 3gvhC1 GLN 102 HG3 -0.06 0.16 0.09 -0.04 2.39 2.55 3gvhC1 GLN 102 HE21 0.02 -0.05 -0.03 -0.04 6.97 6.86 3gvhC1 GLN 102 HE22 -0.02 0.05 -0.02 -0.04 7.69 7.66 3gvhC1 VAL 103 H -0.04 0.76 -0.02 -0.55 8.24 8.40 3gvhC1 VAL 103 HA -0.21 -0.04 0.43 -0.75 4.13 3.56 3gvhC1 VAL 103 HB -0.01 0.07 0.08 -0.04 2.12 2.22 3gvhC1 VAL 103 HG13 -0.02 -0.01 -0.15 -0.04 0.97 0.75 3gvhC1 VAL 103 HG23 0.12 -0.01 -0.02 -0.04 0.95 1.00 3gvhC1 GLY 104 H -0.09 0.61 -0.27 -0.55 8.43 8.13 3gvhC1 GLY 104 HA2 -0.07 -0.02 0.35 -0.51 4.01 3.76 3gvhC1 GLY 104 HA3 -0.02 0.14 0.22 -0.51 4.01 3.84 3gvhC1 ALA 105 H -0.18 0.45 -0.28 -0.55 8.40 7.85 3gvhC1 ALA 105 HA -0.13 0.12 0.39 -0.75 4.34 3.97 3gvhC1 ALA 105 HB3 -0.16 0.02 0.09 -0.04 1.41 1.32 3gvhC1 GLY 106 H -0.50 0.46 -0.14 -0.55 8.43 7.69 3gvhC1 GLY 106 HA2 -0.25 -0.01 0.42 -0.51 4.01 3.66 3gvhC1 GLY 106 HA3 -0.96 -0.03 0.28 -0.51 4.01 2.80 3gvhC1 ILE 107 H -0.23 0.55 -0.13 -0.55 8.25 7.89 3gvhC1 ILE 107 HA -0.04 -0.02 0.39 -0.75 4.18 3.75 3gvhC1 ILE 107 HB -0.09 0.11 0.05 -0.04 1.89 1.92 3gvhC1 ILE 107 HG12 -0.06 -0.06 -0.06 -0.04 1.49 1.27 3gvhC1 ILE 107 HG13 -0.12 0.12 0.02 -0.04 1.21 1.19 3gvhC1 ILE 107 HG23 -0.06 0.01 -0.21 -0.04 0.93 0.64 3gvhC1 ILE 107 HD13 -0.07 -0.03 -0.13 -0.04 0.88 0.61 3gvhC1 LYS 108 H -0.12 0.51 -0.17 -0.55 8.42 8.09 3gvhC1 LYS 108 HA -0.07 0.06 0.38 -0.75 4.32 3.94 3gvhC1 LYS 108 HB2 -0.08 0.16 0.24 -0.04 1.87 2.15 3gvhC1 LYS 108 HB3 -0.11 -0.00 0.17 -0.04 1.79 1.80 3gvhC1 LYS 108 HG2 -0.08 -0.11 -0.17 -0.04 1.46 1.06 3gvhC1 LYS 108 HG3 -0.06 0.05 0.07 -0.04 1.46 1.48 3gvhC1 LYS 108 HD2 -0.05 0.21 -0.01 -0.04 1.69 1.79 3gvhC1 LYS 108 HD3 -0.07 -0.11 -0.00 -0.04 1.68 1.46 3gvhC1 LYS 108 HE2 -0.05 -0.10 -0.02 -0.04 2.99 2.77 3gvhC1 LYS 108 HE3 -0.04 0.03 -0.00 -0.04 2.99 2.93 3gvhC1 LYS 109 H -0.18 0.37 -0.25 -0.55 8.42 7.80 3gvhC1 LYS 109 HA -0.22 0.06 0.42 -0.75 4.32 3.84 3gvhC1 LYS 109 HB2 -0.31 0.06 0.10 -0.04 1.87 1.69 3gvhC1 LYS 109 HB3 -0.62 -0.04 0.10 -0.04 1.79 1.19 3gvhC1 LYS 109 HG2 -1.04 -0.01 -0.17 -0.04 1.46 0.20 3gvhC1 LYS 109 HG3 -0.37 -0.00 0.03 -0.04 1.46 1.08 3gvhC1 LYS 109 HD2 -0.28 0.01 -0.02 -0.04 1.69 1.35 3gvhC1 LYS 109 HD3 -0.69 -0.07 -0.06 -0.04 1.68 0.82 3gvhC1 LYS 109 HE2 -0.32 0.00 -0.04 -0.04 2.99 2.58 3gvhC1 LYS 109 HE3 -0.18 0.01 -0.02 -0.04 2.99 2.77 3gvhC1 TYR 110 H -0.03 0.54 -0.09 -0.55 8.29 8.16 3gvhC1 TYR 110 HA -0.01 0.16 0.80 -0.75 4.56 4.76 3gvhC1 TYR 110 HB2 -0.03 0.16 0.03 -0.04 3.06 3.18 3gvhC1 TYR 110 HB3 0.00 -0.11 -0.06 -0.04 2.98 2.78 3gvhC1 TYR 110 HD2 -0.01 0.06 -0.05 -0.04 7.15 7.11 3gvhC1 TYR 110 HE2 0.03 -0.04 -0.08 -0.04 6.85 6.72 3gvhC1 ALA 111 H 0.02 0.65 -0.00 -0.55 8.40 8.53 3gvhC1 ALA 111 HA 0.04 0.06 0.90 -0.75 4.34 4.58 3gvhC1 ALA 111 HB3 0.02 0.01 0.03 -0.04 1.41 1.43 3gvhC1 PRO 112 HA -0.03 0.09 0.11 -0.51 4.44 4.11 3gvhC1 PRO 112 HB2 -0.01 -0.03 -0.01 -0.04 2.28 2.18 3gvhC1 PRO 112 HB3 -0.03 0.18 0.12 -0.04 2.02 2.24 3gvhC1 PRO 112 HG2 0.00 -0.05 -0.03 -0.04 2.03 1.92 3gvhC1 PRO 112 HG3 -0.02 0.07 -0.01 -0.04 2.03 2.04 3gvhC1 PRO 112 HD2 0.02 0.07 -0.20 -0.04 3.68 3.52 3gvhC1 PRO 112 HD3 -0.01 0.17 -0.39 -0.04 3.65 3.38 3gvhC1 GLU 113 H 0.02 0.04 -0.45 -0.55 8.60 7.66 3gvhC1 GLU 113 HA 0.02 0.17 0.83 -0.75 4.29 4.55 3gvhC1 GLU 113 HB2 0.04 0.02 -0.04 -0.04 2.09 2.07 3gvhC1 GLU 113 HB3 0.06 -0.00 0.12 -0.04 1.99 2.13 3gvhC1 GLU 113 HG2 0.02 -0.04 -0.07 -0.04 2.34 2.22 3gvhC1 GLU 113 HG3 0.03 -0.03 -0.01 -0.04 2.34 2.29 3gvhC1 ALA 114 H 0.00 0.49 -0.17 -0.55 8.40 8.18 3gvhC1 ALA 114 HA 0.03 0.14 0.32 -0.75 4.34 4.07 3gvhC1 ALA 114 HB3 -0.02 -0.04 -0.17 -0.04 1.41 1.15 3gvhC1 PHE 115 H -0.07 0.56 0.28 -0.55 8.34 8.56 3gvhC1 PHE 115 HA -0.26 0.23 0.81 -0.75 4.62 4.65 3gvhC1 PHE 115 HB2 -1.41 0.09 0.17 -0.04 3.15 1.96 3gvhC1 PHE 115 HB3 -0.86 -0.06 0.28 -0.04 3.06 2.38 3gvhC1 PHE 115 HD2 -0.26 0.02 0.02 -0.04 7.28 7.02 3gvhC1 PHE 115 HE2 0.00 -0.03 -0.19 -0.04 7.38 7.12 3gvhC1 PHE 115 HZ 0.03 -0.09 -0.18 -0.04 7.32 7.04 3gvhC1 VAL 116 H -0.41 0.89 0.29 -0.55 8.24 8.47 3gvhC1 VAL 116 HA -0.22 0.19 0.92 -0.75 4.13 4.26 3gvhC1 VAL 116 HB -0.19 -0.01 0.18 -0.04 2.12 2.06 3gvhC1 VAL 116 HG13 -0.12 -0.05 -0.17 -0.04 0.97 0.59 3gvhC1 VAL 116 HG23 -0.10 0.05 -0.20 -0.04 0.95 0.65 3gvhC1 ILE 117 H -0.20 0.76 0.40 -0.55 8.25 8.66 3gvhC1 ILE 117 HA -0.25 0.24 0.92 -0.75 4.18 4.34 3gvhC1 ILE 117 HB -0.10 -0.03 0.15 -0.04 1.89 1.86 3gvhC1 ILE 117 HG12 -0.18 -0.03 -0.17 -0.04 1.49 1.07 3gvhC1 ILE 117 HG13 -0.54 0.07 -0.44 -0.04 1.21 0.26 3gvhC1 ILE 117 HG23 -0.04 -0.05 -0.24 -0.04 0.93 0.56 3gvhC1 ILE 117 HD13 0.07 0.01 -0.15 -0.04 0.88 0.77 3gvhC1 CYS 118 H -0.10 0.83 0.41 -0.55 8.50 9.08 3gvhC1 CYS 118 HA -0.05 0.04 0.80 -0.75 4.58 4.62 3gvhC1 CYS 118 HB2 -0.10 0.09 0.01 -0.04 2.97 2.93 3gvhC1 CYS 118 HB3 -0.07 -0.06 0.11 -0.04 2.97 2.91 3gvhC1 ILE 119 H -0.00 0.59 0.43 -0.55 8.25 8.71 3gvhC1 ILE 119 HA 0.02 0.16 0.97 -0.75 4.18 4.58 3gvhC1 ILE 119 HB 0.02 0.11 0.10 -0.04 1.89 2.08 3gvhC1 ILE 119 HG12 0.02 -0.02 -0.09 -0.04 1.49 1.37 3gvhC1 ILE 119 HG13 0.00 0.04 -0.39 -0.04 1.21 0.82 3gvhC1 ILE 119 HG23 0.04 -0.03 -0.03 -0.04 0.93 0.87 3gvhC1 ILE 119 HD13 0.03 -0.02 -0.18 -0.04 0.88 0.67 3gvhC1 THR 120 H 0.01 0.09 0.14 -0.55 8.28 7.97 3gvhC1 THR 120 HA 0.03 -0.01 0.38 -0.75 4.39 4.03 3gvhC1 THR 120 HB 0.02 -0.07 -0.03 -0.04 4.32 4.20 3gvhC1 THR 120 HG23 0.03 0.03 -0.07 -0.04 1.22 1.17 3gvhC1 ASN 121 H 0.03 0.09 0.17 -0.55 8.53 8.28 3gvhC1 ASN 121 HA 0.04 -0.07 0.59 -0.75 4.76 4.57 3gvhC1 ASN 121 HB2 0.03 0.05 0.14 -0.04 2.88 3.07 3gvhC1 ASN 121 HB3 0.04 0.03 0.07 -0.04 2.79 2.89 3gvhC1 ASN 121 HD21 0.17 0.01 0.07 -0.04 7.03 7.24 3gvhC1 ASN 121 HD22 0.08 -0.30 0.19 -0.04 7.74 7.66 3gvhC1 PRO 122 HA 0.04 -0.01 0.45 -0.51 4.44 4.41 3gvhC1 PRO 122 HB2 0.01 -0.05 0.01 -0.04 2.28 2.20 3gvhC1 PRO 122 HB3 0.02 0.07 0.11 -0.04 2.02 2.18 3gvhC1 PRO 122 HG2 0.02 0.01 0.13 -0.04 2.03 2.14 3gvhC1 PRO 122 HG3 0.02 0.08 0.09 -0.04 2.03 2.17 3gvhC1 PRO 122 HD2 0.04 0.13 0.36 -0.04 3.68 4.17 3gvhC1 PRO 122 HD3 0.03 0.14 0.04 -0.04 3.65 3.81 3gvhC1 LEU 123 H 0.03 0.11 0.14 -0.55 8.37 8.11 3gvhC1 LEU 123 HA 0.01 0.34 -0.03 -0.75 4.35 3.93 3gvhC1 LEU 123 HB2 0.04 0.08 0.01 -0.04 1.64 1.73 3gvhC1 LEU 123 HB3 -0.03 -0.13 0.11 -0.04 1.64 1.55 3gvhC1 LEU 123 HG -0.00 0.23 -0.12 -0.04 1.64 1.71 3gvhC1 LEU 123 HD13 -0.03 -0.05 -0.40 -0.04 0.93 0.41 3gvhC1 LEU 123 HD23 -0.00 -0.00 -0.19 -0.04 0.89 0.65 3gvhC1 ASP 124 H -0.02 0.05 0.02 -0.55 8.40 7.90 3gvhC1 ASP 124 HA 0.02 0.06 0.21 -0.75 4.63 4.17 3gvhC1 ASP 124 HB2 -0.05 0.00 0.04 -0.04 2.71 2.66 3gvhC1 ASP 124 HB3 -0.00 0.27 0.03 -0.04 2.70 2.96 3gvhC1 ALA 125 H -0.01 0.06 -0.25 -0.55 8.40 7.65 3gvhC1 ALA 125 HA -0.00 0.13 0.68 -0.75 4.34 4.39 3gvhC1 ALA 125 HB3 0.00 0.02 -0.01 -0.04 1.41 1.39 3gvhC1 MET 126 H 0.04 0.60 -0.04 -0.55 8.47 8.52 3gvhC1 MET 126 HA 0.10 0.05 0.23 -0.75 4.52 4.13 3gvhC1 MET 126 HB2 0.02 0.12 -0.14 -0.04 2.15 2.11 3gvhC1 MET 126 HB3 0.03 -0.07 -0.15 -0.04 2.03 1.80 3gvhC1 MET 126 HG2 0.04 0.05 -0.38 -0.04 2.63 2.30 3gvhC1 MET 126 HG3 0.04 0.07 -0.51 -0.04 2.56 2.12 3gvhC1 MET 126 HE3 0.10 0.02 -0.18 -0.04 2.10 2.00 3gvhC1 VAL 127 H -0.03 0.62 -0.18 -0.55 8.24 8.10 3gvhC1 VAL 127 HA -0.15 0.03 0.33 -0.75 4.13 3.59 3gvhC1 VAL 127 HB -0.12 -0.05 -0.07 -0.04 2.12 1.84 3gvhC1 VAL 127 HG13 -0.17 0.06 -0.10 -0.04 0.97 0.72 3gvhC1 VAL 127 HG23 -0.41 -0.01 -0.42 -0.04 0.95 0.07 3gvhC1 TRP 128 H -0.02 0.28 -0.24 -0.55 7.97 7.45 3gvhC1 TRP 128 HA -0.38 0.01 0.38 -0.75 4.62 3.88 3gvhC1 TRP 128 HB2 0.03 -0.07 0.19 -0.04 3.23 3.34 3gvhC1 TRP 128 HB3 -0.08 0.18 0.20 -0.04 3.23 3.48 3gvhC1 TRP 128 HD1 0.23 -0.16 -0.04 -0.04 7.22 7.21 3gvhC1 TRP 128 HE1 0.03 0.24 0.05 -0.04 10.20 10.48 3gvhC1 TRP 128 HE3 -0.08 0.12 0.00 -0.04 7.59 7.59 3gvhC1 TRP 128 HZ2 -0.03 0.07 0.01 -0.04 7.44 7.45 3gvhC1 TRP 128 HZ3 -0.06 -0.03 -0.01 -0.04 7.13 6.99 3gvhC1 TRP 128 HH2 -0.05 0.06 -0.00 -0.04 7.19 7.15 3gvhC1 ALA 129 H 0.12 0.40 -0.39 -0.55 8.40 7.98 3gvhC1 ALA 129 HA -0.74 0.06 0.31 -0.75 4.34 3.22 3gvhC1 ALA 129 HB3 0.08 0.02 0.04 -0.04 1.41 1.51 3gvhC1 LEU 130 H -0.09 0.64 -0.05 -0.55 8.37 8.32 3gvhC1 LEU 130 HA 0.06 0.01 0.40 -0.75 4.35 4.07 3gvhC1 LEU 130 HB2 -0.03 -0.02 0.09 -0.04 1.64 1.64 3gvhC1 LEU 130 HB3 -0.13 0.11 0.11 -0.04 1.64 1.70 3gvhC1 LEU 130 HG -0.08 0.05 -0.26 -0.04 1.64 1.31 3gvhC1 LEU 130 HD13 -0.01 -0.02 -0.01 -0.04 0.93 0.85 3gvhC1 LEU 130 HD23 -0.07 -0.02 -0.11 -0.04 0.89 0.64 3gvhC1 GLN 131 H -0.26 0.57 -0.23 -0.55 8.47 8.00 3gvhC1 GLN 131 HA -0.12 0.03 0.48 -0.75 4.36 4.00 3gvhC1 GLN 131 HB2 -0.04 0.09 -0.00 -0.04 2.15 2.15 3gvhC1 GLN 131 HB3 -0.13 -0.02 0.01 -0.04 2.02 1.84 3gvhC1 GLN 131 HG2 0.24 -0.08 -0.03 -0.04 2.40 2.48 3gvhC1 GLN 131 HG3 -0.08 0.09 -0.02 -0.04 2.39 2.34 3gvhC1 GLN 131 HE21 -0.03 -0.06 -0.11 -0.04 6.97 6.72 3gvhC1 GLN 131 HE22 -0.01 0.32 -0.11 -0.04 7.69 7.85 3gvhC1 LYS 132 H -0.44 0.29 -0.37 -0.55 8.42 7.36 3gvhC1 LYS 132 HA -0.27 0.06 0.47 -0.75 4.32 3.84 3gvhC1 LYS 132 HB2 -0.84 0.05 0.17 -0.04 1.87 1.20 3gvhC1 LYS 132 HB3 -0.52 -0.01 -0.00 -0.04 1.79 1.22 3gvhC1 LYS 132 HG2 -0.38 -0.03 0.01 -0.04 1.46 1.02 3gvhC1 LYS 132 HG3 -0.70 0.07 0.02 -0.04 1.46 0.81 3gvhC1 LYS 132 HD2 -1.49 -0.04 -0.02 -0.04 1.69 0.10 3gvhC1 LYS 132 HD3 -0.56 0.03 0.02 -0.04 1.68 1.13 3gvhC1 LYS 132 HE2 -0.75 -0.05 -0.01 -0.04 2.99 2.14 3gvhC1 LYS 132 HE3 -0.21 0.08 0.01 -0.04 2.99 2.84 3gvhC1 PHE 133 H -0.35 0.61 -0.00 -0.55 8.34 8.04 3gvhC1 PHE 133 HA -0.11 0.03 0.27 -0.75 4.62 4.05 3gvhC1 PHE 133 HB2 -0.11 0.03 0.11 -0.04 3.15 3.13 3gvhC1 PHE 133 HB3 -0.10 -0.04 0.02 -0.04 3.06 2.90 3gvhC1 PHE 133 HD2 -0.09 -0.02 -0.23 -0.04 7.28 6.90 3gvhC1 PHE 133 HE2 -0.05 -0.06 -0.10 -0.04 7.38 7.13 3gvhC1 PHE 133 HZ -0.03 -0.01 -0.07 -0.04 7.32 7.17 3gvhC1 SER 134 H -0.01 0.51 -0.10 -0.55 8.46 8.32 3gvhC1 SER 134 HA -0.04 0.17 0.43 -0.75 4.49 4.29 3gvhC1 SER 134 HB2 -0.06 -0.03 0.08 -0.04 3.95 3.89 3gvhC1 SER 134 HB3 -0.05 -0.06 0.15 -0.04 3.93 3.93 3gvhC1 GLY 135 H -0.08 0.30 -0.50 -0.55 8.43 7.61 3gvhC1 GLY 135 HA2 -0.07 0.04 0.29 -0.51 4.01 3.76 3gvhC1 GLY 135 HA3 -0.05 -0.00 0.46 -0.51 4.01 3.91 3gvhC1 LEU 136 H -0.06 -0.05 -0.34 -0.55 8.37 7.38 3gvhC1 LEU 136 HA -0.04 0.16 0.46 -0.75 4.35 4.18 3gvhC1 LEU 136 HB2 -0.06 -0.15 -0.05 -0.04 1.64 1.33 3gvhC1 LEU 136 HB3 -0.06 0.09 -0.13 -0.04 1.64 1.50 3gvhC1 LEU 136 HG -0.04 0.27 0.05 -0.04 1.64 1.87 3gvhC1 LEU 136 HD13 -0.05 -0.03 -0.23 -0.04 0.93 0.58 3gvhC1 LEU 136 HD23 -0.06 0.01 -0.13 -0.04 0.89 0.66 3gvhC1 PRO 137 HA 0.00 0.02 0.47 -0.51 4.44 4.42 3gvhC1 PRO 137 HB2 -0.38 -0.06 0.02 -0.04 2.28 1.83 3gvhC1 PRO 137 HB3 0.05 -0.01 0.12 -0.04 2.02 2.14 3gvhC1 PRO 137 HG2 -0.05 0.08 0.09 -0.04 2.03 2.11 3gvhC1 PRO 137 HG3 0.01 0.03 0.11 -0.04 2.03 2.14 3gvhC1 PRO 137 HD2 -0.07 0.18 0.19 -0.04 3.68 3.94 3gvhC1 PRO 137 HD3 -0.03 0.21 0.24 -0.04 3.65 4.03 3gvhC1 ALA 138 H 0.05 0.12 0.19 -0.55 8.40 8.22 3gvhC1 ALA 138 HA 0.11 0.13 0.36 -0.75 4.34 4.19 3gvhC1 ALA 138 HB3 0.07 -0.01 0.12 -0.04 1.41 1.55 3gvhC1 HIS 139 H 0.18 0.08 -0.15 -0.55 8.41 7.97 3gvhC1 HIS 139 HA 0.09 0.02 0.47 -0.75 4.63 4.47 3gvhC1 HIS 139 HB2 0.08 0.16 0.23 -0.04 3.26 3.69 3gvhC1 HIS 139 HB3 0.05 -0.07 0.13 -0.04 3.20 3.27 3gvhC1 HIS 139 HD2 0.04 -0.12 0.01 -0.04 6.97 6.86 3gvhC1 HIS 139 HE1 0.06 0.01 -0.01 -0.04 7.75 7.77 3gvhC1 LYS 140 H -0.16 0.48 -0.62 -0.55 8.42 7.57 3gvhC1 LYS 140 HA 0.26 0.09 0.92 -0.75 4.32 4.83 3gvhC1 LYS 140 HB2 -0.14 0.12 0.02 -0.04 1.87 1.83 3gvhC1 LYS 140 HB3 -0.01 0.17 0.22 -0.04 1.79 2.14 3gvhC1 LYS 140 HG2 -0.76 -0.16 -0.27 -0.04 1.46 0.22 3gvhC1 LYS 140 HG3 -0.19 0.02 -0.03 -0.04 1.46 1.22 3gvhC1 LYS 140 HD2 0.17 -0.08 -0.11 -0.04 1.69 1.63 3gvhC1 LYS 140 HD3 0.14 -0.01 -0.14 -0.04 1.68 1.62 3gvhC1 LYS 140 HE2 0.07 0.18 -0.30 -0.04 2.99 2.90 3gvhC1 LYS 140 HE3 0.23 -0.06 -0.10 -0.04 2.99 3.02 3gvhC1 VAL 141 H 0.05 0.55 -0.03 -0.55 8.24 8.26 3gvhC1 VAL 141 HA -0.19 0.19 1.01 -0.75 4.13 4.38 3gvhC1 VAL 141 HB 0.04 -0.02 0.09 -0.04 2.12 2.19 3gvhC1 VAL 141 HG13 -0.15 -0.05 -0.16 -0.04 0.97 0.56 3gvhC1 VAL 141 HG23 -0.08 0.03 -0.23 -0.04 0.95 0.63 3gvhC1 VAL 142 H -0.23 0.69 0.33 -0.55 8.24 8.48 3gvhC1 VAL 142 HA 0.20 0.26 0.89 -0.75 4.13 4.73 3gvhC1 VAL 142 HB 0.09 -0.04 0.09 -0.04 2.12 2.22 3gvhC1 VAL 142 HG13 0.18 0.00 -0.26 -0.04 0.97 0.85 3gvhC1 VAL 142 HG23 -0.16 -0.01 -0.18 -0.04 0.95 0.56 3gvhC1 GLY 143 H 0.09 0.49 0.32 -0.55 8.43 8.78 3gvhC1 GLY 143 HA2 -0.03 0.26 1.03 -0.51 4.01 4.75 3gvhC1 GLY 143 HA3 0.00 -0.05 0.28 -0.51 4.01 3.73 3gvhC1 MET 144 H -0.00 0.69 0.26 -0.55 8.47 8.87 3gvhC1 MET 144 HA 0.03 0.06 0.77 -0.75 4.52 4.62 3gvhC1 MET 144 HB2 0.02 0.06 -0.01 -0.04 2.15 2.18 3gvhC1 MET 144 HB3 0.03 0.06 0.14 -0.04 2.03 2.22 3gvhC1 MET 144 HG2 0.05 0.01 -0.17 -0.04 2.63 2.48 3gvhC1 MET 144 HG3 0.04 0.04 -0.13 -0.04 2.56 2.48 3gvhC1 MET 144 HE3 0.07 0.04 -0.02 -0.04 2.10 2.15 3gvhC1 ALA 145 H 0.01 0.10 0.18 -0.55 8.40 8.14 3gvhC1 ALA 145 HA 0.08 0.12 0.46 -0.75 4.34 4.25 3gvhC1 ALA 145 HB3 -0.36 0.03 -0.06 -0.04 1.41 0.97 3gvhC1 GLY 146 H -0.02 0.20 0.08 -0.55 8.43 8.14 3gvhC1 GLY 146 HA2 0.02 0.07 0.23 -0.51 4.01 3.82 3gvhC1 GLY 146 HA3 -0.00 0.21 0.17 -0.51 4.01 3.88 3gvhC1 VAL 147 H 0.04 0.12 -0.09 -0.55 8.24 7.76 3gvhC1 VAL 147 HA 0.04 0.14 0.43 -0.75 4.13 3.98 3gvhC1 VAL 147 HB 0.05 -0.09 -0.00 -0.04 2.12 2.03 3gvhC1 VAL 147 HG13 0.04 0.03 -0.07 -0.04 0.97 0.93 3gvhC1 VAL 147 HG23 0.04 0.08 0.03 -0.04 0.95 1.05 3gvhC1 LEU 148 H 0.09 0.14 -0.39 -0.55 8.37 7.67 3gvhC1 LEU 148 HA 0.05 0.09 0.32 -0.75 4.35 4.05 3gvhC1 LEU 148 HB2 0.07 0.01 -0.05 -0.04 1.64 1.62 3gvhC1 LEU 148 HB3 0.16 0.12 0.06 -0.04 1.64 1.94 3gvhC1 LEU 148 HG 0.02 0.02 -0.27 -0.04 1.64 1.37 3gvhC1 LEU 148 HD13 0.01 -0.02 -0.21 -0.04 0.93 0.66 3gvhC1 LEU 148 HD23 -0.02 -0.00 -0.06 -0.04 0.89 0.77 3gvhC1 ASP 149 H 0.15 0.42 -0.12 -0.55 8.40 8.31 3gvhC1 ASP 149 HA 0.10 0.01 0.32 -0.75 4.63 4.31 3gvhC1 ASP 149 HB2 0.13 0.09 0.04 -0.04 2.71 2.93 3gvhC1 ASP 149 HB3 0.14 0.00 -0.08 -0.04 2.70 2.72 3gvhC1 SER 150 H 0.09 0.67 -0.19 -0.55 8.46 8.49 3gvhC1 SER 150 HA 0.17 -0.04 0.33 -0.75 4.49 4.19 3gvhC1 SER 150 HB2 0.06 -0.03 0.03 -0.04 3.95 3.97 3gvhC1 SER 150 HB3 0.05 0.08 0.16 -0.04 3.93 4.17 3gvhC1 ALA 151 H 0.05 0.56 -0.23 -0.55 8.40 8.23 3gvhC1 ALA 151 HA 0.02 0.05 0.42 -0.75 4.34 4.08 3gvhC1 ALA 151 HB3 0.00 0.02 0.08 -0.04 1.41 1.47 3gvhC1 ARG 152 H -0.01 0.57 -0.06 -0.55 8.46 8.41 3gvhC1 ARG 152 HA -0.30 0.00 0.42 -0.75 4.34 3.71 3gvhC1 ARG 152 HB2 -0.03 0.09 0.16 -0.04 1.90 2.08 3gvhC1 ARG 152 HB3 -0.36 -0.03 0.04 -0.04 1.80 1.41 3gvhC1 ARG 152 HG2 -0.09 -0.06 0.02 -0.04 1.67 1.50 3gvhC1 ARG 152 HG3 -0.02 0.18 0.02 -0.04 1.67 1.81 3gvhC1 ARG 152 HD2 0.05 0.00 0.01 -0.04 3.22 3.24 3gvhC1 ARG 152 HD3 0.09 0.03 0.02 -0.04 3.22 3.32 3gvhC1 PHE 153 H 0.14 0.67 -0.13 -0.55 8.34 8.47 3gvhC1 PHE 153 HA 0.12 -0.03 0.26 -0.75 4.62 4.22 3gvhC1 PHE 153 HB2 0.07 0.09 0.07 -0.04 3.15 3.34 3gvhC1 PHE 153 HB3 0.05 0.11 0.07 -0.04 3.06 3.25 3gvhC1 PHE 153 HD2 0.12 -0.02 -0.06 -0.04 7.28 7.27 3gvhC1 PHE 153 HE2 0.11 -0.04 -0.09 -0.04 7.38 7.31 3gvhC1 PHE 153 HZ 0.09 -0.04 -0.07 -0.04 7.32 7.25 3gvhC1 ARG 154 H 0.07 0.65 -0.15 -0.55 8.46 8.48 3gvhC1 ARG 154 HA -0.03 -0.01 0.40 -0.75 4.34 3.95 3gvhC1 ARG 154 HB2 0.03 0.09 0.12 -0.04 1.90 2.10 3gvhC1 ARG 154 HB3 0.02 0.03 0.00 -0.04 1.80 1.81 3gvhC1 ARG 154 HG2 -0.05 -0.06 -0.29 -0.04 1.67 1.23 3gvhC1 ARG 154 HG3 -0.04 0.01 -0.01 -0.04 1.67 1.59 3gvhC1 ARG 154 HD2 -0.00 -0.13 -0.01 -0.04 3.22 3.03 3gvhC1 ARG 154 HD3 0.02 -0.04 -0.13 -0.04 3.22 3.02 3gvhC1 TYR 155 H 0.03 0.62 -0.15 -0.55 8.29 8.23 3gvhC1 TYR 155 HA -0.02 0.01 0.49 -0.75 4.56 4.28 3gvhC1 TYR 155 HB2 -0.10 0.00 0.10 -0.04 3.06 3.02 3gvhC1 TYR 155 HB3 -0.33 0.10 0.20 -0.04 2.98 2.90 3gvhC1 TYR 155 HD2 -0.08 0.01 -0.01 -0.04 7.15 7.02 3gvhC1 TYR 155 HE2 0.09 0.00 -0.04 -0.04 6.85 6.86 3gvhC1 PHE 156 H -0.19 0.59 -0.06 -0.55 8.34 8.12 3gvhC1 PHE 156 HA -0.20 0.00 0.29 -0.75 4.62 3.96 3gvhC1 PHE 156 HB2 0.13 0.09 0.12 -0.04 3.15 3.46 3gvhC1 PHE 156 HB3 0.01 -0.06 0.03 -0.04 3.06 3.00 3gvhC1 PHE 156 HD2 0.06 -0.01 -0.08 -0.04 7.28 7.22 3gvhC1 PHE 156 HE2 0.12 -0.02 -0.20 -0.04 7.38 7.23 3gvhC1 PHE 156 HZ 0.07 -0.03 -0.06 -0.04 7.32 7.25 3gvhC1 LEU 157 H 0.17 0.59 -0.12 -0.55 8.37 8.47 3gvhC1 LEU 157 HA -0.07 -0.01 0.45 -0.75 4.35 3.97 3gvhC1 LEU 157 HB2 0.09 0.14 0.11 -0.04 1.64 1.95 3gvhC1 LEU 157 HB3 0.26 -0.02 -0.08 -0.04 1.64 1.76 3gvhC1 LEU 157 HG 0.28 0.09 0.02 -0.04 1.64 1.99 3gvhC1 LEU 157 HD13 -0.20 -0.02 -0.14 -0.04 0.93 0.54 3gvhC1 LEU 157 HD23 0.29 -0.03 -0.05 -0.04 0.89 1.06 3gvhC1 SER 158 H 0.01 0.59 -0.23 -0.55 8.46 8.28 3gvhC1 SER 158 HA 0.12 0.00 0.33 -0.75 4.49 4.19 3gvhC1 SER 158 HB2 0.04 0.19 -0.04 -0.04 3.95 4.11 3gvhC1 SER 158 HB3 0.04 0.07 0.07 -0.04 3.93 4.07 3gvhC1 GLU 159 H -0.19 0.45 -0.26 -0.55 8.60 8.05 3gvhC1 GLU 159 HA -0.09 0.00 0.50 -0.75 4.29 3.95 3gvhC1 GLU 159 HB2 -0.15 0.16 0.18 -0.04 2.09 2.23 3gvhC1 GLU 159 HB3 -0.10 -0.05 -0.03 -0.04 1.99 1.77 3gvhC1 GLU 159 HG2 -0.24 0.00 0.01 -0.04 2.34 2.07 3gvhC1 GLU 159 HG3 -0.84 0.19 0.01 -0.04 2.34 1.65 3gvhC1 GLU 160 H -0.16 0.56 -0.01 -0.55 8.60 8.44 3gvhC1 GLU 160 HA -0.17 -0.01 0.38 -0.75 4.29 3.74 3gvhC1 GLU 160 HB2 -0.26 -0.01 0.11 -0.04 2.09 1.89 3gvhC1 GLU 160 HB3 -0.75 0.09 0.16 -0.04 1.99 1.45 3gvhC1 GLU 160 HG2 -0.47 -0.12 -0.07 -0.04 2.34 1.64 3gvhC1 GLU 160 HG3 -0.80 0.10 -0.21 -0.04 2.34 1.38 3gvhC1 PHE 161 H -0.07 0.46 -0.26 -0.55 8.34 7.92 3gvhC1 PHE 161 HA 0.08 0.21 0.72 -0.75 4.62 4.89 3gvhC1 PHE 161 HB2 0.22 -0.01 -0.07 -0.04 3.15 3.24 3gvhC1 PHE 161 HB3 0.44 -0.02 0.05 -0.04 3.06 3.49 3gvhC1 PHE 161 HD2 0.28 0.09 -0.11 -0.04 7.28 7.50 3gvhC1 PHE 161 HE2 0.18 -0.03 -0.24 -0.04 7.38 7.25 3gvhC1 PHE 161 HZ 0.10 -0.10 -0.15 -0.04 7.32 7.13 3gvhC1 ASN 162 H 0.05 0.19 -0.37 -0.55 8.53 7.86 3gvhC1 ASN 162 HA 0.03 0.02 0.34 -0.75 4.76 4.40 3gvhC1 ASN 162 HB2 0.01 0.03 -0.24 -0.04 2.88 2.64 3gvhC1 ASN 162 HB3 0.00 0.11 0.05 -0.04 2.79 2.91 3gvhC1 ASN 162 HD21 -0.00 -0.06 0.03 -0.04 7.03 6.95 3gvhC1 ASN 162 HD22 -0.02 0.02 0.04 -0.04 7.74 7.74 3gvhC1 VAL 163 H 0.14 0.26 -0.03 -0.55 8.24 8.06 3gvhC1 VAL 163 HA 0.08 0.16 0.83 -0.75 4.13 4.44 3gvhC1 VAL 163 HB 0.12 -0.08 0.04 -0.04 2.12 2.16 3gvhC1 VAL 163 HG13 0.21 0.06 -0.22 -0.04 0.97 0.99 3gvhC1 VAL 163 HG23 0.22 0.00 -0.19 -0.04 0.95 0.93 3gvhC1 SER 164 H 0.06 0.13 0.11 -0.55 8.46 8.21 3gvhC1 SER 164 HA 0.05 0.08 0.45 -0.75 4.49 4.32 3gvhC1 SER 164 HB2 0.04 0.11 0.13 -0.04 3.95 4.19 3gvhC1 SER 164 HB3 0.04 -0.01 0.07 -0.04 3.93 3.99 3gvhC1 VAL 165 H 0.06 0.16 0.18 -0.55 8.24 8.10 3gvhC1 VAL 165 HA 0.06 0.15 0.49 -0.75 4.13 4.08 3gvhC1 VAL 165 HB 0.07 0.03 0.05 -0.04 2.12 2.23 3gvhC1 VAL 165 HG13 0.13 0.01 0.06 -0.04 0.97 1.13 3gvhC1 VAL 165 HG23 0.05 0.00 -0.03 -0.04 0.95 0.92 3gvhC1 GLU 166 H 0.04 0.00 -0.38 -0.55 8.60 7.71 3gvhC1 GLU 166 HA 0.02 0.15 0.36 -0.75 4.29 4.08 3gvhC1 GLU 166 HB2 0.02 -0.03 -0.02 -0.04 2.09 2.03 3gvhC1 GLU 166 HB3 0.02 0.05 0.06 -0.04 1.99 2.08 3gvhC1 GLU 166 HG2 0.02 0.05 -0.04 -0.04 2.34 2.33 3gvhC1 GLU 166 HG3 0.03 -0.10 -0.00 -0.04 2.34 2.22 3gvhC1 ASP 167 H 0.04 0.41 -0.47 -0.55 8.40 7.84 3gvhC1 ASP 167 HA 0.01 0.21 0.87 -0.75 4.63 4.97 3gvhC1 ASP 167 HB2 0.05 0.10 0.01 -0.04 2.71 2.83 3gvhC1 ASP 167 HB3 0.03 -0.10 0.14 -0.04 2.70 2.73 3gvhC1 VAL 168 H 0.03 0.36 -0.26 -0.55 8.24 7.81 3gvhC1 VAL 168 HA -0.00 0.27 1.07 -0.75 4.13 4.72 3gvhC1 VAL 168 HB 0.02 0.04 0.11 -0.04 2.12 2.25 3gvhC1 VAL 168 HG13 -0.03 -0.01 -0.13 -0.04 0.97 0.75 3gvhC1 VAL 168 HG23 0.10 0.01 -0.13 -0.04 0.95 0.89 3gvhC1 THR 169 H -0.04 0.56 0.25 -0.55 8.28 8.50 3gvhC1 THR 169 HA -0.02 0.18 0.81 -0.75 4.39 4.61 3gvhC1 THR 169 HB -0.02 -0.13 0.05 -0.04 4.32 4.19 3gvhC1 THR 169 HG23 0.03 0.02 -0.10 -0.04 1.22 1.13 3gvhC1 VAL 170 H -0.03 0.26 0.16 -0.55 8.24 8.09 3gvhC1 VAL 170 HA -0.09 0.12 0.81 -0.75 4.13 4.21 3gvhC1 VAL 170 HB -0.32 -0.06 -0.00 -0.04 2.12 1.70 3gvhC1 VAL 170 HG13 -0.63 -0.00 -0.30 -0.04 0.97 -0.00 3gvhC1 VAL 170 HG23 0.02 0.01 -0.09 -0.04 0.95 0.85 3gvhC1 PHE 171 H 0.21 0.15 -0.00 -0.55 8.34 8.15 3gvhC1 PHE 171 HA 0.07 0.19 0.85 -0.75 4.62 4.98 3gvhC1 PHE 171 HB2 0.12 0.32 -0.12 -0.04 3.15 3.43 3gvhC1 PHE 171 HB3 0.15 -0.12 0.07 -0.04 3.06 3.13 3gvhC1 PHE 171 HD2 0.09 0.00 -0.19 -0.04 7.28 7.14 3gvhC1 PHE 171 HE2 0.08 0.00 -0.10 -0.04 7.38 7.32 3gvhC1 PHE 171 HZ 0.16 -0.02 -0.07 -0.04 7.32 7.36 3gvhC1 VAL 172 H -0.19 0.29 0.07 -0.55 8.24 7.86 3gvhC1 VAL 172 HA 0.17 0.18 0.94 -0.75 4.13 4.66 3gvhC1 VAL 172 HB 0.09 0.09 -0.18 -0.04 2.12 2.09 3gvhC1 VAL 172 HG13 0.25 -0.04 -0.38 -0.04 0.97 0.76 3gvhC1 VAL 172 HG23 0.03 -0.01 -0.10 -0.04 0.95 0.84 3gvhC1 LEU 173 H 0.12 0.52 0.15 -0.55 8.37 8.61 3gvhC1 LEU 173 HA 0.02 0.20 0.74 -0.75 4.35 4.56 3gvhC1 LEU 173 HB2 0.20 0.00 0.09 -0.04 1.64 1.89 3gvhC1 LEU 173 HB3 0.25 0.05 0.18 -0.04 1.64 2.07 3gvhC1 LEU 173 HG 0.22 -0.07 -0.21 -0.04 1.64 1.54 3gvhC1 LEU 173 HD13 -0.05 -0.01 -0.03 -0.04 0.93 0.80 3gvhC1 LEU 173 HD23 -0.01 0.03 0.03 -0.04 0.89 0.90 3gvhC1 GLY 174 H 0.04 0.57 0.28 -0.55 8.43 8.78 3gvhC1 GLY 174 HA2 -0.10 -0.05 0.38 -0.51 4.01 3.74 3gvhC1 GLY 174 HA3 -0.04 0.28 0.48 -0.51 4.01 4.22 3gvhC1 GLY 175 H -0.06 0.33 -0.14 -0.55 8.43 8.01 3gvhC1 GLY 175 HA2 -0.18 0.12 0.67 -0.51 4.01 4.12 3gvhC1 GLY 175 HA3 -0.12 -0.07 0.27 -0.51 4.01 3.58 3gvhC1 HIS 176 H -0.09 0.04 0.10 -0.55 8.41 7.91 3gvhC1 HIS 176 HA 0.01 0.18 0.43 -0.75 4.63 4.50 3gvhC1 HIS 176 HB2 0.01 -0.05 0.10 -0.04 3.26 3.28 3gvhC1 HIS 176 HB3 0.01 0.06 0.11 -0.04 3.20 3.34 3gvhC1 HIS 176 HD2 0.01 -0.03 0.07 -0.04 6.97 6.98 3gvhC1 HIS 176 HE1 0.03 0.14 0.05 -0.04 7.75 7.93 3gvhC1 GLY 177 H 0.11 0.21 0.25 -0.55 8.43 8.46 3gvhC1 GLY 177 HA2 0.03 0.26 0.50 -0.51 4.01 4.29 3gvhC1 GLY 177 HA3 0.04 -0.03 0.39 -0.51 4.01 3.90 3gvhC1 ASP 178 H 0.01 0.13 0.26 -0.55 8.40 8.26 3gvhC1 ASP 178 HA 0.00 0.13 0.46 -0.75 4.63 4.46 3gvhC1 ASP 178 HB2 -0.00 -0.03 0.13 -0.04 2.71 2.76 3gvhC1 ASP 178 HB3 -0.01 0.05 0.06 -0.04 2.70 2.76 3gvhC1 SER 179 H 0.01 0.28 -0.15 -0.55 8.46 8.05 3gvhC1 SER 179 HA -0.03 0.18 0.63 -0.75 4.49 4.51 3gvhC1 SER 179 HB2 -0.06 0.03 0.13 -0.04 3.95 4.01 3gvhC1 SER 179 HB3 -0.03 -0.02 0.07 -0.04 3.93 3.91 3gvhC1 MET 180 H 0.02 0.25 -0.74 -0.55 8.47 7.45 3gvhC1 MET 180 HA 0.02 0.13 0.44 -0.75 4.52 4.35 3gvhC1 MET 180 HB2 0.05 -0.11 0.01 -0.04 2.15 2.06 3gvhC1 MET 180 HB3 0.03 0.03 0.00 -0.04 2.03 2.05 3gvhC1 MET 180 HG2 0.07 -0.05 -0.23 -0.04 2.63 2.37 3gvhC1 MET 180 HG3 0.06 0.06 -0.11 -0.04 2.56 2.54 3gvhC1 MET 180 HE3 -0.07 0.00 -0.08 -0.04 2.10 1.91 3gvhC1 VAL 181 H 0.06 0.66 0.14 -0.55 8.24 8.56 3gvhC1 VAL 181 HA 0.06 0.22 0.86 -0.75 4.13 4.52 3gvhC1 VAL 181 HB 0.15 -0.12 0.08 -0.04 2.12 2.19 3gvhC1 VAL 181 HG13 0.12 -0.01 -0.07 -0.04 0.97 0.97 3gvhC1 VAL 181 HG23 0.06 0.03 -0.32 -0.04 0.95 0.67 3gvhC1 PRO 182 HA 0.23 0.21 0.66 -0.51 4.44 5.03 3gvhC1 PRO 182 HB2 0.32 -0.04 -0.05 -0.04 2.28 2.47 3gvhC1 PRO 182 HB3 0.21 0.02 0.01 -0.04 2.02 2.22 3gvhC1 PRO 182 HG2 0.09 -0.05 -0.01 -0.04 2.03 2.02 3gvhC1 PRO 182 HG3 0.01 0.05 -0.01 -0.04 2.03 2.04 3gvhC1 PRO 182 HD2 0.06 0.12 0.12 -0.04 3.68 3.94 3gvhC1 PRO 182 HD3 0.05 0.18 -0.20 -0.04 3.65 3.64 3gvhC1 LEU 183 H 0.29 0.63 0.21 -0.55 8.37 8.96 3gvhC1 LEU 183 HA 0.05 0.12 0.81 -0.75 4.35 4.57 3gvhC1 LEU 183 HB2 0.13 0.10 0.09 -0.04 1.64 1.93 3gvhC1 LEU 183 HB3 -0.21 -0.14 0.04 -0.04 1.64 1.29 3gvhC1 LEU 183 HG -0.08 -0.04 0.02 -0.04 1.64 1.50 3gvhC1 LEU 183 HD13 0.17 0.05 -0.37 -0.04 0.93 0.73 3gvhC1 LEU 183 HD23 -0.38 -0.00 -0.07 -0.04 0.89 0.40 3gvhC1 ALA 184 H 0.08 0.25 -0.01 -0.55 8.40 8.17 3gvhC1 ALA 184 HA 0.13 0.10 0.37 -0.75 4.34 4.19 3gvhC1 ALA 184 HB3 0.08 0.02 0.06 -0.04 1.41 1.53 3gvhC1 ARG 185 H -0.04 0.05 -0.22 -0.55 8.46 7.70 3gvhC1 ARG 185 HA 0.00 0.07 0.40 -0.75 4.34 4.06 3gvhC1 ARG 185 HB2 -0.04 0.07 0.10 -0.04 1.90 2.00 3gvhC1 ARG 185 HB3 -0.07 -0.05 0.08 -0.04 1.80 1.73 3gvhC1 ARG 185 HG2 -0.31 -0.12 -0.04 -0.04 1.67 1.16 3gvhC1 ARG 185 HG3 -0.53 0.11 -0.25 -0.04 1.67 0.96 3gvhC1 ARG 185 HD2 -0.18 0.06 -0.01 -0.04 3.22 3.05 3gvhC1 ARG 185 HD3 -0.16 -0.05 0.02 -0.04 3.22 2.99 3gvhC1 TYR 186 H 0.05 0.35 -0.47 -0.55 8.29 7.67 3gvhC1 TYR 186 HA -0.10 0.20 0.76 -0.75 4.56 4.67 3gvhC1 TYR 186 HB2 -0.36 -0.02 0.05 -0.04 3.06 2.68 3gvhC1 TYR 186 HB3 -0.37 0.00 0.11 -0.04 2.98 2.68 3gvhC1 TYR 186 HD2 -0.88 0.12 -0.22 -0.04 7.15 6.13 3gvhC1 TYR 186 HE2 -0.20 -0.01 -0.05 -0.04 6.85 6.54 3gvhC1 SER 187 H 0.07 0.38 -0.18 -0.55 8.46 8.19 3gvhC1 SER 187 HA 0.02 0.17 0.67 -0.75 4.49 4.59 3gvhC1 SER 187 HB2 0.00 -0.03 0.19 -0.04 3.95 4.07 3gvhC1 SER 187 HB3 -0.17 0.12 0.17 -0.04 3.93 4.00 3gvhC1 THR 188 H -0.05 0.67 0.33 -0.55 8.28 8.68 3gvhC1 THR 188 HA -0.10 0.26 0.84 -0.75 4.39 4.64 3gvhC1 THR 188 HB -0.09 -0.05 -0.45 -0.04 4.32 3.68 3gvhC1 THR 188 HG23 -0.04 0.02 -0.64 -0.04 1.22 0.51 3gvhC1 VAL 189 H -0.22 0.54 0.16 -0.55 8.24 8.17 3gvhC1 VAL 189 HA -0.06 0.37 0.65 -0.75 4.13 4.34 3gvhC1 VAL 189 HB -0.45 -0.00 0.16 -0.04 2.12 1.79 3gvhC1 VAL 189 HG13 -0.02 0.02 -0.12 -0.04 0.97 0.81 3gvhC1 VAL 189 HG23 -0.23 -0.00 -0.07 -0.04 0.95 0.60 3gvhC1 ALA 190 H -0.04 0.62 0.13 -0.55 8.40 8.57 3gvhC1 ALA 190 HA -0.02 0.04 0.32 -0.75 4.34 3.92 3gvhC1 ALA 190 HB3 -0.03 0.05 0.00 -0.04 1.41 1.39 3gvhC1 GLY 191 H -0.06 0.02 -0.48 -0.55 8.43 7.35 3gvhC1 GLY 191 HA2 -0.06 -0.02 0.18 -0.51 4.01 3.60 3gvhC1 GLY 191 HA3 -0.06 0.17 0.57 -0.51 4.01 4.19 3gvhC1 ILE 192 H -0.14 0.58 -0.42 -0.55 8.25 7.72 3gvhC1 ILE 192 HA -0.13 0.16 0.70 -0.75 4.18 4.15 3gvhC1 ILE 192 HB -0.36 -0.04 0.17 -0.04 1.89 1.62 3gvhC1 ILE 192 HG12 -0.15 -0.02 -0.04 -0.04 1.49 1.24 3gvhC1 ILE 192 HG13 -0.16 0.12 -0.04 -0.04 1.21 1.09 3gvhC1 ILE 192 HG23 -0.30 0.01 -0.16 -0.04 0.93 0.44 3gvhC1 ILE 192 HD13 -0.29 -0.01 -0.01 -0.04 0.88 0.53 3gvhC1 PRO 193 HA -0.07 0.34 0.34 -0.51 4.44 4.54 3gvhC1 PRO 193 HB2 -0.04 -0.25 0.04 -0.04 2.28 1.98 3gvhC1 PRO 193 HB3 -0.01 0.21 0.17 -0.04 2.02 2.35 3gvhC1 PRO 193 HG2 -0.04 -0.04 0.12 -0.04 2.03 2.04 3gvhC1 PRO 193 HG3 -0.03 0.16 0.11 -0.04 2.03 2.23 3gvhC1 PRO 193 HD2 -0.10 0.00 0.20 -0.04 3.68 3.74 3gvhC1 PRO 193 HD3 -0.08 0.36 0.36 -0.04 3.65 4.25 3gvhC1 LEU 194 H -0.03 0.64 0.33 -0.55 8.37 8.77 3gvhC1 LEU 194 HA -0.06 0.04 0.33 -0.75 4.35 3.92 3gvhC1 LEU 194 HB2 0.05 0.01 0.15 -0.04 1.64 1.81 3gvhC1 LEU 194 HB3 0.09 -0.10 -0.02 -0.04 1.64 1.58 3gvhC1 LEU 194 HG 0.02 0.18 0.05 -0.04 1.64 1.85 3gvhC1 LEU 194 HD13 0.17 -0.04 -0.02 -0.04 0.93 0.99 3gvhC1 LEU 194 HD23 0.05 0.00 -0.13 -0.04 0.89 0.77 3gvhC1 PRO 195 HA 0.01 0.03 0.40 -0.51 4.44 4.36 3gvhC1 PRO 195 HB2 -0.02 0.08 -0.04 -0.04 2.28 2.26 3gvhC1 PRO 195 HB3 -0.00 0.02 0.04 -0.04 2.02 2.04 3gvhC1 PRO 195 HG2 -0.01 0.04 -0.04 -0.04 2.03 1.98 3gvhC1 PRO 195 HG3 0.01 -0.04 -0.06 -0.04 2.03 1.90 3gvhC1 PRO 195 HD2 -0.02 0.13 -0.15 -0.04 3.68 3.59 3gvhC1 PRO 195 HD3 0.01 0.18 -0.09 -0.04 3.65 3.71 3gvhC1 ASP 196 H -0.07 0.28 -0.28 -0.55 8.40 7.78 3gvhC1 ASP 196 HA -0.05 0.03 0.55 -0.75 4.63 4.41 3gvhC1 ASP 196 HB2 -0.14 0.18 0.02 -0.04 2.71 2.73 3gvhC1 ASP 196 HB3 -0.11 -0.00 0.03 -0.04 2.70 2.57 3gvhC1 LEU 197 H -0.17 0.41 -0.27 -0.55 8.37 7.79 3gvhC1 LEU 197 HA -0.47 0.07 0.41 -0.75 4.35 3.60 3gvhC1 LEU 197 HB2 -0.20 0.09 0.06 -0.04 1.64 1.55 3gvhC1 LEU 197 HB3 -0.40 -0.04 -0.10 -0.04 1.64 1.06 3gvhC1 LEU 197 HG -0.51 0.12 -0.17 -0.04 1.64 1.04 3gvhC1 LEU 197 HD13 -0.72 -0.03 -0.10 -0.04 0.93 0.03 3gvhC1 LEU 197 HD23 -1.71 0.00 -0.05 -0.04 0.89 -0.90 3gvhC1 VAL 198 H -0.01 0.40 -0.18 -0.55 8.24 7.91 3gvhC1 VAL 198 HA 0.10 0.13 0.39 -0.75 4.13 4.01 3gvhC1 VAL 198 HB 0.03 0.20 0.11 -0.04 2.12 2.42 3gvhC1 VAL 198 HG13 0.05 -0.03 -0.12 -0.04 0.97 0.83 3gvhC1 VAL 198 HG23 0.07 0.02 -0.16 -0.04 0.95 0.84 3gvhC1 LYS 199 H -0.00 0.31 -0.19 -0.55 8.42 7.99 3gvhC1 LYS 199 HA 0.03 0.01 0.45 -0.75 4.32 4.06 3gvhC1 LYS 199 HB2 -0.01 0.08 0.22 -0.04 1.87 2.12 3gvhC1 LYS 199 HB3 0.01 -0.01 0.08 -0.04 1.79 1.83 3gvhC1 LYS 199 HG2 0.01 -0.05 0.06 -0.04 1.46 1.44 3gvhC1 LYS 199 HG3 -0.00 0.15 0.14 -0.04 1.46 1.71 3gvhC1 LYS 199 HD2 -0.01 -0.00 0.02 -0.04 1.69 1.65 3gvhC1 LYS 199 HD3 -0.00 -0.00 0.03 -0.04 1.68 1.66 3gvhC1 LYS 199 HE2 0.00 -0.02 0.01 -0.04 2.99 2.93 3gvhC1 LYS 199 HE3 -0.00 0.00 -0.02 -0.04 2.99 2.92 3gvhC1 MET 200 H -0.01 0.56 -0.01 -0.55 8.47 8.47 3gvhC1 MET 200 HA 0.09 0.01 0.35 -0.75 4.52 4.21 3gvhC1 MET 200 HB2 -0.07 0.04 0.13 -0.04 2.15 2.21 3gvhC1 MET 200 HB3 0.27 -0.02 0.17 -0.04 2.03 2.42 3gvhC1 MET 200 HG2 0.06 -0.03 0.06 -0.04 2.63 2.68 3gvhC1 MET 200 HG3 -0.01 -0.05 0.08 -0.04 2.56 2.54 3gvhC1 MET 200 HE3 -0.14 -0.00 -0.00 -0.04 2.10 1.91 3gvhC1 GLY 201 H 0.11 0.40 -1.12 -0.55 8.43 7.28 3gvhC1 GLY 201 HA2 0.12 0.06 0.36 -0.51 4.01 4.04 3gvhC1 GLY 201 HA3 0.12 -0.04 0.29 -0.51 4.01 3.87 3gvhC1 TRP 202 H 0.45 0.32 -0.41 -0.55 7.97 7.78 3gvhC1 TRP 202 HA 0.08 0.08 0.45 -0.75 4.62 4.47 3gvhC1 TRP 202 HB2 0.01 0.01 -0.04 -0.04 3.23 3.16 3gvhC1 TRP 202 HB3 0.14 -0.05 -0.10 -0.04 3.23 3.18 3gvhC1 TRP 202 HD1 -0.02 0.22 -0.09 -0.04 7.22 7.30 3gvhC1 TRP 202 HE1 -0.04 -0.02 0.01 -0.04 10.20 10.10 3gvhC1 TRP 202 HE3 -0.59 -0.03 -0.05 -0.04 7.59 6.88 3gvhC1 TRP 202 HZ2 -0.06 -0.02 -0.01 -0.04 7.44 7.31 3gvhC1 TRP 202 HZ3 -0.22 -0.02 -0.04 -0.04 7.13 6.82 3gvhC1 TRP 202 HH2 -0.08 -0.02 -0.03 -0.04 7.19 7.01 3gvhC1 THR 203 H 0.29 0.32 -0.19 -0.55 8.28 8.15 3gvhC1 THR 203 HA 0.18 0.14 0.32 -0.75 4.39 4.27 3gvhC1 THR 203 HB 0.51 0.20 -0.28 -0.04 4.32 4.71 3gvhC1 THR 203 HG23 0.32 -0.02 -0.32 -0.04 1.22 1.16 3gvhC1 SER 204 H 0.09 0.12 0.16 -0.55 8.46 8.29 3gvhC1 SER 204 HA 0.07 0.31 0.91 -0.75 4.49 5.04 3gvhC1 SER 204 HB2 0.04 -0.01 0.14 -0.04 3.95 4.07 3gvhC1 SER 204 HB3 0.05 0.19 -0.00 -0.04 3.93 4.12 3gvhC1 GLN 205 H 0.05 0.27 0.18 -0.55 8.47 8.42 3gvhC1 GLN 205 HA 0.06 0.10 0.38 -0.75 4.36 4.14 3gvhC1 GLN 205 HB2 0.04 0.08 0.13 -0.04 2.15 2.36 3gvhC1 GLN 205 HB3 0.03 0.02 0.11 -0.04 2.02 2.14 3gvhC1 GLN 205 HG2 0.02 0.06 0.00 -0.04 2.40 2.44 3gvhC1 GLN 205 HG3 0.03 -0.02 -0.11 -0.04 2.39 2.24 3gvhC1 GLN 205 HE21 0.04 -0.01 -0.02 -0.04 6.97 6.94 3gvhC1 GLN 205 HE22 0.03 0.05 0.02 -0.04 7.69 7.75 3gvhC1 ASP 206 H 0.03 0.11 -0.15 -0.55 8.40 7.84 3gvhC1 ASP 206 HA 0.01 0.10 0.33 -0.75 4.63 4.32 3gvhC1 ASP 206 HB2 0.01 0.03 0.08 -0.04 2.71 2.79 3gvhC1 ASP 206 HB3 0.01 0.01 0.01 -0.04 2.70 2.70 3gvhC1 LYS 207 H 0.03 0.12 -0.33 -0.55 8.42 7.69 3gvhC1 LYS 207 HA -0.01 0.11 0.52 -0.75 4.32 4.20 3gvhC1 LYS 207 HB2 0.03 -0.09 0.15 -0.04 1.87 1.93 3gvhC1 LYS 207 HB3 -0.00 0.08 0.01 -0.04 1.79 1.83 3gvhC1 LYS 207 HG2 -0.02 0.06 0.03 -0.04 1.46 1.49 3gvhC1 LYS 207 HG3 -0.01 -0.03 -0.02 -0.04 1.46 1.36 3gvhC1 LYS 207 HD2 0.01 -0.05 0.00 -0.04 1.69 1.62 3gvhC1 LYS 207 HD3 0.02 -0.01 0.05 -0.04 1.68 1.70 3gvhC1 LYS 207 HE2 -0.02 0.04 0.01 -0.04 2.99 2.98 3gvhC1 LYS 207 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 3gvhC1 LEU 208 H 0.06 0.39 -0.12 -0.55 8.37 8.15 3gvhC1 LEU 208 HA 0.10 0.06 0.39 -0.75 4.35 4.14 3gvhC1 LEU 208 HB2 0.08 0.09 0.17 -0.04 1.64 1.95 3gvhC1 LEU 208 HB3 0.10 -0.03 -0.07 -0.04 1.64 1.60 3gvhC1 LEU 208 HG 0.18 -0.03 -0.03 -0.04 1.64 1.72 3gvhC1 LEU 208 HD13 0.21 0.02 -0.09 -0.04 0.93 1.04 3gvhC1 LEU 208 HD23 0.11 0.01 -0.15 -0.04 0.89 0.82 3gvhC1 ASP 209 H 0.03 0.54 -0.14 -0.55 8.40 8.28 3gvhC1 ASP 209 HA 0.01 -0.00 0.36 -0.75 4.63 4.24 3gvhC1 ASP 209 HB2 0.01 0.13 0.13 -0.04 2.71 2.93 3gvhC1 ASP 209 HB3 -0.00 -0.02 0.03 -0.04 2.70 2.67 3gvhC1 LYS 210 H -0.01 0.35 -0.39 -0.55 8.42 7.82 3gvhC1 LYS 210 HA -0.05 0.02 0.45 -0.75 4.32 3.99 3gvhC1 LYS 210 HB2 -0.03 0.11 0.19 -0.04 1.87 2.09 3gvhC1 LYS 210 HB3 -0.07 -0.02 -0.02 -0.04 1.79 1.65 3gvhC1 LYS 210 HG2 -0.04 -0.03 0.03 -0.04 1.46 1.38 3gvhC1 LYS 210 HG3 -0.03 -0.03 0.01 -0.04 1.46 1.38 3gvhC1 LYS 210 HD2 -0.02 0.01 -0.04 -0.04 1.69 1.60 3gvhC1 LYS 210 HD3 -0.03 -0.00 -0.01 -0.04 1.68 1.59 3gvhC1 LYS 210 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.90 3gvhC1 LYS 210 HE3 -0.01 -0.00 -0.02 -0.04 2.99 2.91 3gvhC1 ILE 211 H -0.02 0.51 -0.11 -0.55 8.25 8.08 3gvhC1 ILE 211 HA -0.12 0.02 0.45 -0.75 4.18 3.79 3gvhC1 ILE 211 HB 0.09 0.10 0.17 -0.04 1.89 2.21 3gvhC1 ILE 211 HG12 -0.01 -0.04 -0.03 -0.04 1.49 1.37 3gvhC1 ILE 211 HG13 -0.03 0.10 0.03 -0.04 1.21 1.27 3gvhC1 ILE 211 HG23 0.29 -0.02 -0.13 -0.04 0.93 1.03 3gvhC1 ILE 211 HD13 -0.01 -0.01 -0.14 -0.04 0.88 0.68 3gvhC1 ILE 212 H -0.07 0.65 -0.08 -0.55 8.25 8.20 3gvhC1 ILE 212 HA -0.48 -0.01 0.40 -0.75 4.18 3.34 3gvhC1 ILE 212 HB -0.06 0.12 0.17 -0.04 1.89 2.07 3gvhC1 ILE 212 HG12 -0.16 -0.05 -0.01 -0.04 1.49 1.23 3gvhC1 ILE 212 HG13 -0.16 -0.00 0.00 -0.04 1.21 1.01 3gvhC1 ILE 212 HG23 -0.09 -0.01 -0.12 -0.04 0.93 0.66 3gvhC1 ILE 212 HD13 0.08 -0.02 -0.12 -0.04 0.88 0.78 3gvhC1 GLN 213 H -0.07 0.63 -0.09 -0.55 8.47 8.40 3gvhC1 GLN 213 HA -0.05 -0.01 0.40 -0.75 4.36 3.96 3gvhC1 GLN 213 HB2 -0.04 0.06 0.12 -0.04 2.15 2.25 3gvhC1 GLN 213 HB3 -0.06 0.13 0.10 -0.04 2.02 2.15 3gvhC1 GLN 213 HG2 -0.03 0.00 -0.02 -0.04 2.40 2.31 3gvhC1 GLN 213 HG3 -0.04 -0.03 -0.14 -0.04 2.39 2.15 3gvhC1 GLN 213 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.89 3gvhC1 GLN 213 HE22 -0.02 -0.02 -0.01 -0.04 7.69 7.60 3gvhC1 ARG 214 H -0.11 0.62 -0.26 -0.55 8.46 8.16 3gvhC1 ARG 214 HA -0.10 -0.01 0.44 -0.75 4.34 3.92 3gvhC1 ARG 214 HB2 -0.27 0.13 0.13 -0.04 1.90 1.85 3gvhC1 ARG 214 HB3 -0.40 0.10 0.12 -0.04 1.80 1.58 3gvhC1 ARG 214 HG2 -0.48 -0.07 -0.13 -0.04 1.67 0.95 3gvhC1 ARG 214 HG3 -0.27 -0.03 0.02 -0.04 1.67 1.35 3gvhC1 ARG 214 HD2 -0.52 0.02 -0.03 -0.04 3.22 2.65 3gvhC1 ARG 214 HD3 -1.83 -0.00 -0.03 -0.04 3.22 1.31 3gvhC1 THR 215 H -0.01 0.64 -0.13 -0.55 8.28 8.22 3gvhC1 THR 215 HA 0.27 -0.04 0.46 -0.75 4.39 4.33 3gvhC1 THR 215 HB -0.19 0.18 0.17 -0.04 4.32 4.43 3gvhC1 THR 215 HG23 0.04 -0.03 -0.03 -0.04 1.22 1.15 3gvhC1 ARG 216 H -0.03 0.58 -0.08 -0.55 8.46 8.38 3gvhC1 ARG 216 HA 0.02 -0.09 0.46 -0.75 4.34 3.98 3gvhC1 ARG 216 HB2 -0.02 0.16 0.16 -0.04 1.90 2.16 3gvhC1 ARG 216 HB3 0.00 -0.19 0.01 -0.04 1.80 1.58 3gvhC1 ARG 216 HG2 -0.00 0.12 0.07 -0.04 1.67 1.81 3gvhC1 ARG 216 HG3 -0.04 0.15 0.03 -0.04 1.67 1.77 3gvhC1 ARG 216 HD2 -0.02 -0.05 -0.03 -0.04 3.22 3.08 3gvhC1 ARG 216 HD3 -0.00 -0.04 -0.14 -0.04 3.22 2.99 3gvhC1 ASP 217 H 0.00 0.54 -0.30 -0.55 8.40 8.10 3gvhC1 ASP 217 HA 0.00 0.06 0.78 -0.75 4.63 4.72 3gvhC1 ASP 217 HB2 -0.02 0.12 0.08 -0.04 2.71 2.85 3gvhC1 ASP 217 HB3 -0.01 -0.11 0.16 -0.04 2.70 2.71 3gvhC1 GLY 218 H 0.05 0.46 -0.38 -0.55 8.43 8.02 3gvhC1 GLY 218 HA2 0.12 0.07 0.37 -0.51 4.01 4.07 3gvhC1 GLY 218 HA3 0.11 0.07 0.36 -0.51 4.01 4.03 3gvhC1 GLY 219 H -0.04 0.19 -0.12 -0.55 8.43 7.91 3gvhC1 GLY 219 HA2 -0.03 0.03 0.42 -0.51 4.01 3.92 3gvhC1 GLY 219 HA3 -0.07 0.05 0.30 -0.51 4.01 3.78 3gvhC1 ALA 220 H -0.01 0.12 -0.13 -0.55 8.40 7.83 3gvhC1 ALA 220 HA 0.00 0.04 0.53 -0.75 4.34 4.15 3gvhC1 ALA 220 HB3 -0.00 0.04 0.11 -0.04 1.41 1.51 3gvhC1 GLU 221 H 0.01 0.64 -0.12 -0.55 8.60 8.59 3gvhC1 GLU 221 HA 0.01 0.04 0.43 -0.75 4.29 4.01 3gvhC1 GLU 221 HB2 0.01 0.05 0.07 -0.04 2.09 2.18 3gvhC1 GLU 221 HB3 0.05 0.09 0.16 -0.04 1.99 2.26 3gvhC1 GLU 221 HG2 0.03 -0.03 -0.18 -0.04 2.34 2.12 3gvhC1 GLU 221 HG3 0.00 -0.01 0.04 -0.04 2.34 2.33 3gvhC1 ILE 222 H 0.02 0.46 -0.09 -0.55 8.25 8.09 3gvhC1 ILE 222 HA 0.02 0.05 0.46 -0.75 4.18 3.95 3gvhC1 ILE 222 HB 0.01 0.03 0.18 -0.04 1.89 2.08 3gvhC1 ILE 222 HG12 0.03 0.23 0.14 -0.04 1.49 1.85 3gvhC1 ILE 222 HG13 0.00 -0.12 0.06 -0.04 1.21 1.10 3gvhC1 ILE 222 HG23 0.00 -0.03 -0.10 -0.04 0.93 0.76 3gvhC1 ILE 222 HD13 0.01 -0.00 0.00 -0.04 0.88 0.85 3gvhC1 VAL 223 H 0.01 0.45 -0.07 -0.55 8.24 8.08 3gvhC1 VAL 223 HA 0.03 0.18 0.49 -0.75 4.13 4.08 3gvhC1 VAL 223 HB 0.01 0.06 0.19 -0.04 2.12 2.34 3gvhC1 VAL 223 HG13 0.01 0.01 -0.14 -0.04 0.97 0.81 3gvhC1 VAL 223 HG23 0.01 0.01 0.03 -0.04 0.95 0.96 3gvhC1 GLY 224 H 0.01 0.47 -0.27 -0.55 8.43 8.10 3gvhC1 GLY 224 HA2 0.01 0.04 0.44 -0.51 4.01 3.98 3gvhC1 GLY 224 HA3 0.01 0.04 0.31 -0.51 4.01 3.85 3gvhC1 LEU 225 H 0.02 0.35 -0.07 -0.55 8.37 8.12 3gvhC1 LEU 225 HA 0.01 0.07 0.60 -0.75 4.35 4.29 3gvhC1 LEU 225 HB2 0.02 0.01 0.17 -0.04 1.64 1.80 3gvhC1 LEU 225 HB3 0.02 -0.04 0.05 -0.04 1.64 1.63 3gvhC1 LEU 225 HG 0.02 0.12 0.07 -0.04 1.64 1.81 3gvhC1 LEU 225 HD13 0.02 -0.03 -0.02 -0.04 0.93 0.86 3gvhC1 LEU 225 HD23 0.01 -0.00 0.00 -0.04 0.89 0.86 3gvhC1 LEU 226 H 0.03 0.59 -0.05 -0.55 8.37 8.39 3gvhC1 LEU 226 HA 0.04 0.07 0.35 -0.75 4.35 4.05 3gvhC1 LEU 226 HB2 0.05 0.18 -0.01 -0.04 1.64 1.82 3gvhC1 LEU 226 HB3 0.07 -0.12 -0.01 -0.04 1.64 1.54 3gvhC1 LEU 226 HG 0.04 0.07 -0.03 -0.04 1.64 1.68 3gvhC1 LEU 226 HD13 0.10 -0.06 -0.30 -0.04 0.93 0.64 3gvhC1 LEU 226 HD23 0.07 -0.01 -0.06 -0.04 0.89 0.84 3gvhC1 LYS 227 H 0.02 0.32 -0.51 -0.55 8.42 7.70 3gvhC1 LYS 227 HA 0.02 0.08 0.39 -0.75 4.32 4.05 3gvhC1 LYS 227 HB2 0.02 0.07 0.19 -0.04 1.87 2.10 3gvhC1 LYS 227 HB3 0.01 -0.08 0.05 -0.04 1.79 1.74 3gvhC1 LYS 227 HG2 0.02 0.13 -0.30 -0.04 1.46 1.26 3gvhC1 LYS 227 HG3 0.01 -0.07 -0.05 -0.04 1.46 1.31 3gvhC1 LYS 227 HD2 0.01 -0.10 0.04 -0.04 1.69 1.60 3gvhC1 LYS 227 HD3 0.01 0.21 0.07 -0.04 1.68 1.93 3gvhC1 LYS 227 HE2 0.01 -0.07 0.01 -0.04 2.99 2.90 3gvhC1 LYS 227 HE3 0.01 -0.07 0.04 -0.04 2.99 2.92 3gvhC1 THR 228 H 0.03 0.61 -0.16 -0.55 8.28 8.22 3gvhC1 THR 228 HA 0.01 0.24 0.97 -0.75 4.39 4.86 3gvhC1 THR 228 HB 0.01 -0.05 0.19 -0.04 4.32 4.42 3gvhC1 THR 228 HG23 0.01 0.02 -0.04 -0.04 1.22 1.17 3gvhC1 GLY 229 H 0.03 0.35 -0.14 -0.55 8.43 8.13 3gvhC1 GLY 229 HA2 0.02 0.04 0.23 -0.51 4.01 3.79 3gvhC1 GLY 229 HA3 0.04 0.04 0.46 -0.51 4.01 4.04 3gvhC1 SER 230 H 0.06 0.10 0.11 -0.55 8.46 8.18 3gvhC1 SER 230 HA 0.05 0.22 0.80 -0.75 4.49 4.80 3gvhC1 SER 230 HB2 0.03 -0.06 0.14 -0.04 3.95 4.02 3gvhC1 SER 230 HB3 0.03 0.04 -0.09 -0.04 3.93 3.87 3gvhC1 ALA 231 H 0.03 0.11 0.12 -0.55 8.40 8.11 3gvhC1 ALA 231 HA -0.03 0.06 0.36 -0.75 4.34 3.98 3gvhC1 ALA 231 HB3 -0.02 -0.00 0.10 -0.04 1.41 1.45 3gvhC1 PHE 232 H -0.44 0.02 0.20 -0.55 8.34 7.56 3gvhC1 PHE 232 HA -0.07 0.15 0.57 -0.75 4.62 4.52 3gvhC1 PHE 232 HB2 -0.18 0.02 -0.24 -0.04 3.15 2.71 3gvhC1 PHE 232 HB3 -0.11 0.03 -0.12 -0.04 3.06 2.81 3gvhC1 PHE 232 HD2 -0.36 0.15 -0.14 -0.04 7.28 6.89 3gvhC1 PHE 232 HE2 -0.34 0.06 -0.04 -0.04 7.38 7.03 3gvhC1 PHE 232 HZ -0.01 0.06 -0.02 -0.04 7.32 7.31 3gvhC1 TYR 233 H -0.55 0.04 0.15 -0.55 8.29 7.39 3gvhC1 TYR 233 HA -0.01 0.16 0.44 -0.75 4.56 4.39 3gvhC1 TYR 233 HB2 -0.22 -0.04 0.15 -0.04 3.06 2.90 3gvhC1 TYR 233 HB3 -0.10 0.10 0.00 -0.04 2.98 2.94 3gvhC1 TYR 233 HD2 -0.27 -0.01 0.04 -0.04 7.15 6.86 3gvhC1 TYR 233 HE2 -0.08 0.05 -0.02 -0.04 6.85 6.76 3gvhC1 ALA 234 H 0.00 0.06 -0.03 -0.55 8.40 7.88 3gvhC1 ALA 234 HA 0.02 0.14 0.41 -0.75 4.34 4.15 3gvhC1 ALA 234 HB3 -0.03 0.02 0.01 -0.04 1.41 1.37 3gvhC1 PRO 235 HA 0.04 0.03 0.43 -0.51 4.44 4.43 3gvhC1 PRO 235 HB2 0.05 0.07 -0.08 -0.04 2.28 2.28 3gvhC1 PRO 235 HB3 0.04 0.05 -0.02 -0.04 2.02 2.06 3gvhC1 PRO 235 HG2 0.03 0.27 -0.32 -0.04 2.03 1.97 3gvhC1 PRO 235 HG3 0.01 0.02 -0.09 -0.04 2.03 1.94 3gvhC1 PRO 235 HD2 -0.00 -0.09 -0.64 -0.04 3.68 2.90 3gvhC1 PRO 235 HD3 -0.01 0.07 -0.09 -0.04 3.65 3.58 3gvhC1 ALA 236 H 0.05 0.51 -0.26 -0.55 8.40 8.15 3gvhC1 ALA 236 HA 0.05 0.01 0.46 -0.75 4.34 4.11 3gvhC1 ALA 236 HB3 0.07 0.03 0.03 -0.04 1.41 1.50 3gvhC1 ALA 237 H 0.05 0.59 -0.09 -0.55 8.40 8.41 3gvhC1 ALA 237 HA 0.04 0.05 0.29 -0.75 4.34 3.97 3gvhC1 ALA 237 HB3 0.03 0.02 0.03 -0.04 1.41 1.44 3gvhC1 SER 238 H 0.04 0.40 -0.45 -0.55 8.46 7.90 3gvhC1 SER 238 HA 0.04 0.07 0.33 -0.75 4.49 4.17 3gvhC1 SER 238 HB2 0.05 0.12 0.07 -0.04 3.95 4.14 3gvhC1 SER 238 HB3 0.05 -0.18 -0.13 -0.04 3.93 3.62 3gvhC1 ALA 239 H 0.04 0.53 -0.09 -0.55 8.40 8.34 3gvhC1 ALA 239 HA 0.05 -0.01 0.40 -0.75 4.34 4.02 3gvhC1 ALA 239 HB3 0.03 0.02 0.01 -0.04 1.41 1.43 3gvhC1 ILE 240 H 0.04 0.56 -0.23 -0.55 8.25 8.07 3gvhC1 ILE 240 HA 0.05 0.03 0.39 -0.75 4.18 3.90 3gvhC1 ILE 240 HB 0.04 0.10 0.06 -0.04 1.89 2.04 3gvhC1 ILE 240 HG12 0.04 0.06 -0.02 -0.04 1.49 1.54 3gvhC1 ILE 240 HG13 0.04 -0.03 -0.09 -0.04 1.21 1.08 3gvhC1 ILE 240 HG23 0.02 0.00 -0.18 -0.04 0.93 0.74 3gvhC1 ILE 240 HD13 0.04 0.01 -0.09 -0.04 0.88 0.80 3gvhC1 GLN 241 H 0.05 0.39 -0.38 -0.55 8.47 7.98 3gvhC1 GLN 241 HA 0.04 0.05 0.25 -0.75 4.36 3.95 3gvhC1 GLN 241 HB2 0.03 0.05 0.08 -0.04 2.15 2.28 3gvhC1 GLN 241 HB3 0.04 0.07 0.10 -0.04 2.02 2.19 3gvhC1 GLN 241 HG2 0.04 -0.03 -0.24 -0.04 2.40 2.13 3gvhC1 GLN 241 HG3 0.03 0.01 -0.00 -0.04 2.39 2.39 3gvhC1 GLN 241 HE21 0.03 -0.02 -0.02 -0.04 6.97 6.91 3gvhC1 GLN 241 HE22 0.04 -0.01 -0.05 -0.04 7.69 7.63 3gvhC1 MET 242 H 0.07 0.32 -0.26 -0.55 8.47 8.06 3gvhC1 MET 242 HA 0.11 0.03 0.44 -0.75 4.52 4.34 3gvhC1 MET 242 HB2 0.10 0.13 0.11 -0.04 2.15 2.45 3gvhC1 MET 242 HB3 0.19 0.00 -0.09 -0.04 2.03 2.10 3gvhC1 MET 242 HG2 0.10 -0.01 -0.07 -0.04 2.63 2.61 3gvhC1 MET 242 HG3 0.07 0.08 0.01 -0.04 2.56 2.68 3gvhC1 MET 242 HE3 0.06 0.04 -0.22 -0.04 2.10 1.94 3gvhC1 ALA 243 H 0.12 0.58 -0.12 -0.55 8.40 8.43 3gvhC1 ALA 243 HA 0.27 0.04 0.34 -0.75 4.34 4.23 3gvhC1 ALA 243 HB3 0.11 0.02 0.01 -0.04 1.41 1.51 3gvhC1 GLU 244 H 0.09 0.50 -0.36 -0.55 8.60 8.28 3gvhC1 GLU 244 HA 0.06 0.05 0.32 -0.75 4.29 3.97 3gvhC1 GLU 244 HB2 0.04 0.05 0.04 -0.04 2.09 2.18 3gvhC1 GLU 244 HB3 0.04 0.08 0.09 -0.04 1.99 2.16 3gvhC1 GLU 244 HG2 0.02 -0.03 -0.16 -0.04 2.34 2.13 3gvhC1 GLU 244 HG3 0.02 0.02 0.01 -0.04 2.34 2.35 3gvhC1 SER 245 H 0.07 0.42 -0.27 -0.55 8.46 8.14 3gvhC1 SER 245 HA 0.01 -0.02 0.43 -0.75 4.49 4.16 3gvhC1 SER 245 HB2 0.04 0.06 0.12 -0.04 3.95 4.13 3gvhC1 SER 245 HB3 0.06 0.12 0.07 -0.04 3.93 4.14 3gvhC1 TYR 246 H 0.12 0.39 -0.29 -0.55 8.29 7.96 3gvhC1 TYR 246 HA -0.21 0.06 0.29 -0.75 4.56 3.95 3gvhC1 TYR 246 HB2 -0.62 -0.06 0.05 -0.04 3.06 2.38 3gvhC1 TYR 246 HB3 -0.07 0.15 0.16 -0.04 2.98 3.18 3gvhC1 TYR 246 HD2 -0.39 -0.03 -0.01 -0.04 7.15 6.68 3gvhC1 TYR 246 HE2 -0.05 0.01 -0.07 -0.04 6.85 6.70 3gvhC1 LEU 247 H 0.13 0.62 0.01 -0.55 8.37 8.58 3gvhC1 LEU 247 HA -0.09 0.05 0.23 -0.75 4.35 3.79 3gvhC1 LEU 247 HB2 0.06 -0.01 0.13 -0.04 1.64 1.78 3gvhC1 LEU 247 HB3 0.03 0.02 0.03 -0.04 1.64 1.68 3gvhC1 LEU 247 HG 0.26 0.06 0.06 -0.04 1.64 1.98 3gvhC1 LEU 247 HD13 0.09 -0.01 -0.11 -0.04 0.93 0.86 3gvhC1 LEU 247 HD23 0.14 -0.01 -0.00 -0.04 0.89 0.98 3gvhC1 LYS 248 H -0.02 0.51 -0.22 -0.55 8.42 8.13 3gvhC1 LYS 248 HA -0.04 0.16 0.73 -0.75 4.32 4.41 3gvhC1 LYS 248 HB2 -0.01 0.05 0.05 -0.04 1.87 1.92 3gvhC1 LYS 248 HB3 -0.02 -0.05 0.12 -0.04 1.79 1.80 3gvhC1 LYS 248 HG2 -0.01 0.03 -0.03 -0.04 1.46 1.41 3gvhC1 LYS 248 HG3 0.00 -0.01 -0.03 -0.04 1.46 1.38 3gvhC1 LYS 248 HD2 0.01 -0.05 -0.03 -0.04 1.69 1.57 3gvhC1 LYS 248 HD3 -0.00 -0.04 -0.01 -0.04 1.68 1.59 3gvhC1 LYS 248 HE2 0.00 0.03 -0.02 -0.04 2.99 2.97 3gvhC1 LYS 248 HE3 0.01 0.01 -0.03 -0.04 2.99 2.94 3gvhC1 ASP 249 H -0.13 0.44 -0.57 -0.55 8.40 7.59 3gvhC1 ASP 249 HA -0.12 -0.10 0.45 -0.75 4.63 4.11 3gvhC1 ASP 249 HB2 -0.13 0.07 0.06 -0.04 2.71 2.67 3gvhC1 ASP 249 HB3 -0.07 0.13 -0.02 -0.04 2.70 2.70 3gvhC1 LYS 250 H -0.04 0.36 -0.00 -0.55 8.42 8.18 3gvhC1 LYS 250 HA -0.02 0.15 0.44 -0.75 4.32 4.13 3gvhC1 LYS 250 HB2 -0.00 -0.07 0.13 -0.04 1.87 1.89 3gvhC1 LYS 250 HB3 -0.00 -0.06 -0.07 -0.04 1.79 1.62 3gvhC1 LYS 250 HG2 -0.01 0.01 -0.01 -0.04 1.46 1.41 3gvhC1 LYS 250 HG3 -0.01 0.08 -0.10 -0.04 1.46 1.39 3gvhC1 LYS 250 HD2 0.00 0.04 -0.10 -0.04 1.69 1.60 3gvhC1 LYS 250 HD3 0.01 -0.06 -0.12 -0.04 1.68 1.47 3gvhC1 LYS 250 HE2 0.01 -0.03 -0.05 -0.04 2.99 2.87 3gvhC1 LYS 250 HE3 0.01 -0.04 -0.05 -0.04 2.99 2.86 3gvhC1 LYS 251 H -0.02 0.28 0.04 -0.55 8.42 8.16 3gvhC1 LYS 251 HA -0.01 0.02 0.08 -0.75 4.32 3.66 3gvhC1 LYS 251 HB2 -0.01 0.18 0.16 -0.04 1.87 2.16 3gvhC1 LYS 251 HB3 -0.01 -0.10 0.06 -0.04 1.79 1.70 3gvhC1 LYS 251 HG2 -0.03 -0.09 -0.20 -0.04 1.46 1.10 3gvhC1 LYS 251 HG3 -0.03 0.22 -0.41 -0.04 1.46 1.20 3gvhC1 LYS 251 HD2 -0.02 -0.00 -0.06 -0.04 1.69 1.57 3gvhC1 LYS 251 HD3 -0.02 -0.06 -0.09 -0.04 1.68 1.47 3gvhC1 LYS 251 HE2 -0.03 0.11 -0.02 -0.04 2.99 3.01 3gvhC1 LYS 251 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.87 3gvhC1 ARG 252 H 0.01 0.10 -0.03 -0.55 8.46 7.98 3gvhC1 ARG 252 HA 0.01 0.12 0.63 -0.75 4.34 4.35 3gvhC1 ARG 252 HB2 0.03 -0.04 0.02 -0.04 1.90 1.86 3gvhC1 ARG 252 HB3 0.02 0.02 -0.11 -0.04 1.80 1.68 3gvhC1 ARG 252 HG2 0.01 0.08 -0.08 -0.04 1.67 1.64 3gvhC1 ARG 252 HG3 0.01 -0.01 -0.02 -0.04 1.67 1.61 3gvhC1 ARG 252 HD2 0.01 0.03 -0.04 -0.04 3.22 3.18 3gvhC1 ARG 252 HD3 0.02 -0.01 -0.05 -0.04 3.22 3.14 3gvhC1 VAL 253 H 0.01 0.16 0.13 -0.55 8.24 7.99 3gvhC1 VAL 253 HA 0.02 0.33 0.80 -0.75 4.13 4.53 3gvhC1 VAL 253 HB 0.01 -0.03 0.20 -0.04 2.12 2.26 3gvhC1 VAL 253 HG13 0.02 -0.02 -0.15 -0.04 0.97 0.78 3gvhC1 VAL 253 HG23 0.01 0.02 -0.04 -0.04 0.95 0.90 3gvhC1 LEU 254 H 0.02 0.71 0.29 -0.55 8.37 8.85 3gvhC1 LEU 254 HA 0.00 0.20 0.90 -0.75 4.35 4.70 3gvhC1 LEU 254 HB2 0.05 -0.00 -0.04 -0.04 1.64 1.60 3gvhC1 LEU 254 HB3 0.04 -0.03 -0.08 -0.04 1.64 1.52 3gvhC1 LEU 254 HG 0.03 -0.03 -0.49 -0.04 1.64 1.10 3gvhC1 LEU 254 HD13 0.06 0.00 -0.13 -0.04 0.93 0.82 3gvhC1 LEU 254 HD23 0.02 0.04 -0.14 -0.04 0.89 0.77 3gvhC1 PRO 255 HA -0.04 0.33 0.68 -0.51 4.44 4.89 3gvhC1 PRO 255 HB2 -0.04 -0.11 -0.05 -0.04 2.28 2.05 3gvhC1 PRO 255 HB3 -0.13 0.15 0.05 -0.04 2.02 2.05 3gvhC1 PRO 255 HG2 0.00 -0.22 -0.31 -0.04 2.03 1.47 3gvhC1 PRO 255 HG3 -0.04 0.09 -0.03 -0.04 2.03 2.01 3gvhC1 PRO 255 HD2 -0.00 0.07 0.18 -0.04 3.68 3.88 3gvhC1 PRO 255 HD3 -0.05 0.25 0.15 -0.04 3.65 3.96 3gvhC1 VAL 256 H 0.02 0.63 0.42 -0.55 8.24 8.77 3gvhC1 VAL 256 HA 0.04 -0.03 0.82 -0.75 4.13 4.20 3gvhC1 VAL 256 HB 0.07 0.12 -0.03 -0.04 2.12 2.23 3gvhC1 VAL 256 HG13 0.11 0.01 -0.22 -0.04 0.97 0.84 3gvhC1 VAL 256 HG23 0.08 -0.03 -0.35 -0.04 0.95 0.61 3gvhC1 ALA 257 H 0.06 0.62 0.29 -0.55 8.40 8.81 3gvhC1 ALA 257 HA 0.09 0.16 0.45 -0.75 4.34 4.28 3gvhC1 ALA 257 HB3 0.11 -0.05 -0.03 -0.04 1.41 1.40 3gvhC1 ALA 258 H 0.07 0.60 0.31 -0.55 8.40 8.83 3gvhC1 ALA 258 HA 0.05 0.24 0.85 -0.75 4.34 4.73 3gvhC1 ALA 258 HB3 0.04 0.02 -0.06 -0.04 1.41 1.36 3gvhC1 GLN 259 H -0.51 0.25 0.11 -0.55 8.47 7.77 3gvhC1 GLN 259 HA -0.60 0.16 0.67 -0.75 4.36 3.84 3gvhC1 GLN 259 HB2 -0.63 0.05 0.06 -0.04 2.15 1.58 3gvhC1 GLN 259 HB3 -0.18 -0.03 0.05 -0.04 2.02 1.82 3gvhC1 GLN 259 HG2 -0.07 0.10 -0.24 -0.04 2.40 2.15 3gvhC1 GLN 259 HG3 -0.08 -0.04 -0.10 -0.04 2.39 2.13 3gvhC1 GLN 259 HE21 0.04 0.04 -0.02 -0.04 6.97 7.00 3gvhC1 GLN 259 HE22 0.10 0.01 -0.07 -0.04 7.69 7.69 3gvhC1 LEU 260 H -0.07 0.54 0.30 -0.55 8.37 8.59 3gvhC1 LEU 260 HA 0.02 0.10 0.81 -0.75 4.35 4.53 3gvhC1 LEU 260 HB2 0.06 -0.03 -0.07 -0.04 1.64 1.56 3gvhC1 LEU 260 HB3 0.11 -0.00 0.06 -0.04 1.64 1.76 3gvhC1 LEU 260 HG 0.05 0.06 -0.02 -0.04 1.64 1.69 3gvhC1 LEU 260 HD13 0.24 0.01 -0.12 -0.04 0.93 1.01 3gvhC1 LEU 260 HD23 0.12 0.01 -0.23 -0.04 0.89 0.75 3gvhC1 SER 261 H 0.03 0.09 0.06 -0.55 8.46 8.09 3gvhC1 SER 261 HA 0.03 0.02 0.84 -0.75 4.49 4.63 3gvhC1 SER 261 HB2 0.02 0.03 0.20 -0.04 3.95 4.15 3gvhC1 SER 261 HB3 0.01 0.04 -0.11 -0.04 3.93 3.84 3gvhC1 GLY 262 H 0.05 0.94 0.10 -0.55 8.43 8.97 3gvhC1 GLY 262 HA2 0.03 0.00 0.16 -0.51 4.01 3.69 3gvhC1 GLY 262 HA3 0.01 0.21 0.83 -0.51 4.01 4.55 3gvhC1 GLN 263 H 0.03 0.03 -0.04 -0.55 8.47 7.94 3gvhC1 GLN 263 HA -0.11 0.07 0.39 -0.75 4.36 3.96 3gvhC1 GLN 263 HB2 0.11 -0.02 0.05 -0.04 2.15 2.25 3gvhC1 GLN 263 HB3 -0.17 0.05 -0.02 -0.04 2.02 1.83 3gvhC1 GLN 263 HG2 -0.04 0.12 -0.05 -0.04 2.40 2.39 3gvhC1 GLN 263 HG3 -0.06 0.02 0.01 -0.04 2.39 2.32 3gvhC1 GLN 263 HE21 0.01 0.05 0.01 -0.04 6.97 7.00 3gvhC1 GLN 263 HE22 -0.00 0.06 0.02 -0.04 7.69 7.73 3gvhC1 TYR 264 H -0.32 0.15 0.19 -0.55 8.29 7.76 3gvhC1 TYR 264 HA -0.04 0.03 0.36 -0.75 4.56 4.15 3gvhC1 TYR 264 HB2 0.15 0.17 -0.12 -0.04 3.06 3.22 3gvhC1 TYR 264 HB3 -0.02 -0.01 0.16 -0.04 2.98 3.06 3gvhC1 TYR 264 HD2 -0.17 0.01 -0.11 -0.04 7.15 6.83 3gvhC1 TYR 264 HE2 -0.09 0.07 0.01 -0.04 6.85 6.80 3gvhC1 GLY 265 H 0.06 0.39 -0.42 -0.55 8.43 7.92 3gvhC1 GLY 265 HA2 0.06 0.03 0.22 -0.51 4.01 3.80 3gvhC1 GLY 265 HA3 0.09 0.04 0.40 -0.51 4.01 4.04 3gvhC1 VAL 266 H 0.14 0.46 -0.42 -0.55 8.24 7.87 3gvhC1 VAL 266 HA 0.07 0.19 0.82 -0.75 4.13 4.45 3gvhC1 VAL 266 HB 0.15 -0.01 -0.06 -0.04 2.12 2.16 3gvhC1 VAL 266 HG13 0.03 -0.01 -0.20 -0.04 0.97 0.75 3gvhC1 VAL 266 HG23 0.16 0.03 -0.23 -0.04 0.95 0.87 3gvhC1 LYS 267 H 0.04 0.28 0.10 -0.55 8.42 8.28 3gvhC1 LYS 267 HA 0.04 0.10 0.78 -0.75 4.32 4.49 3gvhC1 LYS 267 HB2 0.04 0.03 -0.00 -0.04 1.87 1.90 3gvhC1 LYS 267 HB3 0.04 0.04 0.01 -0.04 1.79 1.84 3gvhC1 LYS 267 HG2 0.03 -0.05 -0.43 -0.04 1.46 0.97 3gvhC1 LYS 267 HG3 0.03 0.03 -0.22 -0.04 1.46 1.27 3gvhC1 LYS 267 HD2 0.03 0.02 -0.08 -0.04 1.69 1.62 3gvhC1 LYS 267 HD3 0.02 0.02 -0.11 -0.04 1.68 1.57 3gvhC1 LYS 267 HE2 0.02 -0.04 -0.16 -0.04 2.99 2.78 3gvhC1 LYS 267 HE3 0.02 -0.00 -0.08 -0.04 2.99 2.89 3gvhC1 ASP 268 H 0.05 0.28 0.25 -0.55 8.40 8.44 3gvhC1 ASP 268 HA 0.11 0.03 0.35 -0.75 4.63 4.37 3gvhC1 ASP 268 HB2 0.08 -0.05 -0.07 -0.04 2.71 2.63 3gvhC1 ASP 268 HB3 0.12 0.09 -0.06 -0.04 2.70 2.81 3gvhC1 MET 269 H 0.08 0.22 -0.13 -0.55 8.47 8.09 3gvhC1 MET 269 HA 0.23 0.12 0.60 -0.75 4.52 4.72 3gvhC1 MET 269 HB2 -0.01 0.18 -0.23 -0.04 2.15 2.05 3gvhC1 MET 269 HB3 0.00 -0.09 -0.16 -0.04 2.03 1.74 3gvhC1 MET 269 HG2 -0.09 0.05 -0.18 -0.04 2.63 2.37 3gvhC1 MET 269 HG3 -0.28 -0.02 0.07 -0.04 2.56 2.30 3gvhC1 MET 269 HE3 -0.05 0.02 -0.05 -0.04 2.10 1.97 3gvhC1 TYR 270 H 0.35 0.18 0.10 -0.55 8.29 8.37 3gvhC1 TYR 270 HA 0.09 0.36 0.80 -0.75 4.56 5.05 3gvhC1 TYR 270 HB2 0.15 0.07 0.14 -0.04 3.06 3.38 3gvhC1 TYR 270 HB3 0.06 -0.11 -0.15 -0.04 2.98 2.73 3gvhC1 TYR 270 HD2 0.21 -0.08 -0.40 -0.04 7.15 6.84 3gvhC1 TYR 270 HE2 0.03 0.19 -0.03 -0.04 6.85 7.00 3gvhC1 VAL 271 H 0.03 0.67 0.31 -0.55 8.24 8.70 3gvhC1 VAL 271 HA -0.01 0.04 0.64 -0.75 4.13 4.05 3gvhC1 VAL 271 HB 0.05 0.04 -0.06 -0.04 2.12 2.11 3gvhC1 VAL 271 HG13 -0.17 0.02 -0.01 -0.04 0.97 0.76 3gvhC1 VAL 271 HG23 -0.05 0.02 -0.34 -0.04 0.95 0.54 3gvhC1 GLY 272 H -0.03 0.05 0.06 -0.55 8.43 7.97 3gvhC1 GLY 272 HA2 0.02 0.20 0.44 -0.51 4.01 4.16 3gvhC1 GLY 272 HA3 -0.01 0.28 0.32 -0.51 4.01 4.08 3gvhC1 VAL 273 H 0.03 0.61 0.49 -0.55 8.24 8.82 3gvhC1 VAL 273 HA 0.00 0.11 0.87 -0.75 4.13 4.35 3gvhC1 VAL 273 HB 0.15 0.12 0.05 -0.04 2.12 2.40 3gvhC1 VAL 273 HG13 0.06 -0.04 -0.29 -0.04 0.97 0.65 3gvhC1 VAL 273 HG23 0.08 0.03 -0.07 -0.04 0.95 0.95 3gvhC1 PRO 274 HA -0.05 0.13 0.64 -0.51 4.44 4.65 3gvhC1 PRO 274 HB2 0.04 0.02 -0.03 -0.04 2.28 2.27 3gvhC1 PRO 274 HB3 -0.17 0.03 0.02 -0.04 2.02 1.85 3gvhC1 PRO 274 HG2 0.18 0.09 0.18 -0.04 2.03 2.44 3gvhC1 PRO 274 HG3 0.18 -0.01 0.05 -0.04 2.03 2.21 3gvhC1 PRO 274 HD2 0.15 0.16 0.28 -0.04 3.68 4.23 3gvhC1 PRO 274 HD3 -0.03 0.09 0.17 -0.04 3.65 3.83 3gvhC1 THR 275 H 0.02 0.68 0.39 -0.55 8.28 8.83 3gvhC1 THR 275 HA 0.05 0.23 1.02 -0.75 4.39 4.93 3gvhC1 THR 275 HB 0.07 0.04 0.03 -0.04 4.32 4.43 3gvhC1 THR 275 HG23 0.07 0.01 -0.12 -0.04 1.22 1.14 3gvhC1 VAL 276 H 0.04 0.49 0.31 -0.55 8.24 8.53 3gvhC1 VAL 276 HA 0.02 0.38 0.88 -0.75 4.13 4.66 3gvhC1 VAL 276 HB 0.02 -0.14 0.16 -0.04 2.12 2.12 3gvhC1 VAL 276 HG13 0.01 0.04 -0.18 -0.04 0.97 0.79 3gvhC1 VAL 276 HG23 0.02 0.00 -0.16 -0.04 0.95 0.77 3gvhC1 ILE 277 H 0.03 0.58 0.14 -0.55 8.25 8.45 3gvhC1 ILE 277 HA 0.03 0.33 0.96 -0.75 4.18 4.74 3gvhC1 ILE 277 HB 0.05 -0.08 0.10 -0.04 1.89 1.91 3gvhC1 ILE 277 HG12 0.08 -0.01 -0.17 -0.04 1.49 1.35 3gvhC1 ILE 277 HG13 0.15 -0.05 -0.10 -0.04 1.21 1.17 3gvhC1 ILE 277 HG23 -0.03 0.03 -0.24 -0.04 0.93 0.66 3gvhC1 ILE 277 HD13 0.18 0.01 -0.23 -0.04 0.88 0.80 3gvhC1 GLY 278 H -0.03 0.60 0.27 -0.55 8.43 8.73 3gvhC1 GLY 278 HA2 -0.07 0.19 0.83 -0.51 4.01 4.44 3gvhC1 GLY 278 HA3 -0.06 -0.00 0.32 -0.51 4.01 3.76 3gvhC1 ALA 279 H -0.15 0.15 0.23 -0.55 8.40 8.08 3gvhC1 ALA 279 HA -0.66 0.24 0.47 -0.75 4.34 3.64 3gvhC1 ALA 279 HB3 -0.19 0.01 0.14 -0.04 1.41 1.33 3gvhC1 ASN 280 H -0.05 -0.04 -0.40 -0.55 8.53 7.49 3gvhC1 ASN 280 HA 0.12 0.33 1.04 -0.75 4.76 5.50 3gvhC1 ASN 280 HB2 0.00 -0.09 -0.00 -0.04 2.88 2.75 3gvhC1 ASN 280 HB3 0.06 0.02 0.02 -0.04 2.79 2.85 3gvhC1 ASN 280 HD21 0.01 0.00 -0.04 -0.04 7.03 6.97 3gvhC1 ASN 280 HD22 -0.01 -0.07 -0.09 -0.04 7.74 7.52 3gvhC1 GLY 281 H 0.04 0.62 -0.04 -0.55 8.43 8.51 3gvhC1 GLY 281 HA2 -0.39 -0.03 0.33 -0.51 4.01 3.41 3gvhC1 GLY 281 HA3 0.19 0.34 0.75 -0.51 4.01 4.77 3gvhC1 VAL 282 H 0.26 0.67 0.29 -0.55 8.24 8.91 3gvhC1 VAL 282 HA 0.11 0.05 0.63 -0.75 4.13 4.16 3gvhC1 VAL 282 HB 0.18 0.00 0.26 -0.04 2.12 2.52 3gvhC1 VAL 282 HG13 0.08 -0.02 -0.16 -0.04 0.97 0.82 3gvhC1 VAL 282 HG23 0.20 0.00 -0.02 -0.04 0.95 1.10 3gvhC1 GLU 283 H 0.04 0.61 0.39 -0.55 8.60 9.10 3gvhC1 GLU 283 HA -0.00 0.16 0.60 -0.75 4.29 4.30 3gvhC1 GLU 283 HB2 0.00 0.02 0.01 -0.04 2.09 2.09 3gvhC1 GLU 283 HB3 -0.01 -0.03 -0.02 -0.04 1.99 1.89 3gvhC1 GLU 283 HG2 0.00 0.06 -0.23 -0.04 2.34 2.13 3gvhC1 GLU 283 HG3 0.01 0.19 -0.25 -0.04 2.34 2.25 3gvhC1 ARG 284 H 0.03 0.23 0.20 -0.55 8.46 8.37 3gvhC1 ARG 284 HA 0.01 0.15 0.50 -0.75 4.34 4.25 3gvhC1 ARG 284 HB2 0.01 -0.07 0.01 -0.04 1.90 1.82 3gvhC1 ARG 284 HB3 0.02 0.01 -0.12 -0.04 1.80 1.66 3gvhC1 ARG 284 HG2 -0.00 0.01 0.07 -0.04 1.67 1.70 3gvhC1 ARG 284 HG3 -0.00 0.18 -0.25 -0.04 1.67 1.55 3gvhC1 ARG 284 HD2 0.00 -0.04 -0.08 -0.04 3.22 3.06 3gvhC1 ARG 284 HD3 -0.00 0.00 -0.04 -0.04 3.22 3.13 3gvhC1 ILE 285 H 0.02 0.22 0.09 -0.55 8.25 8.04 3gvhC1 ILE 285 HA 0.06 0.23 0.98 -0.75 4.18 4.70 3gvhC1 ILE 285 HB 0.04 -0.06 0.10 -0.04 1.89 1.93 3gvhC1 ILE 285 HG12 0.06 0.02 -0.08 -0.04 1.49 1.46 3gvhC1 ILE 285 HG13 0.05 -0.04 -0.31 -0.04 1.21 0.87 3gvhC1 ILE 285 HG23 0.14 0.00 -0.23 -0.04 0.93 0.80 3gvhC1 ILE 285 HD13 0.03 -0.01 -0.06 -0.04 0.88 0.80 3gvhC1 ILE 286 H 0.09 0.87 0.25 -0.55 8.25 8.91 3gvhC1 ILE 286 HA 0.04 0.06 0.49 -0.75 4.18 4.02 3gvhC1 ILE 286 HB 0.12 0.04 0.08 -0.04 1.89 2.09 3gvhC1 ILE 286 HG12 0.04 0.01 -0.14 -0.04 1.49 1.35 3gvhC1 ILE 286 HG13 0.05 -0.01 -0.26 -0.04 1.21 0.94 3gvhC1 ILE 286 HG23 0.10 -0.03 -0.21 -0.04 0.93 0.75 3gvhC1 ILE 286 HD13 0.05 -0.00 -0.17 -0.04 0.88 0.71 3gvhC1 GLU 287 H -0.02 0.21 0.14 -0.55 8.60 8.38 3gvhC1 GLU 287 HA -0.34 0.12 0.88 -0.75 4.29 4.19 3gvhC1 GLU 287 HB2 -0.21 0.05 0.02 -0.04 2.09 1.90 3gvhC1 GLU 287 HB3 -0.15 0.02 0.22 -0.04 1.99 2.03 3gvhC1 GLU 287 HG2 -0.35 0.07 -0.06 -0.04 2.34 1.97 3gvhC1 GLU 287 HG3 -1.05 -0.02 0.08 -0.04 2.34 1.31 3gvhC1 ILE 288 H 0.22 0.16 0.05 -0.55 8.25 8.13 3gvhC1 ILE 288 HA 0.06 0.17 0.59 -0.75 4.18 4.26 3gvhC1 ILE 288 HB 0.19 -0.02 -0.01 -0.04 1.89 2.01 3gvhC1 ILE 288 HG12 0.38 0.04 -0.02 -0.04 1.49 1.85 3gvhC1 ILE 288 HG13 0.18 -0.06 -0.35 -0.04 1.21 0.93 3gvhC1 ILE 288 HG23 0.24 0.02 -0.10 -0.04 0.93 1.05 3gvhC1 ILE 288 HD13 0.03 0.01 -0.13 -0.04 0.88 0.74 3gvhC1 ASP 289 H 0.06 0.16 0.09 -0.55 8.40 8.16 3gvhC1 ASP 289 HA -0.01 0.13 0.68 -0.75 4.63 4.67 3gvhC1 ASP 289 HB2 0.02 -0.03 0.18 -0.04 2.71 2.84 3gvhC1 ASP 289 HB3 -0.01 0.03 0.01 -0.04 2.70 2.69 3gvhC1 LEU 290 H -0.00 0.24 0.14 -0.55 8.37 8.21 3gvhC1 LEU 290 HA -0.07 0.04 0.58 -0.75 4.35 4.14 3gvhC1 LEU 290 HB2 -0.01 0.02 0.08 -0.04 1.64 1.69 3gvhC1 LEU 290 HB3 -0.03 -0.06 -0.02 -0.04 1.64 1.49 3gvhC1 LEU 290 HG 0.06 0.10 -0.06 -0.04 1.64 1.71 3gvhC1 LEU 290 HD13 -0.26 0.01 -0.08 -0.04 0.93 0.57 3gvhC1 LEU 290 HD23 -0.05 -0.01 -0.12 -0.04 0.89 0.66 3gvhC1 ASP 291 H -0.08 0.08 0.17 -0.55 8.40 8.03 3gvhC1 ASP 291 HA -0.03 0.26 0.76 -0.75 4.63 4.87 3gvhC1 ASP 291 HB2 -0.03 -0.01 0.20 -0.04 2.71 2.83 3gvhC1 ASP 291 HB3 -0.06 0.14 0.14 -0.04 2.70 2.88 3gvhC1 LYS 292 H -0.01 0.21 0.16 -0.55 8.42 8.22 3gvhC1 LYS 292 HA 0.01 0.15 0.18 -0.75 4.32 3.90 3gvhC1 LYS 292 HB2 -0.00 -0.01 0.16 -0.04 1.87 1.97 3gvhC1 LYS 292 HB3 0.00 0.06 0.01 -0.04 1.79 1.82 3gvhC1 LYS 292 HG2 0.01 0.05 0.03 -0.04 1.46 1.51 3gvhC1 LYS 292 HG3 0.00 0.01 0.02 -0.04 1.46 1.46 3gvhC1 LYS 292 HD2 -0.00 -0.03 0.06 -0.04 1.69 1.68 3gvhC1 LYS 292 HD3 0.00 0.02 0.03 -0.04 1.68 1.69 3gvhC1 LYS 292 HE2 0.00 0.02 0.01 -0.04 2.99 2.98 3gvhC1 LYS 292 HE3 -0.00 0.01 0.01 -0.04 2.99 2.97 3gvhC1 ASP 293 H -0.01 0.06 -0.12 -0.55 8.40 7.79 3gvhC1 ASP 293 HA 0.01 0.15 0.50 -0.75 4.63 4.53 3gvhC1 ASP 293 HB2 -0.00 0.05 0.08 -0.04 2.71 2.80 3gvhC1 ASP 293 HB3 -0.01 -0.05 0.08 -0.04 2.70 2.69 3gvhC1 GLU 294 H -0.01 0.03 -0.24 -0.55 8.60 7.83 3gvhC1 GLU 294 HA 0.03 0.11 0.49 -0.75 4.29 4.17 3gvhC1 GLU 294 HB2 -0.03 0.03 0.14 -0.04 2.09 2.18 3gvhC1 GLU 294 HB3 -0.02 0.07 0.02 -0.04 1.99 2.03 3gvhC1 GLU 294 HG2 -0.03 0.10 0.04 -0.04 2.34 2.41 3gvhC1 GLU 294 HG3 -0.04 -0.10 0.04 -0.04 2.34 2.20 3gvhC1 LYS 295 H 0.02 0.64 -0.13 -0.55 8.42 8.39 3gvhC1 LYS 295 HA 0.08 0.03 0.40 -0.75 4.32 4.08 3gvhC1 LYS 295 HB2 0.02 0.03 -0.02 -0.04 1.87 1.86 3gvhC1 LYS 295 HB3 0.03 0.08 0.06 -0.04 1.79 1.92 3gvhC1 LYS 295 HG2 0.04 0.01 -0.05 -0.04 1.46 1.43 3gvhC1 LYS 295 HG3 0.07 0.01 -0.17 -0.04 1.46 1.32 3gvhC1 LYS 295 HD2 0.17 -0.08 0.09 -0.04 1.69 1.83 3gvhC1 LYS 295 HD3 0.06 -0.02 0.02 -0.04 1.68 1.70 3gvhC1 LYS 295 HE2 0.07 -0.01 -0.05 -0.04 2.99 2.96 3gvhC1 LYS 295 HE3 0.09 -0.01 -0.04 -0.04 2.99 2.99 3gvhC1 ALA 296 H 0.04 0.40 -0.23 -0.55 8.40 8.06 3gvhC1 ALA 296 HA 0.05 0.04 0.43 -0.75 4.34 4.11 3gvhC1 ALA 296 HB3 0.02 0.02 0.10 -0.04 1.41 1.51 3gvhC1 GLN 297 H 0.05 0.52 -0.10 -0.55 8.47 8.40 3gvhC1 GLN 297 HA 0.03 0.02 0.48 -0.75 4.36 4.13 3gvhC1 GLN 297 HB2 0.07 0.08 0.25 -0.04 2.15 2.50 3gvhC1 GLN 297 HB3 0.06 0.02 0.03 -0.04 2.02 2.08 3gvhC1 GLN 297 HG2 0.02 -0.00 0.07 -0.04 2.40 2.45 3gvhC1 GLN 297 HG3 0.03 0.03 0.10 -0.04 2.39 2.51 3gvhC1 GLN 297 HE21 0.01 -0.09 -0.09 -0.04 6.97 6.76 3gvhC1 GLN 297 HE22 0.02 0.01 -0.11 -0.04 7.69 7.57 3gvhC1 PHE 298 H 0.20 0.67 -0.09 -0.55 8.34 8.56 3gvhC1 PHE 298 HA -0.03 -0.01 0.37 -0.75 4.62 4.20 3gvhC1 PHE 298 HB2 -0.03 0.01 0.10 -0.04 3.15 3.18 3gvhC1 PHE 298 HB3 -0.01 0.11 0.18 -0.04 3.06 3.29 3gvhC1 PHE 298 HD2 -0.06 0.03 -0.06 -0.04 7.28 7.15 3gvhC1 PHE 298 HE2 -0.14 0.10 0.00 -0.04 7.38 7.30 3gvhC1 PHE 298 HZ -0.27 0.01 -0.07 -0.04 7.32 6.95 3gvhC1 ASP 299 H 0.17 0.69 -0.04 -0.55 8.40 8.67 3gvhC1 ASP 299 HA -0.02 0.02 0.46 -0.75 4.63 4.33 3gvhC1 ASP 299 HB2 0.06 0.06 0.17 -0.04 2.71 2.96 3gvhC1 ASP 299 HB3 0.03 -0.05 0.02 -0.04 2.70 2.66 3gvhC1 LYS 300 H -0.00 0.63 -0.17 -0.55 8.42 8.33 3gvhC1 LYS 300 HA -0.03 -0.01 0.51 -0.75 4.32 4.03 3gvhC1 SER 301 H -0.09 0.57 -0.10 -0.55 8.46 8.29 3gvhC1 SER 301 HA -0.10 -0.04 0.40 -0.75 4.49 4.00 3gvhC1 SER 301 HB2 -0.08 0.10 0.08 -0.04 3.95 4.01 3gvhC1 SER 301 HB3 -0.23 0.08 0.20 -0.04 3.93 3.95 3gvhC1 VAL 302 H -0.32 0.79 0.02 -0.55 8.24 8.18 3gvhC1 VAL 302 HA -0.24 -0.04 0.51 -0.75 4.13 3.60 3gvhC1 VAL 302 HB -0.21 0.11 0.16 -0.04 2.12 2.14 3gvhC1 VAL 302 HG13 -0.09 -0.01 -0.14 -0.04 0.97 0.69 3gvhC1 VAL 302 HG23 -0.67 0.03 -0.00 -0.04 0.95 0.27 3gvhC1 ALA 303 H -0.11 0.59 -0.30 -0.55 8.40 8.03 3gvhC1 ALA 303 HA -0.07 -0.00 0.40 -0.75 4.34 3.91 3gvhC1 ALA 303 HB3 -0.05 0.04 0.16 -0.04 1.41 1.52 3gvhC1 SER 304 H -0.08 0.53 -0.08 -0.55 8.46 8.28 3gvhC1 SER 304 HA -0.06 0.01 0.43 -0.75 4.49 4.11 3gvhC1 SER 304 HB2 -0.05 -0.08 0.10 -0.04 3.95 3.89 3gvhC1 SER 304 HB3 -0.06 0.13 0.14 -0.04 3.93 4.10 3gvhC1 VAL 305 H -0.12 0.44 -0.25 -0.55 8.24 7.76 3gvhC1 VAL 305 HA -0.12 -0.04 0.62 -0.75 4.13 3.83 3gvhC1 VAL 305 HB -0.15 0.16 0.17 -0.04 2.12 2.26 3gvhC1 VAL 305 HG13 -0.17 0.03 -0.13 -0.04 0.97 0.66 3gvhC1 VAL 305 HG23 -0.11 0.00 0.06 -0.04 0.95 0.86 3gvhC1 ALA 306 H -0.14 0.71 0.04 -0.55 8.40 8.46 3gvhC1 ALA 306 HA -0.25 0.03 0.53 -0.75 4.34 3.90 3gvhC1 ALA 306 HB3 -0.11 0.04 0.13 -0.04 1.41 1.44 3gvhC1 GLY 307 H -0.10 0.65 -0.12 -0.55 8.43 8.31 3gvhC1 GLY 307 HA2 -0.07 0.00 0.40 -0.51 4.01 3.83 3gvhC1 GLY 307 HA3 -0.07 0.07 0.30 -0.51 4.01 3.80 3gvhC1 LEU 308 H -0.11 0.41 -0.17 -0.55 8.37 7.94 3gvhC1 LEU 308 HA -0.07 -0.02 0.50 -0.75 4.35 4.01 3gvhC1 LEU 308 HB2 -0.12 0.16 0.21 -0.04 1.64 1.85 3gvhC1 LEU 308 HB3 -0.09 -0.07 0.01 -0.04 1.64 1.46 3gvhC1 LEU 308 HG -0.06 0.13 0.10 -0.04 1.64 1.77 3gvhC1 LEU 308 HD13 -0.04 -0.03 0.02 -0.04 0.93 0.84 3gvhC1 LEU 308 HD23 -0.02 -0.01 0.04 -0.04 0.89 0.85 3gvhC1 CYS 309 H -0.30 0.50 -0.15 -0.55 8.50 8.00 3gvhC1 CYS 309 HA -0.48 -0.01 0.42 -0.75 4.58 3.75 3gvhC1 CYS 309 HB2 -0.60 0.11 0.22 -0.04 2.97 2.66 3gvhC1 CYS 309 HB3 -1.41 0.03 0.06 -0.04 2.97 1.61 3gvhC1 GLU 310 H -0.17 0.62 -0.09 -0.55 8.60 8.42 3gvhC1 GLU 310 HA -0.02 0.04 0.49 -0.75 4.29 4.05 3gvhC1 GLU 310 HB2 -0.07 0.14 0.19 -0.04 2.09 2.30 3gvhC1 GLU 310 HB3 -0.03 -0.05 0.00 -0.04 1.99 1.87 3gvhC1 GLU 310 HG2 -0.02 -0.03 0.01 -0.04 2.34 2.26 3gvhC1 GLU 310 HG3 -0.03 0.00 0.04 -0.04 2.34 2.31 3gvhC1 ALA 311 H -0.05 0.53 -0.03 -0.55 8.40 8.31 3gvhC1 ALA 311 HA 0.01 -0.02 0.41 -0.75 4.34 3.98 3gvhC1 ALA 311 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 3gvhC1 CYS 312 H -0.00 0.48 -0.34 -0.55 8.50 8.08 3gvhC1 CYS 312 HA 0.10 -0.06 0.32 -0.75 4.58 4.19 3gvhC1 CYS 312 HB2 0.16 0.17 0.22 -0.04 2.97 3.48 3gvhC1 CYS 312 HB3 0.32 -0.01 -0.02 -0.04 2.97 3.22 3gvhC1 ILE 313 H 0.13 0.61 0.02 -0.55 8.25 8.46 3gvhC1 ILE 313 HA 0.14 0.12 0.33 -0.75 4.18 4.02 3gvhC1 ILE 313 HB 0.08 0.03 0.13 -0.04 1.89 2.09 3gvhC1 ILE 313 HG12 0.34 -0.01 0.04 -0.04 1.49 1.82 3gvhC1 ILE 313 HG13 0.21 0.27 0.09 -0.04 1.21 1.73 3gvhC1 ILE 313 HG23 0.08 -0.02 -0.07 -0.04 0.93 0.88 3gvhC1 ILE 313 HD13 0.18 -0.02 -0.01 -0.04 0.88 0.98 3gvhC1 GLY 314 H 0.05 0.63 -0.16 -0.55 8.43 8.40 3gvhC1 GLY 314 HA2 0.04 -0.05 0.40 -0.51 4.01 3.89 3gvhC1 GLY 314 HA3 0.03 -0.02 0.29 -0.51 4.01 3.80 3gvhC1 ILE 315 H 0.06 0.48 -0.16 -0.55 8.25 8.08 3gvhC1 ILE 315 HA 0.04 0.01 0.47 -0.75 4.18 3.94 3gvhC1 ILE 315 HB 0.07 0.11 0.04 -0.04 1.89 2.07 3gvhC1 ILE 315 HG12 0.03 -0.06 -0.01 -0.04 1.49 1.41 3gvhC1 ILE 315 HG13 0.04 0.14 0.02 -0.04 1.21 1.37 3gvhC1 ILE 315 HG23 0.05 -0.04 -0.00 -0.04 0.93 0.90 3gvhC1 ILE 315 HD13 0.04 -0.06 -0.07 -0.04 0.88 0.75 3gvhC1 ALA 316 H 0.09 0.36 -0.49 -0.55 8.40 7.80 3gvhC1 ALA 316 HA 0.08 0.06 0.72 -0.75 4.34 4.45 3gvhC1 ALA 316 HB3 0.18 -0.00 -0.05 -0.04 1.41 1.50 3gvhC1 PRO 317 HA 0.06 0.14 0.35 -0.51 4.44 4.47 3gvhC1 PRO 317 HB2 0.03 -0.00 -0.08 -0.04 2.28 2.18 3gvhC1 PRO 317 HB3 0.04 0.05 0.08 -0.04 2.02 2.14 3gvhC1 PRO 317 HG2 0.04 -0.07 0.07 -0.04 2.03 2.02 3gvhC1 PRO 317 HG3 0.03 0.04 0.05 -0.04 2.03 2.11 3gvhC1 PRO 317 HD2 0.05 0.09 0.13 -0.04 3.68 3.90 3gvhC1 PRO 317 HD3 0.05 0.29 -0.05 -0.04 3.65 3.90 3gvhC1 SER 318 H 0.05 0.09 -0.12 -0.55 8.46 7.94 3gvhC1 SER 318 HA 0.03 0.01 0.43 -0.75 4.49 4.21 3gvhC1 SER 318 HB2 0.09 -0.04 0.01 -0.04 3.95 3.97 3gvhC1 SER 318 HB3 0.17 0.03 -0.15 -0.04 3.93 3.94 3gvhC1 LEU 319 H 0.01 0.46 -0.40 -0.55 8.37 7.90 3gvhC1 LEU 319 HA -0.22 0.09 0.42 -0.75 4.35 3.88 3gvhC1 LEU 319 HB2 0.04 0.07 0.03 -0.04 1.64 1.74 3gvhC1 LEU 319 HB3 -0.36 -0.06 0.02 -0.04 1.64 1.21 3gvhC1 LEU 319 HG -0.19 -0.03 -0.07 -0.04 1.64 1.31 3gvhC1 LEU 319 HD13 0.03 0.01 -0.09 -0.04 0.93 0.83 3gvhC1 LEU 319 HD23 -1.22 -0.01 -0.05 -0.04 0.89 -0.42