============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 4 1.040 10.129 12.025 10.050 -99.200 -91.000 TRP6 4 1.020 7.844 11.567 9.628 -99.200 -91.000 TYR 13 0.840 7.881 11.677 4.746 -99.200 -91.000 PHE 16 1.000 12.100 7.553 8.044 -99.200 -91.000 PHE 24 1.000 13.417 -1.561 3.245 -99.200 -91.000 PHE 45 1.000 13.228 -9.711 9.968 -99.200 -91.000 PHE 54 1.000 3.689 16.482 20.294 -99.200 -91.000 PHE 63 1.000 8.986 -0.970 7.793 -99.200 -91.000 TYR 69 0.840 4.067 -8.152 5.169 -99.200 -91.000 PHE 73 1.000 4.272 -2.028 18.194 -99.200 -91.000 PHE 87 1.000 9.012 -10.321 16.582 -99.200 -91.000 PHE 88 1.000 1.900 -6.242 12.677 -99.200 -91.000 TYR 92 0.840 4.934 -14.884 19.797 -99.200 -91.000 TYR 99 0.840 13.952 -11.507 22.539 -99.200 -91.000 PHE 103 1.000 11.673 -5.373 17.056 -99.200 -91.000 TYR 119 0.840 -1.494 -2.974 2.812 -99.200 -91.000 PHE 144 1.000 5.246 6.985 19.133 -99.200 -91.000 TYR 148 0.840 6.551 4.789 24.625 -99.200 -91.000 PHE 152 1.000 1.134 -3.097 22.709 -99.200 -91.000 PHE 160 1.000 2.649 2.832 15.510 -99.200 -91.000 PHE 174 1.000 4.588 2.598 -5.640 -99.200 -91.000 TYR 176 0.840 1.529 10.549 -7.839 -99.200 -91.000 TYR 187 0.840 3.379 22.706 7.879 -99.200 -91.000 PHE 190 1.000 -2.067 12.250 2.182 -99.200 -91.000 TRP 203 1.040 7.627 -1.706 -5.162 -99.200 -91.000 TRP6 203 1.020 8.449 -3.109 -3.444 -99.200 -91.000 TYR 210 0.840 11.699 2.532 -13.016 -99.200 -91.000 HIS 211 0.900 15.271 -5.304 -11.758 -99.200 -91.000 PHE 221 1.000 -1.058 2.439 -11.955 -99.200 -91.000 TYR 233 0.840 12.431 -10.337 -4.881 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g5xA1 ARG 1 HA 0.05 0.01 0.22 -0.75 4.34 3.86 2g5xA1 ARG 1 HB2 0.06 -0.05 0.01 -0.04 1.90 1.89 2g5xA1 ARG 1 HB3 0.08 -0.08 -0.04 -0.04 1.80 1.72 2g5xA1 ARG 1 HG2 0.13 0.20 -0.27 -0.04 1.67 1.68 2g5xA1 ARG 1 HG3 0.09 0.05 -0.04 -0.04 1.67 1.72 2g5xA1 ARG 1 HD2 0.11 -0.04 -0.16 -0.04 3.22 3.09 2g5xA1 ARG 1 HD3 0.14 -0.09 -0.30 -0.04 3.22 2.93 2g5xA1 PRO 2 HA 0.16 -0.00 0.48 -0.51 4.44 4.57 2g5xA1 PRO 2 HB2 0.19 -0.04 0.12 -0.04 2.28 2.50 2g5xA1 PRO 2 HB3 -0.00 0.03 0.06 -0.04 2.02 2.07 2g5xA1 PRO 2 HG2 -0.09 0.02 0.03 -0.04 2.03 1.94 2g5xA1 PRO 2 HG3 -0.04 0.05 -0.09 -0.04 2.03 1.90 2g5xA1 PRO 2 HD2 0.05 0.38 0.29 -0.04 3.68 4.37 2g5xA1 PRO 2 HD3 0.01 0.09 0.18 -0.04 3.65 3.90 2g5xA1 SER 3 H 0.30 0.20 0.28 -0.55 8.46 8.70 2g5xA1 SER 3 HA 0.18 0.21 0.93 -0.75 4.49 5.05 2g5xA1 SER 3 HB2 0.12 0.13 -0.16 -0.04 3.95 4.00 2g5xA1 SER 3 HB3 0.11 -0.03 0.04 -0.04 3.93 4.02 2g5xA1 TRP 4 H -0.01 0.68 0.27 -0.55 7.97 8.37 2g5xA1 TRP 4 HA -0.19 0.13 0.85 -0.75 4.62 4.66 2g5xA1 TRP 4 HB2 -1.63 0.05 -0.12 -0.04 3.23 1.49 2g5xA1 TRP 4 HB3 -0.78 -0.02 0.07 -0.04 3.23 2.46 2g5xA1 TRP 4 HD1 -0.06 -0.02 -0.03 -0.04 7.22 7.07 2g5xA1 TRP 4 HE1 0.03 -0.03 -0.01 -0.04 10.20 10.15 2g5xA1 TRP 4 HE3 -0.14 0.01 -0.09 -0.04 7.59 7.33 2g5xA1 TRP 4 HZ2 -0.12 0.15 0.07 -0.04 7.44 7.50 2g5xA1 TRP 4 HZ3 0.05 -0.02 -0.09 -0.04 7.13 7.04 2g5xA1 TRP 4 HH2 -0.17 -0.03 -0.05 -0.04 7.19 6.90 2g5xA1 THR 5 H -0.11 0.18 0.07 -0.55 8.28 7.87 2g5xA1 THR 5 HA -0.36 0.18 0.74 -0.75 4.39 4.20 2g5xA1 THR 5 HB -0.20 -0.07 0.14 -0.04 4.32 4.15 2g5xA1 THR 5 HG23 -0.30 0.01 -0.23 -0.04 1.22 0.66 2g5xA1 VAL 6 H -0.67 0.46 0.25 -0.55 8.24 7.73 2g5xA1 VAL 6 HA -2.22 0.01 0.38 -0.75 4.13 1.54 2g5xA1 VAL 6 HB -0.50 -0.03 0.20 -0.04 2.12 1.75 2g5xA1 VAL 6 HG13 -0.42 -0.02 -0.06 -0.04 0.97 0.43 2g5xA1 VAL 6 HG23 -0.45 0.02 0.01 -0.04 0.95 0.49 2g5xA1 ASP 7 H -0.69 0.31 0.42 -0.55 8.40 7.89 2g5xA1 ASP 7 HA -0.28 0.12 0.71 -0.75 4.63 4.43 2g5xA1 ASP 7 HB2 -0.33 0.08 -0.34 -0.04 2.71 2.07 2g5xA1 ASP 7 HB3 -0.15 -0.08 0.02 -0.04 2.70 2.45 2g5xA1 SER 8 H -0.17 0.16 0.15 -0.55 8.46 8.05 2g5xA1 SER 8 HA -0.18 0.18 0.58 -0.75 4.49 4.31 2g5xA1 SER 8 HB2 -1.19 -0.06 0.13 -0.04 3.95 2.80 2g5xA1 SER 8 HB3 -0.49 0.20 0.13 -0.04 3.93 3.74 2g5xA1 ASP 9 H 0.04 0.18 -0.53 -0.55 8.40 7.55 2g5xA1 ASP 9 HA 0.05 0.13 0.74 -0.75 4.63 4.80 2g5xA1 ASP 9 HB2 0.04 0.06 0.06 -0.04 2.71 2.83 2g5xA1 ASP 9 HB3 0.13 0.05 0.19 -0.04 2.70 3.02 2g5xA1 SER 10 H 0.08 0.30 0.20 -0.55 8.46 8.49 2g5xA1 SER 10 HA 0.13 0.11 0.40 -0.75 4.49 4.38 2g5xA1 SER 10 HB2 0.08 0.02 0.11 -0.04 3.95 4.13 2g5xA1 SER 10 HB3 0.06 0.12 0.16 -0.04 3.93 4.23 2g5xA1 ALA 11 H 0.08 0.09 -0.15 -0.55 8.40 7.87 2g5xA1 ALA 11 HA 0.05 0.13 0.47 -0.75 4.34 4.23 2g5xA1 ALA 11 HB3 0.05 0.02 0.07 -0.04 1.41 1.51 2g5xA1 LYS 12 H 0.13 0.11 -0.17 -0.55 8.42 7.93 2g5xA1 LYS 12 HA 0.11 0.09 0.45 -0.75 4.32 4.21 2g5xA1 LYS 12 HB2 0.27 0.11 0.14 -0.04 1.87 2.36 2g5xA1 LYS 12 HB3 0.29 0.04 0.07 -0.04 1.79 2.15 2g5xA1 LYS 12 HG2 0.10 -0.10 0.05 -0.04 1.46 1.47 2g5xA1 LYS 12 HG3 0.11 0.03 0.06 -0.04 1.46 1.61 2g5xA1 LYS 12 HD2 0.11 0.06 0.06 -0.04 1.69 1.87 2g5xA1 LYS 12 HD3 0.09 -0.02 -0.00 -0.04 1.68 1.71 2g5xA1 LYS 12 HE2 0.05 0.04 -0.00 -0.04 2.99 3.04 2g5xA1 LYS 12 HE3 0.05 -0.04 -0.01 -0.04 2.99 2.96 2g5xA1 TYR 13 H 0.19 0.26 -0.25 -0.55 8.29 7.95 2g5xA1 TYR 13 HA -0.92 0.06 0.46 -0.75 4.56 3.41 2g5xA1 TYR 13 HB2 -0.26 0.04 0.08 -0.04 3.06 2.88 2g5xA1 TYR 13 HB3 -0.14 0.07 0.17 -0.04 2.98 3.04 2g5xA1 TYR 13 HD2 -1.28 -0.02 -0.03 -0.04 7.15 5.78 2g5xA1 TYR 13 HE2 -0.27 0.07 0.00 -0.04 6.85 6.61 2g5xA1 SER 14 H 0.01 0.55 -0.07 -0.55 8.46 8.40 2g5xA1 SER 14 HA -0.31 0.05 0.44 -0.75 4.49 3.91 2g5xA1 SER 14 HB2 -0.02 0.07 0.19 -0.04 3.95 4.14 2g5xA1 SER 14 HB3 -0.07 -0.01 0.02 -0.04 3.93 3.83 2g5xA1 SER 15 H -0.02 0.47 -0.15 -0.55 8.46 8.21 2g5xA1 SER 15 HA -0.05 0.04 0.49 -0.75 4.49 4.22 2g5xA1 SER 15 HB2 0.05 0.00 0.12 -0.04 3.95 4.08 2g5xA1 SER 15 HB3 0.02 0.00 0.07 -0.04 3.93 3.97 2g5xA1 PHE 16 H 0.04 0.46 -0.22 -0.55 8.34 8.07 2g5xA1 PHE 16 HA -0.05 0.00 0.46 -0.75 4.62 4.28 2g5xA1 PHE 16 HB2 -0.01 0.07 0.16 -0.04 3.15 3.33 2g5xA1 PHE 16 HB3 -0.39 0.17 0.27 -0.04 3.06 3.07 2g5xA1 PHE 16 HD2 -0.29 0.02 -0.07 -0.04 7.28 6.90 2g5xA1 PHE 16 HE2 0.03 0.02 -0.20 -0.04 7.38 7.19 2g5xA1 PHE 16 HZ 0.15 -0.04 -0.15 -0.04 7.32 7.24 2g5xA1 LEU 17 H -0.37 0.49 -0.13 -0.55 8.37 7.81 2g5xA1 LEU 17 HA -0.72 0.01 0.40 -0.75 4.35 3.28 2g5xA1 LEU 17 HB2 -0.38 0.09 0.14 -0.04 1.64 1.44 2g5xA1 LEU 17 HB3 -0.34 0.02 -0.03 -0.04 1.64 1.25 2g5xA1 LEU 17 HG -0.88 0.15 0.05 -0.04 1.64 0.92 2g5xA1 LEU 17 HD13 -0.55 0.00 -0.12 -0.04 0.93 0.22 2g5xA1 LEU 17 HD23 -0.44 0.01 -0.02 -0.04 0.89 0.40 2g5xA1 ASP 18 H -0.20 0.44 -0.19 -0.55 8.40 7.91 2g5xA1 ASP 18 HA -0.14 0.07 0.48 -0.75 4.63 4.29 2g5xA1 ASP 18 HB2 -0.09 0.08 0.20 -0.04 2.71 2.86 2g5xA1 ASP 18 HB3 -0.08 -0.04 0.03 -0.04 2.70 2.57 2g5xA1 SER 19 H -0.15 0.52 -0.16 -0.55 8.46 8.12 2g5xA1 SER 19 HA -0.07 -0.00 0.42 -0.75 4.49 4.08 2g5xA1 SER 19 HB2 -0.02 0.00 0.13 -0.04 3.95 4.02 2g5xA1 SER 19 HB3 -0.08 0.00 0.24 -0.04 3.93 4.05 2g5xA1 LEU 20 H -0.36 0.54 -0.11 -0.55 8.37 7.90 2g5xA1 LEU 20 HA -0.26 0.01 0.44 -0.75 4.35 3.79 2g5xA1 LEU 20 HB2 -0.60 -0.02 0.07 -0.04 1.64 1.04 2g5xA1 LEU 20 HB3 -0.45 0.13 0.15 -0.04 1.64 1.43 2g5xA1 LEU 20 HG -0.01 0.02 -0.26 -0.04 1.64 1.35 2g5xA1 LEU 20 HD13 -0.41 -0.02 -0.05 -0.04 0.93 0.41 2g5xA1 LEU 20 HD23 -0.32 -0.01 -0.13 -0.04 0.89 0.39 2g5xA1 ARG 21 H -0.16 0.67 -0.07 -0.55 8.46 8.34 2g5xA1 ARG 21 HA 0.12 -0.02 0.36 -0.75 4.34 4.04 2g5xA1 ARG 21 HB2 -0.09 0.04 0.22 -0.04 1.90 2.04 2g5xA1 ARG 21 HB3 -0.04 0.05 0.07 -0.04 1.80 1.84 2g5xA1 ARG 21 HG2 -0.10 0.05 -0.09 -0.04 1.67 1.49 2g5xA1 ARG 21 HG3 -0.14 -0.06 0.07 -0.04 1.67 1.50 2g5xA1 ARG 21 HD2 -0.15 -0.10 -0.15 -0.04 3.22 2.78 2g5xA1 ARG 21 HD3 -0.11 0.09 0.09 -0.04 3.22 3.26 2g5xA1 GLU 22 H -0.07 0.54 -0.19 -0.55 8.60 8.33 2g5xA1 GLU 22 HA -0.02 -0.00 0.38 -0.75 4.29 3.90 2g5xA1 GLU 22 HB2 -0.05 0.15 0.15 -0.04 2.09 2.29 2g5xA1 GLU 22 HB3 -0.03 -0.09 0.01 -0.04 1.99 1.84 2g5xA1 GLU 22 HG2 -0.05 0.20 0.12 -0.04 2.34 2.56 2g5xA1 GLU 22 HG3 -0.04 -0.08 0.01 -0.04 2.34 2.19 2g5xA1 GLU 23 H -0.11 0.43 -0.23 -0.55 8.60 8.14 2g5xA1 GLU 23 HA -0.07 -0.01 0.46 -0.75 4.29 3.91 2g5xA1 GLU 23 HB2 -0.30 0.15 0.19 -0.04 2.09 2.09 2g5xA1 GLU 23 HB3 -0.21 -0.08 0.05 -0.04 1.99 1.71 2g5xA1 GLU 23 HG2 -0.10 0.24 0.11 -0.04 2.34 2.56 2g5xA1 GLU 23 HG3 -0.10 -0.04 0.07 -0.04 2.34 2.24 2g5xA1 PHE 24 H -0.05 0.44 -0.16 -0.55 8.34 8.02 2g5xA1 PHE 24 HA 0.01 -0.03 0.45 -0.75 4.62 4.29 2g5xA1 PHE 24 HB2 -0.04 0.17 0.07 -0.04 3.15 3.32 2g5xA1 PHE 24 HB3 0.03 -0.04 -0.07 -0.04 3.06 2.94 2g5xA1 PHE 24 HD2 -0.05 0.09 -0.03 -0.04 7.28 7.25 2g5xA1 PHE 24 HE2 -0.13 -0.04 -0.18 -0.04 7.38 6.99 2g5xA1 PHE 24 HZ -0.37 -0.09 -0.12 -0.04 7.32 6.70 2g5xA1 GLY 25 H 0.09 0.30 -0.36 -0.55 8.43 7.92 2g5xA1 GLY 25 HA2 0.08 0.38 0.67 -0.51 4.01 4.64 2g5xA1 GLY 25 HA3 0.05 -0.18 0.27 -0.51 4.01 3.64 2g5xA1 ARG 26 H 0.02 0.28 -0.22 -0.55 8.46 7.99 2g5xA1 ARG 26 HA 0.01 -0.03 0.44 -0.75 4.34 3.99 2g5xA1 ARG 26 HB2 -0.00 -0.12 0.08 -0.04 1.90 1.81 2g5xA1 ARG 26 HB3 -0.01 0.10 0.14 -0.04 1.80 1.99 2g5xA1 ARG 26 HG2 -0.00 0.28 0.12 -0.04 1.67 2.03 2g5xA1 ARG 26 HG3 0.00 -0.08 -0.14 -0.04 1.67 1.42 2g5xA1 ARG 26 HD2 -0.01 -0.08 0.00 -0.04 3.22 3.10 2g5xA1 ARG 26 HD3 -0.02 -0.00 0.07 -0.04 3.22 3.23 2g5xA1 GLY 27 H 0.00 0.08 0.13 -0.55 8.43 8.09 2g5xA1 GLY 27 HA2 0.00 -0.07 0.37 -0.51 4.01 3.80 2g5xA1 GLY 27 HA3 0.01 0.21 0.88 -0.51 4.01 4.60 2g5xA1 THR 28 H 0.01 0.51 -0.08 -0.55 8.28 8.18 2g5xA1 THR 28 HA 0.01 0.11 0.85 -0.75 4.39 4.60 2g5xA1 THR 28 HB 0.02 -0.03 0.10 -0.04 4.32 4.36 2g5xA1 THR 28 HG23 0.01 -0.02 -0.23 -0.04 1.22 0.94 2g5xA1 PRO 29 HA -0.00 -0.03 0.40 -0.51 4.44 4.30 2g5xA1 PRO 29 HB2 0.01 0.05 0.02 -0.04 2.28 2.32 2g5xA1 PRO 29 HB3 0.00 -0.01 0.13 -0.04 2.02 2.10 2g5xA1 PRO 29 HG2 0.01 0.01 0.09 -0.04 2.03 2.10 2g5xA1 PRO 29 HG3 0.00 0.01 0.09 -0.04 2.03 2.09 2g5xA1 PRO 29 HD2 0.01 0.10 0.19 -0.04 3.68 3.94 2g5xA1 PRO 29 HD3 0.01 0.13 0.24 -0.04 3.65 3.99 2g5xA1 LYS 30 H -0.01 -0.00 0.15 -0.55 8.42 8.00 2g5xA1 LYS 30 HA -0.03 0.26 0.66 -0.75 4.32 4.46 2g5xA1 LYS 30 HB2 -0.02 -0.12 -0.05 -0.04 1.87 1.64 2g5xA1 LYS 30 HB3 -0.04 -0.03 -0.23 -0.04 1.79 1.45 2g5xA1 LYS 30 HG2 -0.02 0.08 -0.22 -0.04 1.46 1.26 2g5xA1 LYS 30 HG3 -0.02 -0.04 -0.07 -0.04 1.46 1.29 2g5xA1 LYS 30 HD2 -0.02 -0.07 -0.15 -0.04 1.69 1.40 2g5xA1 LYS 30 HD3 -0.04 0.06 -0.49 -0.04 1.68 1.18 2g5xA1 LYS 30 HE2 -0.02 0.05 -0.11 -0.04 2.99 2.87 2g5xA1 LYS 30 HE3 -0.02 -0.03 -0.08 -0.04 2.99 2.82 2g5xA1 VAL 31 H -0.08 0.72 0.21 -0.55 8.24 8.54 2g5xA1 VAL 31 HA -0.04 0.10 0.86 -0.75 4.13 4.29 2g5xA1 VAL 31 HB -0.21 0.06 0.04 -0.04 2.12 1.97 2g5xA1 VAL 31 HG13 -0.15 -0.00 -0.16 -0.04 0.97 0.62 2g5xA1 VAL 31 HG23 -0.09 0.01 -0.18 -0.04 0.95 0.65 2g5xA1 CYS 32 H -0.02 0.17 0.09 -0.55 8.50 8.20 2g5xA1 CYS 32 HA 0.01 -0.02 0.30 -0.75 4.58 4.12 2g5xA1 CYS 32 HB2 -0.03 0.25 0.04 -0.04 2.97 3.19 2g5xA1 CYS 32 HB3 0.07 -0.01 0.23 -0.04 2.97 3.21 2g5xA1 ASN 33 H -0.03 -0.00 -0.51 -0.55 8.53 7.44 2g5xA1 ASN 33 HA -0.03 -0.05 0.11 -0.75 4.76 4.04 2g5xA1 ASN 33 HB2 -0.02 -0.10 -0.19 -0.04 2.88 2.53 2g5xA1 ASN 33 HB3 -0.03 0.22 0.13 -0.04 2.79 3.07 2g5xA1 ASN 33 HD21 -0.02 -0.04 0.03 -0.04 7.03 6.97 2g5xA1 ASN 33 HD22 -0.02 0.02 0.05 -0.04 7.74 7.74 2g5xA1 ILE 34 H -0.08 0.17 -0.33 -0.55 8.25 7.46 2g5xA1 ILE 34 HA -0.09 0.23 0.83 -0.75 4.18 4.39 2g5xA1 ILE 34 HB -0.20 0.03 0.01 -0.04 1.89 1.69 2g5xA1 ILE 34 HG12 -0.16 0.06 -0.10 -0.04 1.49 1.25 2g5xA1 ILE 34 HG13 -0.15 0.07 -0.48 -0.04 1.21 0.61 2g5xA1 ILE 34 HG23 -0.17 0.04 -0.36 -0.04 0.93 0.40 2g5xA1 ILE 34 HD13 -0.51 -0.04 -0.02 -0.04 0.88 0.27 2g5xA1 PRO 35 HA -0.02 0.05 0.51 -0.51 4.44 4.48 2g5xA1 PRO 35 HB2 0.03 0.10 -0.02 -0.04 2.28 2.34 2g5xA1 PRO 35 HB3 -0.01 -0.03 0.03 -0.04 2.02 1.97 2g5xA1 PRO 35 HG2 -0.02 0.02 0.16 -0.04 2.03 2.15 2g5xA1 PRO 35 HG3 -0.03 -0.03 -0.08 -0.04 2.03 1.85 2g5xA1 PRO 35 HD2 -0.07 0.24 0.20 -0.04 3.68 4.01 2g5xA1 PRO 35 HD3 -0.05 0.07 0.09 -0.04 3.65 3.72 2g5xA1 VAL 36 H 0.02 0.29 0.21 -0.55 8.24 8.21 2g5xA1 VAL 36 HA 0.01 0.20 0.96 -0.75 4.13 4.55 2g5xA1 VAL 36 HB 0.05 0.04 0.02 -0.04 2.12 2.18 2g5xA1 VAL 36 HG13 0.12 0.04 -0.28 -0.04 0.97 0.80 2g5xA1 VAL 36 HG23 -0.06 -0.01 -0.14 -0.04 0.95 0.69 2g5xA1 THR 37 H 0.06 0.48 0.18 -0.55 8.28 8.45 2g5xA1 THR 37 HA 0.13 0.36 0.49 -0.75 4.39 4.62 2g5xA1 THR 37 HB 0.17 0.06 0.16 -0.04 4.32 4.67 2g5xA1 THR 37 HG23 0.11 0.03 -0.11 -0.04 1.22 1.20 2g5xA1 LYS 38 H 0.11 0.28 0.18 -0.55 8.42 8.44 2g5xA1 LYS 38 HA 0.05 0.15 0.91 -0.75 4.32 4.67 2g5xA1 LYS 38 HB2 0.00 -0.15 0.05 -0.04 1.87 1.73 2g5xA1 LYS 38 HB3 -0.01 -0.05 0.05 -0.04 1.79 1.74 2g5xA1 LYS 38 HG2 0.06 0.14 0.09 -0.04 1.46 1.71 2g5xA1 LYS 38 HG3 0.02 0.02 -0.01 -0.04 1.46 1.45 2g5xA1 LYS 38 HD2 0.03 -0.11 -0.13 -0.04 1.69 1.43 2g5xA1 LYS 38 HD3 0.07 0.00 -0.81 -0.04 1.68 0.90 2g5xA1 LYS 38 HE2 0.06 0.11 -0.00 -0.04 2.99 3.12 2g5xA1 LYS 38 HE3 0.03 0.01 -0.22 -0.04 2.99 2.77 2g5xA1 LYS 39 H -0.20 0.23 0.15 -0.55 8.42 8.04 2g5xA1 LYS 39 HA -0.73 0.11 0.37 -0.75 4.32 3.32 2g5xA1 LYS 39 HB2 -1.02 0.07 0.12 -0.04 1.87 1.00 2g5xA1 LYS 39 HB3 -0.38 -0.01 0.08 -0.04 1.79 1.44 2g5xA1 LYS 39 HG2 -0.38 -0.03 -0.09 -0.04 1.46 0.92 2g5xA1 LYS 39 HG3 -1.00 0.00 0.05 -0.04 1.46 0.46 2g5xA1 LYS 39 HD2 -0.46 0.08 -0.03 -0.04 1.69 1.25 2g5xA1 LYS 39 HD3 -0.26 -0.00 -0.02 -0.04 1.68 1.36 2g5xA1 LYS 39 HE2 -0.15 -0.03 -0.03 -0.04 2.99 2.75 2g5xA1 LYS 39 HE3 -0.13 -0.01 -0.02 -0.04 2.99 2.78 2g5xA1 ALA 40 H -0.13 0.12 -0.21 -0.55 8.40 7.63 2g5xA1 ALA 40 HA -0.11 0.11 0.52 -0.75 4.34 4.11 2g5xA1 ALA 40 HB3 -0.07 0.03 0.07 -0.04 1.41 1.40 2g5xA1 ASN 41 H -0.06 0.54 -0.57 -0.55 8.53 7.89 2g5xA1 ASN 41 HA -0.06 0.16 0.71 -0.75 4.76 4.82 2g5xA1 ASN 41 HB2 0.01 0.25 0.03 -0.04 2.88 3.13 2g5xA1 ASN 41 HB3 -0.01 -0.12 0.15 -0.04 2.79 2.77 2g5xA1 ASN 41 HD21 0.02 0.11 0.01 -0.04 7.03 7.13 2g5xA1 ASN 41 HD22 0.06 0.10 0.03 -0.04 7.74 7.89 2g5xA1 ASN 42 H -0.08 0.27 -0.55 -0.55 8.53 7.62 2g5xA1 ASN 42 HA -0.09 -0.03 0.53 -0.75 4.76 4.42 2g5xA1 ASN 42 HB2 -0.05 -0.03 0.10 -0.04 2.88 2.87 2g5xA1 ASN 42 HB3 -0.06 0.09 0.10 -0.04 2.79 2.88 2g5xA1 ASN 42 HD21 -0.03 0.00 -0.06 -0.04 7.03 6.90 2g5xA1 ASN 42 HD22 -0.03 -0.03 -0.09 -0.04 7.74 7.55 2g5xA1 ASP 43 H -0.10 0.14 -0.31 -0.55 8.40 7.57 2g5xA1 ASP 43 HA -0.07 0.19 0.80 -0.75 4.63 4.80 2g5xA1 ASP 43 HB2 0.03 0.02 0.14 -0.04 2.71 2.86 2g5xA1 ASP 43 HB3 -0.01 -0.03 -0.03 -0.04 2.70 2.58 2g5xA1 LYS 44 H -0.32 0.28 -0.29 -0.55 8.42 7.55 2g5xA1 LYS 44 HA -0.01 0.21 0.85 -0.75 4.32 4.62 2g5xA1 LYS 44 HB2 -0.09 -0.09 0.11 -0.04 1.87 1.77 2g5xA1 LYS 44 HB3 -0.04 0.09 0.03 -0.04 1.79 1.83 2g5xA1 LYS 44 HG2 -0.01 0.02 0.00 -0.04 1.46 1.42 2g5xA1 LYS 44 HG3 0.01 0.06 0.07 -0.04 1.46 1.56 2g5xA1 LYS 44 HD2 -0.01 0.25 -0.63 -0.04 1.69 1.25 2g5xA1 LYS 44 HD3 -0.04 -0.10 -0.19 -0.04 1.68 1.30 2g5xA1 LYS 44 HE2 -0.00 -0.01 -0.03 -0.04 2.99 2.90 2g5xA1 LYS 44 HE3 0.01 0.04 -0.01 -0.04 2.99 3.00 2g5xA1 PHE 45 H 0.17 0.29 0.20 -0.55 8.34 8.44 2g5xA1 PHE 45 HA 0.11 0.17 1.06 -0.75 4.62 5.21 2g5xA1 PHE 45 HB2 -0.03 0.05 -0.07 -0.04 3.15 3.05 2g5xA1 PHE 45 HB3 0.02 -0.03 -0.13 -0.04 3.06 2.88 2g5xA1 PHE 45 HD2 0.05 -0.00 -0.41 -0.04 7.28 6.88 2g5xA1 PHE 45 HE2 0.05 0.02 -0.21 -0.04 7.38 7.21 2g5xA1 PHE 45 HZ 0.01 -0.00 -0.12 -0.04 7.32 7.17 2g5xA1 VAL 46 H 0.25 0.64 0.28 -0.55 8.24 8.85 2g5xA1 VAL 46 HA -0.00 0.18 0.93 -0.75 4.13 4.49 2g5xA1 VAL 46 HB -0.25 -0.08 0.07 -0.04 2.12 1.82 2g5xA1 VAL 46 HG13 -0.34 0.03 -0.10 -0.04 0.97 0.51 2g5xA1 VAL 46 HG23 -0.39 0.01 -0.17 -0.04 0.95 0.35 2g5xA1 LEU 47 H 0.06 0.19 0.17 -0.55 8.37 8.24 2g5xA1 LEU 47 HA 0.16 0.28 0.94 -0.75 4.35 4.97 2g5xA1 LEU 47 HB2 0.09 0.01 0.09 -0.04 1.64 1.79 2g5xA1 LEU 47 HB3 0.14 -0.03 -0.01 -0.04 1.64 1.70 2g5xA1 LEU 47 HG 0.04 0.03 -0.03 -0.04 1.64 1.64 2g5xA1 LEU 47 HD13 0.08 0.02 0.05 -0.04 0.93 1.04 2g5xA1 LEU 47 HD23 -0.12 0.02 -0.20 -0.04 0.89 0.55 2g5xA1 VAL 48 H 0.25 0.56 0.32 -0.55 8.24 8.82 2g5xA1 VAL 48 HA 0.26 0.35 0.89 -0.75 4.13 4.88 2g5xA1 VAL 48 HB 0.50 -0.11 0.04 -0.04 2.12 2.51 2g5xA1 VAL 48 HG13 0.56 -0.02 -0.29 -0.04 0.97 1.18 2g5xA1 VAL 48 HG23 0.26 0.01 -0.28 -0.04 0.95 0.89 2g5xA1 ASN 49 H 0.23 0.74 0.29 -0.55 8.53 9.24 2g5xA1 ASN 49 HA 0.18 0.16 0.98 -0.75 4.76 5.33 2g5xA1 ASN 49 HB2 0.13 0.11 0.14 -0.04 2.88 3.22 2g5xA1 ASN 49 HB3 0.11 -0.04 -0.12 -0.04 2.79 2.70 2g5xA1 ASN 49 HD21 0.09 -0.02 -0.11 -0.04 7.03 6.96 2g5xA1 ASN 49 HD22 0.08 -0.01 -0.10 -0.04 7.74 7.67 2g5xA1 LEU 50 H 0.20 0.71 0.41 -0.55 8.37 9.14 2g5xA1 LEU 50 HA 0.06 0.24 0.97 -0.75 4.35 4.86 2g5xA1 LEU 50 HB2 0.35 -0.00 0.22 -0.04 1.64 2.17 2g5xA1 LEU 50 HB3 0.26 -0.04 0.05 -0.04 1.64 1.87 2g5xA1 LEU 50 HG 0.26 0.01 -0.15 -0.04 1.64 1.72 2g5xA1 LEU 50 HD13 0.27 -0.02 -0.05 -0.04 0.93 1.09 2g5xA1 LEU 50 HD23 0.24 0.02 -0.05 -0.04 0.89 1.07 2g5xA1 VAL 51 H -0.16 0.54 0.34 -0.55 8.24 8.41 2g5xA1 VAL 51 HA -0.07 0.36 1.10 -0.75 4.13 4.77 2g5xA1 VAL 51 HB -0.15 -0.12 -0.06 -0.04 2.12 1.75 2g5xA1 VAL 51 HG13 -0.13 0.06 -0.25 -0.04 0.97 0.62 2g5xA1 VAL 51 HG23 -0.00 0.00 -0.32 -0.04 0.95 0.59 2g5xA1 LEU 52 H -0.41 0.58 0.16 -0.55 8.37 8.15 2g5xA1 LEU 52 HA -0.48 0.20 0.76 -0.75 4.35 4.08 2g5xA1 LEU 52 HB2 -0.39 -0.12 0.17 -0.04 1.64 1.26 2g5xA1 LEU 52 HB3 -0.18 -0.09 0.08 -0.04 1.64 1.41 2g5xA1 LEU 52 HG -1.97 0.07 -0.04 -0.04 1.64 -0.34 2g5xA1 LEU 52 HD13 -0.37 -0.00 -0.02 -0.04 0.93 0.50 2g5xA1 LEU 52 HD23 -0.55 0.02 0.01 -0.04 0.89 0.33 2g5xA1 PRO 53 HA -0.29 0.13 0.41 -0.51 4.44 4.18 2g5xA1 PRO 53 HB2 -0.45 0.04 -0.01 -0.04 2.28 1.82 2g5xA1 PRO 53 HB3 -0.38 0.02 0.02 -0.04 2.02 1.64 2g5xA1 PRO 53 HG2 -1.52 -0.04 0.10 -0.04 2.03 0.52 2g5xA1 PRO 53 HG3 -0.66 0.09 0.10 -0.04 2.03 1.52 2g5xA1 PRO 53 HD2 -0.59 0.04 0.31 -0.04 3.68 3.39 2g5xA1 PRO 53 HD3 -0.51 0.27 0.16 -0.04 3.65 3.53 2g5xA1 PHE 54 H -0.64 0.06 -0.19 -0.55 8.34 7.03 2g5xA1 PHE 54 HA -0.10 0.13 0.39 -0.75 4.62 4.28 2g5xA1 PHE 54 HB2 -0.14 -0.06 0.05 -0.04 3.15 2.97 2g5xA1 PHE 54 HB3 -0.09 0.05 0.01 -0.04 3.06 2.99 2g5xA1 PHE 54 HD2 -0.14 -0.00 0.02 -0.04 7.28 7.12 2g5xA1 PHE 54 HE2 -0.12 0.01 0.02 -0.04 7.38 7.25 2g5xA1 PHE 54 HZ -0.10 -0.00 0.01 -0.04 7.32 7.19 2g5xA1 ASN 55 H -0.01 -0.02 -0.06 -0.55 8.53 7.89 2g5xA1 ASN 55 HA -0.02 0.29 0.88 -0.75 4.76 5.16 2g5xA1 ASN 55 HB2 -0.04 0.05 0.11 -0.04 2.88 2.95 2g5xA1 ASN 55 HB3 -0.01 0.05 -0.04 -0.04 2.79 2.75 2g5xA1 ASN 55 HD21 -0.07 0.02 -0.01 -0.04 7.03 6.93 2g5xA1 ASN 55 HD22 -0.03 0.06 -0.03 -0.04 7.74 7.69 2g5xA1 ARG 56 H -0.13 0.25 -0.11 -0.55 8.46 7.92 2g5xA1 ARG 56 HA -0.13 0.15 0.29 -0.75 4.34 3.90 2g5xA1 ARG 56 HB2 -0.05 0.21 0.08 -0.04 1.90 2.09 2g5xA1 ARG 56 HB3 -0.06 -0.05 0.11 -0.04 1.80 1.77 2g5xA1 ARG 56 HG2 -0.06 -0.02 -0.53 -0.04 1.67 1.03 2g5xA1 ARG 56 HG3 -0.04 -0.02 -0.13 -0.04 1.67 1.43 2g5xA1 ARG 56 HD2 -0.12 0.08 -0.06 -0.04 3.22 3.08 2g5xA1 ARG 56 HD3 -0.08 0.02 -0.08 -0.04 3.22 3.04 2g5xA1 ASN 57 H -0.20 -0.11 -0.40 -0.55 8.53 7.27 2g5xA1 ASN 57 HA -0.23 0.11 0.40 -0.75 4.76 4.28 2g5xA1 ASN 57 HB2 -0.39 -0.11 0.03 -0.04 2.88 2.36 2g5xA1 ASN 57 HB3 -1.20 0.03 -0.03 -0.04 2.79 1.55 2g5xA1 ASN 57 HD21 -0.06 0.05 -0.03 -0.04 7.03 6.95 2g5xA1 ASN 57 HD22 -0.21 -0.02 -0.04 -0.04 7.74 7.44 2g5xA1 THR 58 H -0.01 0.17 0.21 -0.55 8.28 8.10 2g5xA1 THR 58 HA 0.21 0.31 1.19 -0.75 4.39 5.35 2g5xA1 THR 58 HB 0.11 -0.04 0.06 -0.04 4.32 4.40 2g5xA1 THR 58 HG23 0.12 -0.00 -0.22 -0.04 1.22 1.07 2g5xA1 ILE 59 H 0.29 0.62 0.37 -0.55 8.25 8.98 2g5xA1 ILE 59 HA 0.11 0.33 1.04 -0.75 4.18 4.90 2g5xA1 ILE 59 HB -0.17 -0.02 0.13 -0.04 1.89 1.80 2g5xA1 ILE 59 HG12 -0.15 0.03 0.02 -0.04 1.49 1.34 2g5xA1 ILE 59 HG13 -0.61 -0.05 -0.27 -0.04 1.21 0.25 2g5xA1 ILE 59 HG23 -0.03 -0.01 -0.21 -0.04 0.93 0.64 2g5xA1 ILE 59 HD13 -1.46 -0.02 -0.04 -0.04 0.88 -0.69 2g5xA1 THR 60 H 0.12 0.53 0.33 -0.55 8.28 8.71 2g5xA1 THR 60 HA 0.20 0.33 1.14 -0.75 4.39 5.31 2g5xA1 THR 60 HB 0.18 -0.10 0.17 -0.04 4.32 4.52 2g5xA1 THR 60 HG23 0.26 0.02 -0.19 -0.04 1.22 1.26 2g5xA1 LEU 61 H 0.24 0.80 0.42 -0.55 8.37 9.28 2g5xA1 LEU 61 HA 0.17 0.13 0.86 -0.75 4.35 4.76 2g5xA1 LEU 61 HB2 0.25 0.01 0.08 -0.04 1.64 1.94 2g5xA1 LEU 61 HB3 -0.22 -0.02 0.02 -0.04 1.64 1.37 2g5xA1 LEU 61 HG 0.21 0.07 -0.03 -0.04 1.64 1.85 2g5xA1 LEU 61 HD13 0.23 -0.01 -0.09 -0.04 0.93 1.03 2g5xA1 LEU 61 HD23 0.02 -0.02 -0.11 -0.04 0.89 0.75 2g5xA1 ALA 62 H -0.03 0.45 0.30 -0.55 8.40 8.58 2g5xA1 ALA 62 HA 0.05 0.30 0.94 -0.75 4.34 4.88 2g5xA1 ALA 62 HB3 -0.33 -0.01 -0.13 -0.04 1.41 0.89 2g5xA1 PHE 63 H 0.37 0.73 0.22 -0.55 8.34 9.11 2g5xA1 PHE 63 HA 0.28 0.19 0.94 -0.75 4.62 5.28 2g5xA1 PHE 63 HB2 0.31 0.07 0.00 -0.04 3.15 3.48 2g5xA1 PHE 63 HB3 0.40 -0.02 -0.27 -0.04 3.06 3.13 2g5xA1 PHE 63 HD2 0.15 0.12 -0.39 -0.04 7.28 7.12 2g5xA1 PHE 63 HE2 0.12 -0.02 -0.11 -0.04 7.38 7.32 2g5xA1 PHE 63 HZ 0.12 -0.02 -0.14 -0.04 7.32 7.23 2g5xA1 ARG 64 H 0.44 0.69 0.28 -0.55 8.46 9.33 2g5xA1 ARG 64 HA -0.26 0.23 0.59 -0.75 4.34 4.15 2g5xA1 ARG 64 HB2 0.24 0.05 0.15 -0.04 1.90 2.30 2g5xA1 ARG 64 HB3 0.27 -0.20 0.23 -0.04 1.80 2.05 2g5xA1 ARG 64 HG2 0.03 -0.29 -0.05 -0.04 1.67 1.32 2g5xA1 ARG 64 HG3 -0.22 0.24 0.16 -0.04 1.67 1.80 2g5xA1 ARG 64 HD2 0.05 -0.09 0.04 -0.04 3.22 3.18 2g5xA1 ARG 64 HD3 -0.01 -0.03 0.10 -0.04 3.22 3.23 2g5xA1 ALA 65 H -0.14 0.78 0.38 -0.55 8.40 8.87 2g5xA1 ALA 65 HA 0.49 0.05 0.39 -0.75 4.34 4.52 2g5xA1 ALA 65 HB3 0.06 0.04 -0.00 -0.04 1.41 1.47 2g5xA1 SER 66 H 0.04 0.18 -0.19 -0.55 8.46 7.94 2g5xA1 SER 66 HA 0.13 0.17 0.47 -0.75 4.49 4.51 2g5xA1 SER 66 HB2 0.07 0.00 -0.03 -0.04 3.95 3.95 2g5xA1 SER 66 HB3 -0.01 -0.14 -0.38 -0.04 3.93 3.36 2g5xA1 ASP 67 H 0.16 0.05 -0.25 -0.55 8.40 7.81 2g5xA1 ASP 67 HA 0.26 0.25 0.75 -0.75 4.63 5.13 2g5xA1 ASP 67 HB2 0.27 -0.01 0.08 -0.04 2.71 3.01 2g5xA1 ASP 67 HB3 0.19 0.05 -0.18 -0.04 2.70 2.72 2g5xA1 ALA 68 H 0.08 0.32 -0.02 -0.55 8.40 8.23 2g5xA1 ALA 68 HA 0.07 0.09 0.21 -0.75 4.34 3.96 2g5xA1 ALA 68 HB3 -0.74 0.05 -0.04 -0.04 1.41 0.64 2g5xA1 TYR 69 H 0.37 0.11 -0.09 -0.55 8.29 8.13 2g5xA1 TYR 69 HA 0.18 0.13 0.72 -0.75 4.56 4.83 2g5xA1 TYR 69 HB2 0.13 0.06 -0.08 -0.04 3.06 3.13 2g5xA1 TYR 69 HB3 0.17 -0.07 0.07 -0.04 2.98 3.11 2g5xA1 TYR 69 HD2 0.11 0.01 -0.16 -0.04 7.15 7.06 2g5xA1 TYR 69 HE2 0.02 -0.10 -0.04 -0.04 6.85 6.69 2g5xA1 LEU 70 H -0.18 0.15 0.18 -0.55 8.37 7.97 2g5xA1 LEU 70 HA -0.21 0.21 0.64 -0.75 4.35 4.24 2g5xA1 LEU 70 HB2 -0.16 0.03 0.09 -0.04 1.64 1.57 2g5xA1 LEU 70 HB3 -0.11 -0.02 0.17 -0.04 1.64 1.64 2g5xA1 LEU 70 HG 0.17 -0.09 -0.19 -0.04 1.64 1.49 2g5xA1 LEU 70 HD13 -0.57 0.09 0.03 -0.04 0.93 0.44 2g5xA1 LEU 70 HD23 0.04 -0.00 -0.04 -0.04 0.89 0.84 2g5xA1 VAL 71 H 0.11 0.67 0.44 -0.55 8.24 8.90 2g5xA1 VAL 71 HA 0.48 0.12 1.01 -0.75 4.13 5.00 2g5xA1 VAL 71 HB 0.33 -0.10 0.10 -0.04 2.12 2.41 2g5xA1 VAL 71 HG13 0.48 0.04 -0.09 -0.04 0.97 1.36 2g5xA1 VAL 71 HG23 0.16 0.07 -0.15 -0.04 0.95 0.99 2g5xA1 GLY 72 H -0.01 0.27 0.25 -0.55 8.43 8.39 2g5xA1 GLY 72 HA2 -0.68 -0.03 0.34 -0.51 4.01 3.12 2g5xA1 GLY 72 HA3 -0.23 0.22 0.74 -0.51 4.01 4.23 2g5xA1 PHE 73 H -0.64 0.61 0.38 -0.55 8.34 8.14 2g5xA1 PHE 73 HA 0.07 0.26 0.82 -0.75 4.62 5.01 2g5xA1 PHE 73 HB2 -0.03 0.04 -0.03 -0.04 3.15 3.09 2g5xA1 PHE 73 HB3 -0.04 -0.01 -0.21 -0.04 3.06 2.75 2g5xA1 PHE 73 HD2 -0.24 -0.01 -0.33 -0.04 7.28 6.65 2g5xA1 PHE 73 HE2 -0.32 -0.03 -0.16 -0.04 7.38 6.83 2g5xA1 PHE 73 HZ -1.14 0.01 -0.12 -0.04 7.32 6.03 2g5xA1 GLN 74 H -0.02 0.54 0.36 -0.55 8.47 8.81 2g5xA1 GLN 74 HA -0.55 0.31 1.19 -0.75 4.36 4.55 2g5xA1 GLN 74 HB2 -1.31 -0.05 -0.03 -0.04 2.15 0.72 2g5xA1 GLN 74 HB3 -0.32 -0.02 0.17 -0.04 2.02 1.81 2g5xA1 GLN 74 HG2 -0.11 0.04 -0.31 -0.04 2.40 1.98 2g5xA1 GLN 74 HG3 -0.27 0.03 -0.15 -0.04 2.39 1.96 2g5xA1 GLN 74 HE21 0.08 -0.01 -0.14 -0.04 6.97 6.85 2g5xA1 GLN 74 HE22 0.04 0.00 -0.12 -0.04 7.69 7.57 2g5xA1 ASP 75 H -0.16 0.36 0.28 -0.55 8.40 8.33 2g5xA1 ASP 75 HA 0.06 0.30 0.81 -0.75 4.63 5.05 2g5xA1 ASP 75 HB2 -0.20 -0.06 0.25 -0.04 2.71 2.66 2g5xA1 ASP 75 HB3 0.12 0.02 -0.08 -0.04 2.70 2.72 2g5xA1 ARG 76 H -0.47 0.14 0.20 -0.55 8.46 7.77 2g5xA1 ARG 76 HA -0.11 0.28 1.11 -0.75 4.34 4.87 2g5xA1 ARG 76 HB2 -0.18 -0.05 0.03 -0.04 1.90 1.67 2g5xA1 ARG 76 HB3 -0.08 0.08 -0.20 -0.04 1.80 1.56 2g5xA1 ARG 76 HG2 -0.00 0.02 -0.32 -0.04 1.67 1.32 2g5xA1 ARG 76 HG3 0.07 -0.06 -0.27 -0.04 1.67 1.37 2g5xA1 ARG 76 HD2 0.16 -0.05 -0.06 -0.04 3.22 3.24 2g5xA1 ARG 76 HD3 0.04 0.13 -0.10 -0.04 3.22 3.25 2g5xA1 ASP 77 H -0.11 0.69 0.21 -0.55 8.40 8.64 2g5xA1 ASP 77 HA -0.18 0.09 0.52 -0.75 4.63 4.31 2g5xA1 ASP 77 HB2 -0.12 0.12 0.08 -0.04 2.71 2.76 2g5xA1 ASP 77 HB3 -0.09 -0.21 0.16 -0.04 2.70 2.52 2g5xA1 SER 78 H -0.15 0.21 0.20 -0.55 8.46 8.17 2g5xA1 SER 78 HA -0.08 0.14 0.44 -0.75 4.49 4.24 2g5xA1 SER 78 HB2 -0.07 0.01 0.11 -0.04 3.95 3.96 2g5xA1 SER 78 HB3 -0.11 0.33 0.23 -0.04 3.93 4.34 2g5xA1 LYS 79 H -0.08 -0.00 -0.11 -0.55 8.42 7.67 2g5xA1 LYS 79 HA -0.05 0.20 0.60 -0.75 4.32 4.32 2g5xA1 LYS 79 HB2 -0.06 0.01 0.06 -0.04 1.87 1.84 2g5xA1 LYS 79 HB3 -0.06 -0.07 0.06 -0.04 1.79 1.68 2g5xA1 LYS 79 HG2 -0.04 0.03 -0.23 -0.04 1.46 1.17 2g5xA1 LYS 79 HG3 -0.04 0.04 0.05 -0.04 1.46 1.47 2g5xA1 LYS 79 HD2 -0.04 -0.01 -0.00 -0.04 1.69 1.60 2g5xA1 LYS 79 HD3 -0.05 -0.02 -0.03 -0.04 1.68 1.55 2g5xA1 LYS 79 HE2 -0.03 0.01 -0.03 -0.04 2.99 2.90 2g5xA1 LYS 79 HE3 -0.03 0.01 -0.00 -0.04 2.99 2.93 2g5xA1 THR 80 H -0.06 -0.07 -0.13 -0.55 8.28 7.47 2g5xA1 THR 80 HA -0.03 0.29 0.90 -0.75 4.39 4.80 2g5xA1 THR 80 HB -0.03 0.07 0.06 -0.04 4.32 4.38 2g5xA1 THR 80 HG23 -0.04 -0.00 -0.11 -0.04 1.22 1.03 2g5xA1 ASN 81 H -0.05 0.26 -0.09 -0.55 8.53 8.11 2g5xA1 ASN 81 HA -0.04 0.17 0.28 -0.75 4.76 4.42 2g5xA1 ASN 81 HB2 -0.01 0.01 -0.20 -0.04 2.88 2.64 2g5xA1 ASN 81 HB3 -0.01 0.20 0.08 -0.04 2.79 3.02 2g5xA1 ASN 81 HD21 0.02 -0.03 0.04 -0.04 7.03 7.01 2g5xA1 ASN 81 HD22 0.00 0.03 0.05 -0.04 7.74 7.78 2g5xA1 LYS 82 H -0.05 -0.09 -0.25 -0.55 8.42 7.48 2g5xA1 LYS 82 HA -0.01 0.23 0.75 -0.75 4.32 4.53 2g5xA1 LYS 82 HB2 -0.04 -0.12 -0.06 -0.04 1.87 1.61 2g5xA1 LYS 82 HB3 -0.02 0.05 -0.04 -0.04 1.79 1.74 2g5xA1 LYS 82 HG2 -0.01 0.08 -0.06 -0.04 1.46 1.43 2g5xA1 LYS 82 HG3 -0.02 0.06 -0.20 -0.04 1.46 1.26 2g5xA1 LYS 82 HD2 -0.02 -0.07 -0.07 -0.04 1.69 1.48 2g5xA1 LYS 82 HD3 -0.01 0.05 -0.07 -0.04 1.68 1.61 2g5xA1 LYS 82 HE2 -0.00 0.03 -0.01 -0.04 2.99 2.96 2g5xA1 LYS 82 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.93 2g5xA1 LEU 83 H -0.01 0.20 0.19 -0.55 8.37 8.20 2g5xA1 LEU 83 HA -0.05 0.26 0.66 -0.75 4.35 4.46 2g5xA1 LEU 83 HB2 0.00 0.01 0.21 -0.04 1.64 1.82 2g5xA1 LEU 83 HB3 -0.03 -0.01 -0.05 -0.04 1.64 1.51 2g5xA1 LEU 83 HG 0.01 -0.01 0.04 -0.04 1.64 1.65 2g5xA1 LEU 83 HD13 0.03 0.02 -0.06 -0.04 0.93 0.89 2g5xA1 LEU 83 HD23 0.03 0.01 -0.12 -0.04 0.89 0.76 2g5xA1 ARG 84 H -0.13 0.63 0.39 -0.55 8.46 8.80 2g5xA1 ARG 84 HA -0.14 0.30 1.10 -0.75 4.34 4.84 2g5xA1 ARG 84 HB2 -0.16 0.02 -0.10 -0.04 1.90 1.62 2g5xA1 ARG 84 HB3 -0.13 -0.03 -0.13 -0.04 1.80 1.47 2g5xA1 ARG 84 HG2 -0.14 0.04 -0.16 -0.04 1.67 1.37 2g5xA1 ARG 84 HG3 -0.16 -0.04 -0.14 -0.04 1.67 1.29 2g5xA1 ARG 84 HD2 -0.14 0.04 -0.12 -0.04 3.22 2.96 2g5xA1 ARG 84 HD3 -0.16 -0.07 -0.12 -0.04 3.22 2.83 2g5xA1 ALA 85 H -0.23 0.60 0.39 -0.55 8.40 8.61 2g5xA1 ALA 85 HA -0.82 0.12 0.79 -0.75 4.34 3.67 2g5xA1 ALA 85 HB3 -0.17 0.00 0.06 -0.04 1.41 1.26 2g5xA1 ASN 86 H -0.86 0.65 0.34 -0.55 8.53 8.11 2g5xA1 ASN 86 HA -0.32 0.22 0.92 -0.75 4.76 4.83 2g5xA1 ASN 86 HB2 -1.39 -0.03 0.20 -0.04 2.88 1.62 2g5xA1 ASN 86 HB3 -0.59 -0.01 -0.02 -0.04 2.79 2.12 2g5xA1 ASN 86 HD21 -0.22 -0.10 -0.07 -0.04 7.03 6.60 2g5xA1 ASN 86 HD22 -0.98 0.19 0.00 -0.04 7.74 6.91 2g5xA1 PHE 87 H 0.05 0.25 0.13 -0.55 8.34 8.21 2g5xA1 PHE 87 HA -0.14 0.24 1.10 -0.75 4.62 5.07 2g5xA1 PHE 87 HB2 0.23 -0.04 0.04 -0.04 3.15 3.34 2g5xA1 PHE 87 HB3 0.11 -0.00 -0.09 -0.04 3.06 3.03 2g5xA1 PHE 87 HD2 0.03 0.08 -0.13 -0.04 7.28 7.21 2g5xA1 PHE 87 HE2 -0.06 0.02 -0.19 -0.04 7.38 7.12 2g5xA1 PHE 87 HZ 0.04 0.03 -0.17 -0.04 7.32 7.18 2g5xA1 PHE 88 H 0.12 0.57 0.28 -0.55 8.34 8.76 2g5xA1 PHE 88 HA 0.08 0.15 0.48 -0.75 4.62 4.57 2g5xA1 PHE 88 HB2 0.15 0.04 0.13 -0.04 3.15 3.43 2g5xA1 PHE 88 HB3 0.10 -0.27 0.08 -0.04 3.06 2.93 2g5xA1 PHE 88 HD2 0.07 0.07 -0.17 -0.04 7.28 7.21 2g5xA1 PHE 88 HE2 0.00 0.02 -0.28 -0.04 7.38 7.08 2g5xA1 PHE 88 HZ -0.00 0.00 -0.14 -0.04 7.32 7.14 2g5xA1 SER 89 H 0.25 0.72 0.31 -0.55 8.46 9.19 2g5xA1 SER 89 HA 0.12 0.09 0.42 -0.75 4.49 4.37 2g5xA1 SER 89 HB2 0.06 0.01 0.04 -0.04 3.95 4.02 2g5xA1 SER 89 HB3 0.08 0.29 0.08 -0.04 3.93 4.34 2g5xA1 ASP 90 H 0.19 -0.02 -0.20 -0.55 8.40 7.82 2g5xA1 ASP 90 HA 0.11 0.24 0.74 -0.75 4.63 4.97 2g5xA1 ASP 90 HB2 0.08 0.10 0.16 -0.04 2.71 3.02 2g5xA1 ASP 90 HB3 0.08 0.00 0.07 -0.04 2.70 2.82 2g5xA1 GLU 91 H 0.24 0.41 -0.25 -0.55 8.60 8.44 2g5xA1 GLU 91 HA 0.10 0.21 0.88 -0.75 4.29 4.74 2g5xA1 GLU 91 HB2 0.31 0.06 0.13 -0.04 2.09 2.55 2g5xA1 GLU 91 HB3 0.14 0.03 0.09 -0.04 1.99 2.21 2g5xA1 GLU 91 HG2 0.28 -0.19 -0.19 -0.04 2.34 2.20 2g5xA1 GLU 91 HG3 0.39 0.06 0.08 -0.04 2.34 2.82 2g5xA1 TYR 92 H 0.26 0.25 -0.06 -0.55 8.29 8.19 2g5xA1 TYR 92 HA -0.06 0.03 0.34 -0.75 4.56 4.11 2g5xA1 TYR 92 HB2 0.11 0.12 0.04 -0.04 3.06 3.29 2g5xA1 TYR 92 HB3 0.05 0.05 0.12 -0.04 2.98 3.17 2g5xA1 TYR 92 HD2 0.11 -0.01 -0.08 -0.04 7.15 7.13 2g5xA1 TYR 92 HE2 0.04 0.15 -0.04 -0.04 6.85 6.97 2g5xA1 ARG 93 H 0.14 0.17 -0.14 -0.55 8.46 8.08 2g5xA1 ARG 93 HA -0.05 0.08 0.39 -0.75 4.34 4.01 2g5xA1 ARG 93 HB2 0.04 -0.01 0.02 -0.04 1.90 1.91 2g5xA1 ARG 93 HB3 0.02 0.05 -0.00 -0.04 1.80 1.83 2g5xA1 ARG 93 HG2 0.15 -0.01 0.06 -0.04 1.67 1.83 2g5xA1 ARG 93 HG3 0.07 0.03 0.02 -0.04 1.67 1.75 2g5xA1 ARG 93 HD2 0.08 0.03 0.03 -0.04 3.22 3.32 2g5xA1 ARG 93 HD3 0.24 -0.04 -0.04 -0.04 3.22 3.34 2g5xA1 ALA 94 H -0.05 0.08 -0.37 -0.55 8.40 7.52 2g5xA1 ALA 94 HA -0.06 0.14 0.55 -0.75 4.34 4.21 2g5xA1 ALA 94 HB3 -0.02 0.01 0.04 -0.04 1.41 1.41 2g5xA1 LEU 95 H -0.32 0.37 -0.08 -0.55 8.37 7.79 2g5xA1 LEU 95 HA -0.26 0.24 0.93 -0.75 4.35 4.50 2g5xA1 LEU 95 HB2 -1.32 0.01 -0.08 -0.04 1.64 0.19 2g5xA1 LEU 95 HB3 -0.76 -0.02 -0.07 -0.04 1.64 0.75 2g5xA1 LEU 95 HG -0.17 0.05 -0.03 -0.04 1.64 1.45 2g5xA1 LEU 95 HD13 -0.12 -0.01 -0.09 -0.04 0.93 0.67 2g5xA1 LEU 95 HD23 0.03 0.04 -0.22 -0.04 0.89 0.70 2g5xA1 SER 96 H -0.54 0.65 0.07 -0.55 8.46 8.09 2g5xA1 SER 96 HA -0.19 -0.00 0.31 -0.75 4.49 3.85 2g5xA1 SER 96 HB2 -0.52 -0.02 0.02 -0.04 3.95 3.39 2g5xA1 SER 96 HB3 -1.39 -0.01 0.14 -0.04 3.93 2.63 2g5xA1 GLY 97 H -0.16 0.19 -0.30 -0.55 8.43 7.61 2g5xA1 GLY 97 HA2 0.02 0.05 0.37 -0.51 4.01 3.95 2g5xA1 GLY 97 HA3 -0.04 0.06 0.24 -0.51 4.01 3.76 2g5xA1 LYS 98 H -0.08 0.32 -0.42 -0.55 8.42 7.69 2g5xA1 LYS 98 HA -0.05 0.17 0.83 -0.75 4.32 4.51 2g5xA1 LYS 98 HB2 -0.04 -0.05 0.15 -0.04 1.87 1.89 2g5xA1 LYS 98 HB3 -0.03 0.02 -0.01 -0.04 1.79 1.72 2g5xA1 LYS 98 HG2 -0.10 -0.00 0.04 -0.04 1.46 1.35 2g5xA1 LYS 98 HG3 -0.11 0.01 -0.07 -0.04 1.46 1.24 2g5xA1 LYS 98 HD2 -0.00 -0.01 0.01 -0.04 1.69 1.64 2g5xA1 LYS 98 HD3 -0.00 0.04 0.01 -0.04 1.68 1.68 2g5xA1 LYS 98 HE2 0.05 -0.04 -0.08 -0.04 2.99 2.88 2g5xA1 LYS 98 HE3 0.03 -0.04 -0.02 -0.04 2.99 2.92 2g5xA1 TYR 99 H 0.25 0.46 -0.38 -0.55 8.29 8.07 2g5xA1 TYR 99 HA 0.32 0.01 0.27 -0.75 4.56 4.40 2g5xA1 TYR 99 HB2 0.33 -0.10 0.02 -0.04 3.06 3.28 2g5xA1 TYR 99 HB3 0.24 0.22 0.14 -0.04 2.98 3.54 2g5xA1 TYR 99 HD2 0.06 0.11 -0.14 -0.04 7.15 7.14 2g5xA1 TYR 99 HE2 0.02 0.05 -0.26 -0.04 6.85 6.62 2g5xA1 LYS 100 H -0.77 0.13 -0.34 -0.55 8.42 6.88 2g5xA1 LYS 100 HA -0.26 0.24 0.32 -0.75 4.32 3.87 2g5xA1 LYS 100 HB2 -0.91 -0.03 -0.02 -0.04 1.87 0.88 2g5xA1 LYS 100 HB3 -0.33 -0.02 -0.08 -0.04 1.79 1.31 2g5xA1 LYS 100 HG2 -0.15 -0.05 -0.05 -0.04 1.46 1.17 2g5xA1 LYS 100 HG3 -0.12 0.01 -0.08 -0.04 1.46 1.23 2g5xA1 LYS 100 HD2 -0.07 0.07 -0.01 -0.04 1.69 1.64 2g5xA1 LYS 100 HD3 -0.13 -0.03 -0.06 -0.04 1.68 1.42 2g5xA1 LYS 100 HE2 -0.02 -0.12 -0.01 -0.04 2.99 2.80 2g5xA1 LYS 100 HE3 -0.02 0.01 0.03 -0.04 2.99 2.98 2g5xA1 SER 101 H -0.13 0.23 -0.37 -0.55 8.46 7.64 2g5xA1 SER 101 HA -0.04 0.11 0.47 -0.75 4.49 4.27 2g5xA1 SER 101 HB2 -0.01 0.00 0.07 -0.04 3.95 3.97 2g5xA1 SER 101 HB3 -0.05 0.00 0.05 -0.04 3.93 3.89 2g5xA1 ILE 102 H -0.05 0.20 -0.43 -0.55 8.25 7.41 2g5xA1 ILE 102 HA -0.12 0.13 0.63 -0.75 4.18 4.06 2g5xA1 ILE 102 HB -0.13 0.01 0.03 -0.04 1.89 1.76 2g5xA1 ILE 102 HG12 -0.55 0.00 -0.17 -0.04 1.49 0.73 2g5xA1 ILE 102 HG13 -0.16 0.10 -0.16 -0.04 1.21 0.95 2g5xA1 ILE 102 HG23 -0.82 -0.03 -0.27 -0.04 0.93 -0.24 2g5xA1 ILE 102 HD13 -0.49 -0.02 -0.17 -0.04 0.88 0.16 2g5xA1 PHE 103 H 0.08 0.69 0.04 -0.55 8.34 8.59 2g5xA1 PHE 103 HA 0.01 0.09 0.66 -0.75 4.62 4.63 2g5xA1 PHE 103 HB2 0.05 0.13 0.14 -0.04 3.15 3.43 2g5xA1 PHE 103 HB3 0.01 -0.12 0.01 -0.04 3.06 2.92 2g5xA1 PHE 103 HD2 -0.08 0.03 -0.09 -0.04 7.28 7.10 2g5xA1 PHE 103 HE2 -0.52 0.07 -0.28 -0.04 7.38 6.61 2g5xA1 PHE 103 HZ -0.25 -0.03 -0.48 -0.04 7.32 6.51 2g5xA1 THR 104 H 0.07 0.29 -0.12 -0.55 8.28 7.97 2g5xA1 THR 104 HA 0.03 0.28 0.25 -0.75 4.39 4.19 2g5xA1 THR 104 HB 0.06 -0.08 -0.00 -0.04 4.32 4.26 2g5xA1 THR 104 HG23 0.03 0.00 -0.05 -0.04 1.22 1.16 2g5xA1 ASP 105 H 0.12 -0.02 -0.35 -0.55 8.40 7.60 2g5xA1 ASP 105 HA 0.05 0.26 0.78 -0.75 4.63 4.97 2g5xA1 ASP 105 HB2 0.07 -0.05 -0.07 -0.04 2.71 2.63 2g5xA1 ASP 105 HB3 0.05 -0.00 0.08 -0.04 2.70 2.78 2g5xA1 ALA 106 H 0.14 0.45 -0.26 -0.55 8.40 8.17 2g5xA1 ALA 106 HA 0.04 -0.08 0.26 -0.75 4.34 3.81 2g5xA1 ALA 106 HB3 0.22 -0.01 -0.06 -0.04 1.41 1.52 2g5xA1 GLU 107 H 0.03 0.47 0.34 -0.55 8.60 8.89 2g5xA1 GLU 107 HA 0.09 0.20 0.84 -0.75 4.29 4.65 2g5xA1 GLU 107 HB2 0.00 -0.04 0.18 -0.04 2.09 2.19 2g5xA1 GLU 107 HB3 0.02 -0.04 0.09 -0.04 1.99 2.02 2g5xA1 GLU 107 HG2 0.03 0.05 0.04 -0.04 2.34 2.41 2g5xA1 GLU 107 HG3 0.03 0.17 0.04 -0.04 2.34 2.54 2g5xA1 VAL 108 H -0.01 0.34 0.28 -0.55 8.24 8.30 2g5xA1 VAL 108 HA -0.09 0.17 0.64 -0.75 4.13 4.11 2g5xA1 VAL 108 HB -0.10 0.05 -0.02 -0.04 2.12 2.02 2g5xA1 VAL 108 HG13 -0.03 -0.01 -0.24 -0.04 0.97 0.65 2g5xA1 VAL 108 HG23 -0.09 -0.02 -0.22 -0.04 0.95 0.58 2g5xA1 LEU 109 H -0.34 0.21 0.13 -0.55 8.37 7.82 2g5xA1 LEU 109 HA -0.39 0.06 0.85 -0.75 4.35 4.12 2g5xA1 LEU 109 HB2 -1.00 0.00 0.08 -0.04 1.64 0.69 2g5xA1 LEU 109 HB3 -0.32 -0.03 0.18 -0.04 1.64 1.42 2g5xA1 LEU 109 HG 0.04 0.19 -0.24 -0.04 1.64 1.58 2g5xA1 LEU 109 HD13 0.09 0.01 0.08 -0.04 0.93 1.07 2g5xA1 LEU 109 HD23 -0.04 -0.01 -0.04 -0.04 0.89 0.77 2g5xA1 ALA 110 H -0.15 0.46 0.24 -0.55 8.40 8.41 2g5xA1 ALA 110 HA -0.08 0.09 0.65 -0.75 4.34 4.25 2g5xA1 ALA 110 HB3 -0.10 -0.01 -0.02 -0.04 1.41 1.23 2g5xA1 PRO 111 HA -0.10 0.03 0.45 -0.51 4.44 4.32 2g5xA1 PRO 111 HB2 -0.06 0.08 -0.00 -0.04 2.28 2.26 2g5xA1 PRO 111 HB3 -0.09 -0.01 0.12 -0.04 2.02 2.00 2g5xA1 PRO 111 HG2 -0.06 0.02 0.07 -0.04 2.03 2.02 2g5xA1 PRO 111 HG3 -0.05 0.05 0.07 -0.04 2.03 2.06 2g5xA1 PRO 111 HD2 -0.07 0.08 0.16 -0.04 3.68 3.81 2g5xA1 PRO 111 HD3 -0.07 0.11 0.21 -0.04 3.65 3.86 2g5xA1 ALA 112 H -0.49 0.04 0.15 -0.55 8.40 7.56 2g5xA1 ALA 112 HA -0.12 0.05 0.47 -0.75 4.34 3.99 2g5xA1 ALA 112 HB3 -0.49 -0.02 0.10 -0.04 1.41 0.96 2g5xA1 LEU 113 H 0.00 0.55 0.25 -0.55 8.37 8.62 2g5xA1 LEU 113 HA 0.02 0.15 0.41 -0.75 4.35 4.17 2g5xA1 LEU 113 HB2 0.06 -0.07 0.04 -0.04 1.64 1.62 2g5xA1 LEU 113 HB3 0.04 -0.04 -0.04 -0.04 1.64 1.56 2g5xA1 LEU 113 HG -0.28 0.01 -0.20 -0.04 1.64 1.13 2g5xA1 LEU 113 HD13 -0.52 -0.02 -0.29 -0.04 0.93 0.06 2g5xA1 LEU 113 HD23 -0.46 0.02 -0.08 -0.04 0.89 0.33 2g5xA1 PRO 114 HA 0.05 0.14 0.44 -0.51 4.44 4.56 2g5xA1 PRO 114 HB2 0.07 -0.10 0.12 -0.04 2.28 2.32 2g5xA1 PRO 114 HB3 0.07 0.11 0.05 -0.04 2.02 2.21 2g5xA1 PRO 114 HG2 0.09 0.01 -0.36 -0.04 2.03 1.73 2g5xA1 PRO 114 HG3 0.14 0.04 -0.51 -0.04 2.03 1.65 2g5xA1 PRO 114 HD2 0.05 0.06 0.07 -0.04 3.68 3.82 2g5xA1 PRO 114 HD3 0.14 0.23 0.07 -0.04 3.65 4.05 2g5xA1 CYS 115 H 0.14 0.27 -0.67 -0.55 8.50 7.69 2g5xA1 CYS 115 HA 0.07 0.09 0.43 -0.75 4.58 4.42 2g5xA1 CYS 115 HB2 0.05 -0.04 0.09 -0.04 2.97 3.03 2g5xA1 CYS 115 HB3 0.08 0.12 -0.21 -0.04 2.97 2.93 2g5xA1 ALA 116 H 0.01 0.16 0.09 -0.55 8.40 8.11 2g5xA1 ALA 116 HA 0.09 -0.04 0.83 -0.75 4.34 4.46 2g5xA1 ALA 116 HB3 0.02 0.01 0.10 -0.04 1.41 1.49 2g5xA1 SER 117 H -0.06 0.07 0.14 -0.55 8.46 8.07 2g5xA1 SER 117 HA -1.27 0.22 0.54 -0.75 4.49 3.23 2g5xA1 SER 117 HB2 -0.14 0.28 0.16 -0.04 3.95 4.21 2g5xA1 SER 117 HB3 0.13 -0.06 0.11 -0.04 3.93 4.07 2g5xA1 THR 118 H -0.06 -0.06 -0.14 -0.55 8.28 7.47 2g5xA1 THR 118 HA 0.07 0.21 0.49 -0.75 4.39 4.41 2g5xA1 THR 118 HB 0.07 -0.07 0.11 -0.04 4.32 4.39 2g5xA1 THR 118 HG23 0.08 0.04 0.05 -0.04 1.22 1.35 2g5xA1 TYR 119 H 0.11 0.22 0.19 -0.55 8.29 8.26 2g5xA1 TYR 119 HA -0.03 0.15 0.44 -0.75 4.56 4.37 2g5xA1 TYR 119 HB2 0.04 -0.01 0.18 -0.04 3.06 3.23 2g5xA1 TYR 119 HB3 0.01 0.01 -0.01 -0.04 2.98 2.95 2g5xA1 TYR 119 HD2 0.03 -0.02 0.07 -0.04 7.15 7.18 2g5xA1 TYR 119 HE2 0.02 0.05 0.01 -0.04 6.85 6.89 2g5xA1 THR 120 H 0.12 0.07 -0.13 -0.55 8.28 7.80 2g5xA1 THR 120 HA 0.07 0.11 0.37 -0.75 4.39 4.19 2g5xA1 THR 120 HB 0.04 0.08 -0.02 -0.04 4.32 4.38 2g5xA1 THR 120 HG23 0.07 0.02 0.04 -0.04 1.22 1.30 2g5xA1 ASP 121 H 0.02 0.03 -0.22 -0.55 8.40 7.68 2g5xA1 ASP 121 HA 0.02 0.13 0.45 -0.75 4.63 4.48 2g5xA1 ASP 121 HB2 0.01 -0.01 0.07 -0.04 2.71 2.73 2g5xA1 ASP 121 HB3 -0.03 0.04 -0.02 -0.04 2.70 2.65 2g5xA1 LEU 122 H -0.03 0.56 -0.22 -0.55 8.37 8.13 2g5xA1 LEU 122 HA -0.03 0.02 0.41 -0.75 4.35 4.00 2g5xA1 LEU 122 HB2 0.00 0.02 0.12 -0.04 1.64 1.74 2g5xA1 LEU 122 HB3 -0.01 0.01 -0.02 -0.04 1.64 1.58 2g5xA1 LEU 122 HG -0.25 0.09 -0.13 -0.04 1.64 1.31 2g5xA1 LEU 122 HD13 -0.28 -0.02 -0.16 -0.04 0.93 0.43 2g5xA1 LEU 122 HD23 -0.21 -0.02 -0.01 -0.04 0.89 0.61 2g5xA1 GLN 123 H 0.05 0.49 -0.19 -0.55 8.47 8.28 2g5xA1 GLN 123 HA 0.03 0.14 0.48 -0.75 4.36 4.26 2g5xA1 GLN 123 HB2 0.04 0.08 0.11 -0.04 2.15 2.34 2g5xA1 GLN 123 HB3 0.02 -0.05 -0.04 -0.04 2.02 1.91 2g5xA1 GLN 123 HG2 0.04 0.03 0.08 -0.04 2.40 2.51 2g5xA1 GLN 123 HG3 0.10 0.13 0.12 -0.04 2.39 2.70 2g5xA1 GLN 123 HE21 -0.01 -0.06 -0.08 -0.04 6.97 6.79 2g5xA1 GLN 123 HE22 0.09 0.30 -0.30 -0.04 7.69 7.74 2g5xA1 ASN 124 H 0.03 0.34 -0.22 -0.55 8.53 8.12 2g5xA1 ASN 124 HA 0.02 0.03 0.41 -0.75 4.76 4.47 2g5xA1 ASN 124 HB2 0.02 0.02 0.19 -0.04 2.88 3.07 2g5xA1 ASN 124 HB3 0.02 -0.01 0.01 -0.04 2.79 2.77 2g5xA1 ASN 124 HD21 0.02 -0.07 -0.07 -0.04 7.03 6.87 2g5xA1 ASN 124 HD22 0.02 -0.10 -0.10 -0.04 7.74 7.52 2g5xA1 LYS 125 H 0.02 0.56 -0.12 -0.55 8.42 8.32 2g5xA1 LYS 125 HA 0.03 0.05 0.45 -0.75 4.32 4.09 2g5xA1 LYS 125 HB2 0.03 0.10 0.16 -0.04 1.87 2.12 2g5xA1 LYS 125 HB3 0.04 0.08 -0.22 -0.04 1.79 1.65 2g5xA1 LYS 125 HG2 0.05 -0.02 0.08 -0.04 1.46 1.53 2g5xA1 LYS 125 HG3 0.04 -0.07 0.05 -0.04 1.46 1.43 2g5xA1 LYS 125 HD2 0.03 -0.02 -0.10 -0.04 1.69 1.56 2g5xA1 LYS 125 HD3 0.02 0.04 0.07 -0.04 1.68 1.77 2g5xA1 LYS 125 HE2 0.04 -0.01 0.10 -0.04 2.99 3.08 2g5xA1 LYS 125 HE3 0.03 0.02 0.05 -0.04 2.99 3.06 2g5xA1 ALA 126 H 0.03 0.51 -0.11 -0.55 8.40 8.29 2g5xA1 ALA 126 HA 0.03 0.04 0.51 -0.75 4.34 4.18 2g5xA1 ALA 126 HB3 0.03 -0.02 -0.01 -0.04 1.41 1.37 2g5xA1 GLY 127 H 0.02 0.37 -0.38 -0.55 8.43 7.90 2g5xA1 GLY 127 HA2 0.02 0.02 0.26 -0.51 4.01 3.80 2g5xA1 GLY 127 HA3 0.02 0.06 0.45 -0.51 4.01 4.03 2g5xA1 VAL 128 H 0.02 0.28 -0.09 -0.55 8.24 7.90 2g5xA1 VAL 128 HA 0.01 0.08 0.61 -0.75 4.13 4.07 2g5xA1 VAL 128 HB 0.01 0.15 -0.28 -0.04 2.12 1.96 2g5xA1 VAL 128 HG13 0.01 -0.01 -0.22 -0.04 0.97 0.71 2g5xA1 VAL 128 HG23 -0.00 0.01 -0.12 -0.04 0.95 0.80 2g5xA1 SER 129 H -0.00 0.11 0.06 -0.55 8.46 8.09 2g5xA1 SER 129 HA -0.00 0.20 0.61 -0.75 4.49 4.54 2g5xA1 SER 129 HB2 -0.02 -0.07 0.11 -0.04 3.95 3.93 2g5xA1 SER 129 HB3 -0.01 0.13 0.06 -0.04 3.93 4.07 2g5xA1 ARG 130 H -0.04 0.18 0.15 -0.55 8.46 8.19 2g5xA1 ARG 130 HA -0.03 0.16 0.38 -0.75 4.34 4.09 2g5xA1 ARG 130 HB2 -0.13 -0.07 0.10 -0.04 1.90 1.76 2g5xA1 ARG 130 HB3 -0.14 0.07 -0.00 -0.04 1.80 1.69 2g5xA1 ARG 130 HG2 -0.14 0.07 0.05 -0.04 1.67 1.61 2g5xA1 ARG 130 HG3 -0.09 -0.02 0.10 -0.04 1.67 1.61 2g5xA1 ARG 130 HD2 -0.98 -0.03 0.03 -0.04 3.22 2.19 2g5xA1 ARG 130 HD3 -0.35 -0.03 0.02 -0.04 3.22 2.83 2g5xA1 GLU 131 H -0.04 0.02 -0.20 -0.55 8.60 7.83 2g5xA1 GLU 131 HA -0.03 0.08 0.36 -0.75 4.29 3.95 2g5xA1 GLU 131 HB2 -0.02 -0.00 -0.01 -0.04 2.09 2.02 2g5xA1 GLU 131 HB3 -0.01 -0.01 -0.11 -0.04 1.99 1.82 2g5xA1 GLU 131 HG2 -0.01 -0.02 -0.18 -0.04 2.34 2.08 2g5xA1 GLU 131 HG3 -0.03 0.14 -0.27 -0.04 2.34 2.13 2g5xA1 LYS 132 H -0.02 0.08 -0.30 -0.55 8.42 7.62 2g5xA1 LYS 132 HA -0.02 0.24 1.03 -0.75 4.32 4.82 2g5xA1 LYS 132 HB2 -0.00 0.06 0.10 -0.04 1.87 1.99 2g5xA1 LYS 132 HB3 -0.00 -0.05 -0.08 -0.04 1.79 1.61 2g5xA1 LYS 132 HG2 -0.01 -0.17 0.01 -0.04 1.46 1.25 2g5xA1 LYS 132 HG3 -0.00 0.08 -0.13 -0.04 1.46 1.36 2g5xA1 LYS 132 HD2 0.00 0.05 -0.01 -0.04 1.69 1.69 2g5xA1 LYS 132 HD3 -0.00 -0.04 -0.02 -0.04 1.68 1.58 2g5xA1 LYS 132 HE2 0.00 0.04 0.00 -0.04 2.99 2.99 2g5xA1 LYS 132 HE3 0.00 -0.11 0.02 -0.04 2.99 2.86 2g5xA1 LEU 133 H -0.04 0.24 -0.24 -0.55 8.37 7.78 2g5xA1 LEU 133 HA -0.02 -0.00 0.38 -0.75 4.35 3.96 2g5xA1 LEU 133 HB2 -0.01 0.06 -0.06 -0.04 1.64 1.58 2g5xA1 LEU 133 HB3 -0.04 0.01 0.04 -0.04 1.64 1.60 2g5xA1 LEU 133 HG -0.04 0.09 -0.45 -0.04 1.64 1.20 2g5xA1 LEU 133 HD13 0.00 -0.02 -0.03 -0.04 0.93 0.83 2g5xA1 LEU 133 HD23 0.00 -0.01 -0.21 -0.04 0.89 0.63 2g5xA1 SER 134 H -0.03 0.09 0.14 -0.55 8.46 8.12 2g5xA1 SER 134 HA -0.09 0.11 0.42 -0.75 4.49 4.18 2g5xA1 SER 134 HB2 -0.01 0.00 0.14 -0.04 3.95 4.04 2g5xA1 SER 134 HB3 -0.01 0.00 -0.05 -0.04 3.93 3.82 2g5xA1 LEU 135 H -0.27 0.64 0.41 -0.55 8.37 8.60 2g5xA1 LEU 135 HA -0.09 0.13 0.88 -0.75 4.35 4.52 2g5xA1 LEU 135 HB2 -0.97 0.01 0.03 -0.04 1.64 0.67 2g5xA1 LEU 135 HB3 -0.23 -0.06 0.06 -0.04 1.64 1.37 2g5xA1 LEU 135 HG -0.34 0.28 0.02 -0.04 1.64 1.56 2g5xA1 LEU 135 HD13 -0.39 -0.03 -0.08 -0.04 0.93 0.40 2g5xA1 LEU 135 HD23 -0.09 0.01 -0.18 -0.04 0.89 0.58 2g5xA1 GLY 136 H 0.03 0.17 0.17 -0.55 8.43 8.25 2g5xA1 GLY 136 HA2 0.13 0.14 0.46 -0.51 4.01 4.23 2g5xA1 GLY 136 HA3 0.10 0.31 0.99 -0.51 4.01 4.89 2g5xA1 VAL 137 H 0.05 0.75 0.26 -0.55 8.24 8.75 2g5xA1 VAL 137 HA 0.03 0.02 0.38 -0.75 4.13 3.81 2g5xA1 VAL 137 HB -0.04 0.13 0.10 -0.04 2.12 2.27 2g5xA1 VAL 137 HG13 -0.14 -0.05 -0.31 -0.04 0.97 0.43 2g5xA1 VAL 137 HG23 0.05 0.04 -0.01 -0.04 0.95 0.99 2g5xA1 SER 138 H 0.02 0.23 -0.18 -0.55 8.46 7.98 2g5xA1 SER 138 HA 0.03 0.08 0.37 -0.75 4.49 4.21 2g5xA1 SER 138 HB2 0.04 0.00 -0.10 -0.04 3.95 3.85 2g5xA1 SER 138 HB3 0.03 0.02 -0.06 -0.04 3.93 3.88 2g5xA1 SER 139 H 0.04 0.13 -0.47 -0.55 8.46 7.61 2g5xA1 SER 139 HA 0.04 0.04 0.29 -0.75 4.49 4.10 2g5xA1 SER 139 HB2 0.03 0.05 -0.13 -0.04 3.95 3.86 2g5xA1 SER 139 HB3 0.02 0.13 -0.09 -0.04 3.93 3.95 2g5xA1 LEU 140 H 0.06 0.58 -0.17 -0.55 8.37 8.29 2g5xA1 LEU 140 HA 0.14 0.02 0.43 -0.75 4.35 4.18 2g5xA1 LEU 140 HB2 0.12 -0.01 0.05 -0.04 1.64 1.75 2g5xA1 LEU 140 HB3 0.06 0.12 0.10 -0.04 1.64 1.88 2g5xA1 LEU 140 HG 0.17 -0.01 -0.19 -0.04 1.64 1.57 2g5xA1 LEU 140 HD13 0.19 -0.03 -0.01 -0.04 0.93 1.04 2g5xA1 LEU 140 HD23 0.21 0.00 -0.08 -0.04 0.89 0.98 2g5xA1 GLN 141 H 0.03 0.56 -0.14 -0.55 8.47 8.38 2g5xA1 GLN 141 HA 0.00 -0.00 0.41 -0.75 4.36 4.02 2g5xA1 GLN 141 HB2 0.06 0.09 0.15 -0.04 2.15 2.41 2g5xA1 GLN 141 HB3 0.12 -0.07 0.04 -0.04 2.02 2.07 2g5xA1 GLN 141 HG2 -0.11 -0.05 0.09 -0.04 2.40 2.28 2g5xA1 GLN 141 HG3 -0.07 0.28 0.08 -0.04 2.39 2.64 2g5xA1 GLN 141 HE21 -0.23 -0.11 0.06 -0.04 6.97 6.65 2g5xA1 GLN 141 HE22 -0.32 0.48 0.17 -0.04 7.69 7.98 2g5xA1 THR 142 H 0.05 0.54 -0.21 -0.55 8.28 8.12 2g5xA1 THR 142 HA 0.02 0.02 0.40 -0.75 4.39 4.07 2g5xA1 THR 142 HB 0.04 0.12 0.12 -0.04 4.32 4.56 2g5xA1 THR 142 HG23 0.02 -0.02 -0.12 -0.04 1.22 1.06 2g5xA1 ALA 143 H 0.11 0.52 -0.14 -0.55 8.40 8.35 2g5xA1 ALA 143 HA 0.09 0.02 0.37 -0.75 4.34 4.06 2g5xA1 ALA 143 HB3 0.21 0.01 0.03 -0.04 1.41 1.61 2g5xA1 PHE 144 H 0.27 0.59 -0.24 -0.55 8.34 8.41 2g5xA1 PHE 144 HA -0.47 -0.03 0.39 -0.75 4.62 3.75 2g5xA1 PHE 144 HB2 0.08 0.11 0.10 -0.04 3.15 3.40 2g5xA1 PHE 144 HB3 -0.02 0.15 0.17 -0.04 3.06 3.32 2g5xA1 PHE 144 HD2 0.00 0.03 -0.33 -0.04 7.28 6.94 2g5xA1 PHE 144 HE2 -0.19 0.05 -0.15 -0.04 7.38 7.05 2g5xA1 PHE 144 HZ -0.16 -0.01 -0.46 -0.04 7.32 6.65 2g5xA1 THR 145 H 0.17 0.54 -0.15 -0.55 8.28 8.28 2g5xA1 THR 145 HA 0.20 -0.01 0.35 -0.75 4.39 4.18 2g5xA1 THR 145 HB 0.03 0.14 0.12 -0.04 4.32 4.57 2g5xA1 THR 145 HG23 0.01 -0.02 -0.06 -0.04 1.22 1.11 2g5xA1 ALA 146 H 0.04 0.35 -0.39 -0.55 8.40 7.85 2g5xA1 ALA 146 HA 0.03 0.07 0.48 -0.75 4.34 4.16 2g5xA1 ALA 146 HB3 0.03 -0.00 0.09 -0.04 1.41 1.48 2g5xA1 VAL 147 H -0.07 0.37 -0.50 -0.55 8.24 7.48 2g5xA1 VAL 147 HA 0.07 0.14 0.90 -0.75 4.13 4.49 2g5xA1 VAL 147 HB -0.67 0.09 0.11 -0.04 2.12 1.61 2g5xA1 VAL 147 HG13 -0.49 -0.04 -0.24 -0.04 0.97 0.15 2g5xA1 VAL 147 HG23 -0.20 -0.02 -0.25 -0.04 0.95 0.45 2g5xA1 TYR 148 H -0.12 0.54 0.15 -0.55 8.29 8.31 2g5xA1 TYR 148 HA -0.09 -0.11 0.36 -0.75 4.56 3.97 2g5xA1 TYR 148 HB2 -0.35 -0.01 0.05 -0.04 3.06 2.71 2g5xA1 TYR 148 HB3 0.08 0.05 0.07 -0.04 2.98 3.15 2g5xA1 TYR 148 HD2 -0.02 0.04 -0.13 -0.04 7.15 7.00 2g5xA1 TYR 148 HE2 0.04 0.11 0.02 -0.04 6.85 6.98 2g5xA1 GLY 149 H -0.41 0.01 0.23 -0.55 8.43 7.71 2g5xA1 GLY 149 HA2 -0.36 0.21 0.47 -0.51 4.01 3.82 2g5xA1 GLY 149 HA3 -0.36 0.01 0.41 -0.51 4.01 3.56 2g5xA1 LYS 150 H -0.09 0.44 -0.29 -0.55 8.42 7.93 2g5xA1 LYS 150 HA -0.13 0.16 0.98 -0.75 4.32 4.57 2g5xA1 LYS 150 HB2 0.01 0.15 -0.16 -0.04 1.87 1.82 2g5xA1 LYS 150 HB3 -0.04 -0.17 0.12 -0.04 1.79 1.67 2g5xA1 LYS 150 HG2 -0.02 -0.06 -0.13 -0.04 1.46 1.20 2g5xA1 LYS 150 HG3 0.01 0.24 -0.39 -0.04 1.46 1.28 2g5xA1 LYS 150 HD2 0.03 0.08 -0.23 -0.04 1.69 1.54 2g5xA1 LYS 150 HD3 0.01 -0.11 -0.03 -0.04 1.68 1.51 2g5xA1 LYS 150 HE2 0.02 -0.11 -0.04 -0.04 2.99 2.82 2g5xA1 LYS 150 HE3 0.06 0.11 -0.02 -0.04 2.99 3.10 2g5xA1 VAL 151 H -0.10 0.13 0.14 -0.55 8.24 7.85 2g5xA1 VAL 151 HA -0.29 0.04 0.59 -0.75 4.13 3.71 2g5xA1 VAL 151 HB -0.05 -0.01 0.14 -0.04 2.12 2.16 2g5xA1 VAL 151 HG13 -0.05 0.01 -0.11 -0.04 0.97 0.78 2g5xA1 VAL 151 HG23 -0.10 -0.00 0.05 -0.04 0.95 0.86 2g5xA1 PHE 152 H -0.22 0.11 0.17 -0.55 8.34 7.84 2g5xA1 PHE 152 HA 0.00 0.15 0.62 -0.75 4.62 4.63 2g5xA1 PHE 152 HB2 -0.01 -0.01 0.11 -0.04 3.15 3.19 2g5xA1 PHE 152 HB3 0.04 -0.04 -0.04 -0.04 3.06 2.98 2g5xA1 PHE 152 HD2 -0.03 0.03 -0.11 -0.04 7.28 7.13 2g5xA1 PHE 152 HE2 -0.11 0.10 -0.08 -0.04 7.38 7.24 2g5xA1 PHE 152 HZ -0.04 -0.08 -0.09 -0.04 7.32 7.07 2g5xA1 THR 153 H 0.16 0.19 0.23 -0.55 8.28 8.31 2g5xA1 THR 153 HA 0.08 0.24 0.90 -0.75 4.39 4.86 2g5xA1 THR 153 HB 0.05 -0.02 0.14 -0.04 4.32 4.45 2g5xA1 THR 153 HG23 0.05 0.07 -0.09 -0.04 1.22 1.21 2g5xA1 GLY 154 H 0.06 0.23 0.16 -0.55 8.43 8.33 2g5xA1 GLY 154 HA2 0.08 0.05 0.28 -0.51 4.01 3.90 2g5xA1 GLY 154 HA3 0.05 0.15 0.36 -0.51 4.01 4.06 2g5xA1 LYS 155 H 0.05 0.07 -0.14 -0.55 8.42 7.84 2g5xA1 LYS 155 HA 0.05 0.19 0.20 -0.75 4.32 4.00 2g5xA1 LYS 155 HB2 0.03 0.10 0.12 -0.04 1.87 2.08 2g5xA1 LYS 155 HB3 0.04 -0.10 0.08 -0.04 1.79 1.77 2g5xA1 LYS 155 HG2 0.04 -0.07 -0.25 -0.04 1.46 1.14 2g5xA1 LYS 155 HG3 0.03 0.17 0.10 -0.04 1.46 1.72 2g5xA1 LYS 155 HD2 0.02 0.03 0.01 -0.04 1.69 1.70 2g5xA1 LYS 155 HD3 0.03 -0.06 -0.02 -0.04 1.68 1.59 2g5xA1 LYS 155 HE2 0.03 -0.06 -0.04 -0.04 2.99 2.88 2g5xA1 LYS 155 HE3 0.02 0.16 0.02 -0.04 2.99 3.15 2g5xA1 ASN 156 H 0.06 0.06 -0.14 -0.55 8.53 7.96 2g5xA1 ASN 156 HA 0.05 0.07 0.38 -0.75 4.76 4.51 2g5xA1 ASN 156 HB2 0.07 -0.10 0.13 -0.04 2.88 2.95 2g5xA1 ASN 156 HB3 0.04 0.12 -0.10 -0.04 2.79 2.81 2g5xA1 ASN 156 HD21 0.04 -0.01 0.05 -0.04 7.03 7.07 2g5xA1 ASN 156 HD22 0.06 0.07 0.10 -0.04 7.74 7.94 2g5xA1 VAL 157 H 0.07 0.47 -0.16 -0.55 8.24 8.06 2g5xA1 VAL 157 HA 0.02 0.06 0.35 -0.75 4.13 3.81 2g5xA1 VAL 157 HB 0.09 0.08 0.00 -0.04 2.12 2.25 2g5xA1 VAL 157 HG13 0.21 -0.02 -0.24 -0.04 0.97 0.88 2g5xA1 VAL 157 HG23 -0.14 -0.00 -0.03 -0.04 0.95 0.74 2g5xA1 ALA 158 H 0.09 0.60 -0.18 -0.55 8.40 8.36 2g5xA1 ALA 158 HA 0.09 -0.04 0.36 -0.75 4.34 4.00 2g5xA1 ALA 158 HB3 0.05 0.06 0.09 -0.04 1.41 1.56 2g5xA1 LYS 159 H 0.07 0.63 -0.17 -0.55 8.42 8.39 2g5xA1 LYS 159 HA 0.04 -0.01 0.42 -0.75 4.32 4.02 2g5xA1 LYS 159 HB2 0.07 0.12 0.15 -0.04 1.87 2.17 2g5xA1 LYS 159 HB3 0.06 -0.05 -0.01 -0.04 1.79 1.74 2g5xA1 LYS 159 HG2 0.04 -0.09 0.04 -0.04 1.46 1.40 2g5xA1 LYS 159 HG3 0.04 0.24 0.10 -0.04 1.46 1.80 2g5xA1 LYS 159 HD2 0.03 0.08 0.00 -0.04 1.69 1.76 2g5xA1 LYS 159 HD3 0.04 -0.02 -0.04 -0.04 1.68 1.62 2g5xA1 LYS 159 HE2 0.04 -0.00 -0.04 -0.04 2.99 2.95 2g5xA1 LYS 159 HE3 0.03 -0.06 -0.02 -0.04 2.99 2.90 2g5xA1 PHE 160 H 0.17 0.56 -0.14 -0.55 8.34 8.37 2g5xA1 PHE 160 HA -0.01 -0.02 0.34 -0.75 4.62 4.18 2g5xA1 PHE 160 HB2 -0.10 0.12 -0.02 -0.04 3.15 3.11 2g5xA1 PHE 160 HB3 -0.15 0.12 0.11 -0.04 3.06 3.09 2g5xA1 PHE 160 HD2 -0.29 -0.00 -0.15 -0.04 7.28 6.80 2g5xA1 PHE 160 HE2 -0.41 -0.01 -0.11 -0.04 7.38 6.81 2g5xA1 PHE 160 HZ -0.27 0.01 -0.10 -0.04 7.32 6.92 2g5xA1 ALA 161 H 0.06 0.58 -0.24 -0.55 8.40 8.26 2g5xA1 ALA 161 HA -0.29 0.01 0.38 -0.75 4.34 3.68 2g5xA1 ALA 161 HB3 0.16 0.02 0.02 -0.04 1.41 1.57 2g5xA1 LEU 162 H -0.01 0.64 -0.12 -0.55 8.37 8.34 2g5xA1 LEU 162 HA 0.02 -0.03 0.42 -0.75 4.35 4.01 2g5xA1 LEU 162 HB2 0.02 0.16 0.13 -0.04 1.64 1.90 2g5xA1 LEU 162 HB3 0.04 -0.07 -0.05 -0.04 1.64 1.52 2g5xA1 LEU 162 HG 0.02 0.09 0.01 -0.04 1.64 1.72 2g5xA1 LEU 162 HD13 0.04 -0.03 -0.26 -0.04 0.93 0.65 2g5xA1 LEU 162 HD23 0.15 -0.04 -0.02 -0.04 0.89 0.95 2g5xA1 ILE 163 H -0.03 0.59 -0.17 -0.55 8.25 8.09 2g5xA1 ILE 163 HA -0.00 0.01 0.40 -0.75 4.18 3.84 2g5xA1 ILE 163 HB -0.01 0.11 0.09 -0.04 1.89 2.04 2g5xA1 ILE 163 HG12 -0.00 0.03 -0.04 -0.04 1.49 1.44 2g5xA1 ILE 163 HG13 0.01 0.14 0.05 -0.04 1.21 1.37 2g5xA1 ILE 163 HG23 0.04 -0.04 -0.10 -0.04 0.93 0.80 2g5xA1 ILE 163 HD13 0.05 -0.05 -0.15 -0.04 0.88 0.69 2g5xA1 SER 164 H -0.19 0.53 -0.21 -0.55 8.46 8.05 2g5xA1 SER 164 HA 0.05 0.01 0.37 -0.75 4.49 4.16 2g5xA1 SER 164 HB2 -0.29 0.11 0.14 -0.04 3.95 3.88 2g5xA1 SER 164 HB3 -0.05 -0.06 -0.03 -0.04 3.93 3.75 2g5xA1 ILE 165 H -0.00 0.62 -0.14 -0.55 8.25 8.17 2g5xA1 ILE 165 HA 0.16 -0.03 0.47 -0.75 4.18 4.02 2g5xA1 ILE 165 HB 0.05 0.11 0.19 -0.04 1.89 2.20 2g5xA1 ILE 165 HG12 -0.00 -0.08 0.09 -0.04 1.49 1.46 2g5xA1 ILE 165 HG13 -0.02 0.22 0.11 -0.04 1.21 1.47 2g5xA1 ILE 165 HG23 0.03 -0.02 -0.06 -0.04 0.93 0.84 2g5xA1 ILE 165 HD13 -0.26 -0.03 -0.06 -0.04 0.88 0.50 2g5xA1 GLN 166 H 0.06 0.55 -0.16 -0.55 8.47 8.38 2g5xA1 GLN 166 HA 0.07 -0.03 0.40 -0.75 4.36 4.04 2g5xA1 GLN 166 HB2 0.02 0.12 0.17 -0.04 2.15 2.43 2g5xA1 GLN 166 HB3 0.02 -0.04 -0.03 -0.04 2.02 1.92 2g5xA1 GLN 166 HG2 0.07 0.04 0.09 -0.04 2.40 2.56 2g5xA1 GLN 166 HG3 -0.01 0.02 0.00 -0.04 2.39 2.37 2g5xA1 GLN 166 HE21 -0.05 -0.08 -0.04 -0.04 6.97 6.77 2g5xA1 GLN 166 HE22 -0.05 0.12 0.04 -0.04 7.69 7.76 2g5xA1 MET 167 H 0.10 0.60 -0.06 -0.55 8.47 8.57 2g5xA1 MET 167 HA 0.17 0.05 0.43 -0.75 4.52 4.42 2g5xA1 MET 167 HB2 0.21 0.08 0.04 -0.04 2.15 2.45 2g5xA1 MET 167 HB3 0.24 -0.02 0.01 -0.04 2.03 2.22 2g5xA1 MET 167 HG2 0.11 -0.03 -0.03 -0.04 2.63 2.64 2g5xA1 MET 167 HG3 0.08 0.06 0.06 -0.04 2.56 2.72 2g5xA1 MET 167 HE3 0.19 0.02 -0.17 -0.04 2.10 2.09 2g5xA1 VAL 168 H 0.15 0.41 -0.29 -0.55 8.24 7.96 2g5xA1 VAL 168 HA 0.16 0.20 0.91 -0.75 4.13 4.64 2g5xA1 VAL 168 HB 0.28 0.04 0.11 -0.04 2.12 2.52 2g5xA1 VAL 168 HG13 0.18 -0.00 -0.17 -0.04 0.97 0.93 2g5xA1 VAL 168 HG23 0.40 -0.02 -0.11 -0.04 0.95 1.18 2g5xA1 ALA 169 H 0.06 0.22 0.18 -0.55 8.40 8.32 2g5xA1 ALA 169 HA -0.27 0.11 0.47 -0.75 4.34 3.89 2g5xA1 ALA 169 HB3 -0.05 0.03 0.17 -0.04 1.41 1.51 2g5xA1 GLU 170 H 0.00 0.62 0.17 -0.55 8.60 8.84 2g5xA1 GLU 170 HA -0.07 0.05 0.46 -0.75 4.29 3.97 2g5xA1 GLU 170 HB2 0.05 0.22 0.17 -0.04 2.09 2.49 2g5xA1 GLU 170 HB3 0.05 -0.07 0.05 -0.04 1.99 1.98 2g5xA1 GLU 170 HG2 0.07 0.09 -0.02 -0.04 2.34 2.44 2g5xA1 GLU 170 HG3 0.08 -0.07 -0.03 -0.04 2.34 2.28 2g5xA1 ALA 171 H 0.02 0.25 -0.45 -0.55 8.40 7.67 2g5xA1 ALA 171 HA 0.06 -0.06 0.31 -0.75 4.34 3.90 2g5xA1 ALA 171 HB3 0.06 0.03 -0.12 -0.04 1.41 1.34 2g5xA1 ALA 172 H -0.15 0.32 -0.45 -0.55 8.40 7.57 2g5xA1 ALA 172 HA -0.20 0.01 0.37 -0.75 4.34 3.76 2g5xA1 ALA 172 HB3 -0.22 0.04 0.06 -0.04 1.41 1.25 2g5xA1 ARG 173 H -0.32 0.39 -0.21 -0.55 8.46 7.77 2g5xA1 ARG 173 HA -0.46 0.07 0.46 -0.75 4.34 3.65 2g5xA1 ARG 173 HB2 -0.52 0.04 0.19 -0.04 1.90 1.57 2g5xA1 ARG 173 HB3 -1.58 -0.06 0.03 -0.04 1.80 0.15 2g5xA1 ARG 173 HG2 -2.00 0.00 -0.03 -0.04 1.67 -0.40 2g5xA1 ARG 173 HG3 -0.83 0.13 0.03 -0.04 1.67 0.97 2g5xA1 ARG 173 HD2 -0.57 -0.07 -0.08 -0.04 3.22 2.46 2g5xA1 ARG 173 HD3 -1.46 -0.07 0.01 -0.04 3.22 1.66 2g5xA1 PHE 174 H 0.01 0.58 -0.08 -0.55 8.34 8.30 2g5xA1 PHE 174 HA -0.03 0.21 1.07 -0.75 4.62 5.11 2g5xA1 PHE 174 HB2 -0.03 0.01 0.16 -0.04 3.15 3.25 2g5xA1 PHE 174 HB3 0.03 -0.14 0.02 -0.04 3.06 2.93 2g5xA1 PHE 174 HD2 -0.11 0.16 0.01 -0.04 7.28 7.30 2g5xA1 PHE 174 HE2 -0.12 0.00 -0.04 -0.04 7.38 7.18 2g5xA1 PHE 174 HZ 0.10 -0.00 -0.06 -0.04 7.32 7.31 2g5xA1 LYS 175 H 0.06 0.58 0.25 -0.55 8.42 8.75 2g5xA1 LYS 175 HA 0.01 0.10 0.40 -0.75 4.32 4.07 2g5xA1 LYS 175 HB2 0.07 0.15 0.12 -0.04 1.87 2.17 2g5xA1 LYS 175 HB3 0.03 -0.10 0.02 -0.04 1.79 1.70 2g5xA1 LYS 175 HG2 -0.03 0.05 -0.28 -0.04 1.46 1.16 2g5xA1 LYS 175 HG3 -0.01 0.01 -0.13 -0.04 1.46 1.29 2g5xA1 LYS 175 HD2 -0.05 -0.01 -0.01 -0.04 1.69 1.58 2g5xA1 LYS 175 HD3 -0.06 0.09 -0.01 -0.04 1.68 1.66 2g5xA1 LYS 175 HE2 -0.02 0.02 -0.01 -0.04 2.99 2.94 2g5xA1 LYS 175 HE3 -0.01 -0.10 0.02 -0.04 2.99 2.86 2g5xA1 TYR 176 H 0.27 0.27 -0.18 -0.55 8.29 8.11 2g5xA1 TYR 176 HA 0.04 0.04 0.38 -0.75 4.56 4.26 2g5xA1 TYR 176 HB2 0.07 0.23 0.10 -0.04 3.06 3.42 2g5xA1 TYR 176 HB3 0.05 0.02 0.03 -0.04 2.98 3.04 2g5xA1 TYR 176 HD2 0.01 0.04 -0.26 -0.04 7.15 6.90 2g5xA1 TYR 176 HE2 0.02 -0.02 -0.07 -0.04 6.85 6.74 2g5xA1 ILE 177 H 0.22 0.27 -0.30 -0.55 8.25 7.90 2g5xA1 ILE 177 HA 0.08 0.00 0.46 -0.75 4.18 3.97 2g5xA1 ILE 177 HB 0.14 0.26 0.02 -0.04 1.89 2.28 2g5xA1 ILE 177 HG12 0.08 -0.06 -0.05 -0.04 1.49 1.41 2g5xA1 ILE 177 HG13 0.07 -0.05 -0.03 -0.04 1.21 1.16 2g5xA1 ILE 177 HG23 0.11 -0.02 -0.18 -0.04 0.93 0.80 2g5xA1 ILE 177 HD13 -0.17 0.03 -0.05 -0.04 0.88 0.65 2g5xA1 GLU 178 H 0.06 0.57 -0.05 -0.55 8.60 8.64 2g5xA1 GLU 178 HA 0.14 0.01 0.41 -0.75 4.29 4.09 2g5xA1 GLU 178 HB2 -0.05 0.22 0.09 -0.04 2.09 2.31 2g5xA1 GLU 178 HB3 -0.01 0.12 0.20 -0.04 1.99 2.27 2g5xA1 GLU 178 HG2 0.02 -0.08 -0.31 -0.04 2.34 1.93 2g5xA1 GLU 178 HG3 -0.07 -0.05 -0.02 -0.04 2.34 2.15 2g5xA1 ASP 179 H -0.03 0.60 -0.24 -0.55 8.40 8.18 2g5xA1 ASP 179 HA -0.04 -0.02 0.35 -0.75 4.63 4.17 2g5xA1 ASP 179 HB2 -0.16 0.00 0.16 -0.04 2.71 2.67 2g5xA1 ASP 179 HB3 -0.17 0.00 -0.03 -0.04 2.70 2.46 2g5xA1 GLN 180 H -0.14 0.38 -0.29 -0.55 8.47 7.87 2g5xA1 GLN 180 HA -0.27 0.01 0.43 -0.75 4.36 3.77 2g5xA1 GLN 180 HB2 -0.03 0.14 0.13 -0.04 2.15 2.34 2g5xA1 GLN 180 HB3 -0.29 -0.06 -0.03 -0.04 2.02 1.61 2g5xA1 GLN 180 HG2 -0.41 0.31 0.08 -0.04 2.40 2.34 2g5xA1 GLN 180 HG3 -0.04 -0.06 -0.01 -0.04 2.39 2.23 2g5xA1 GLN 180 HE21 -0.22 -0.03 -0.04 -0.04 6.97 6.64 2g5xA1 GLN 180 HE22 -0.68 0.04 -0.05 -0.04 7.69 6.96 2g5xA1 VAL 181 H 0.01 0.59 -0.18 -0.55 8.24 8.11 2g5xA1 VAL 181 HA 0.00 -0.03 0.36 -0.75 4.13 3.70 2g5xA1 VAL 181 HB 0.13 0.18 0.14 -0.04 2.12 2.53 2g5xA1 VAL 181 HG13 -0.29 -0.02 -0.13 -0.04 0.97 0.48 2g5xA1 VAL 181 HG23 0.26 0.05 -0.03 -0.04 0.95 1.19 2g5xA1 ILE 182 H 0.00 0.63 -0.09 -0.55 8.25 8.24 2g5xA1 ILE 182 HA -0.03 -0.03 0.38 -0.75 4.18 3.75 2g5xA1 ILE 182 HB -0.00 0.11 0.14 -0.04 1.89 2.10 2g5xA1 ILE 182 HG12 0.17 -0.09 0.05 -0.04 1.49 1.57 2g5xA1 ILE 182 HG13 0.18 0.20 0.05 -0.04 1.21 1.59 2g5xA1 ILE 182 HG23 0.03 -0.03 -0.11 -0.04 0.93 0.77 2g5xA1 ILE 182 HD13 0.04 -0.02 -0.07 -0.04 0.88 0.79 2g5xA1 ASN 183 H -0.11 0.53 -0.18 -0.55 8.53 8.22 2g5xA1 ASN 183 HA -0.03 0.09 0.62 -0.75 4.76 4.68 2g5xA1 ASN 183 HB2 -0.14 0.09 0.11 -0.04 2.88 2.90 2g5xA1 ASN 183 HB3 -0.09 -0.05 0.04 -0.04 2.79 2.65 2g5xA1 ASN 183 HD21 -0.05 -0.08 0.01 -0.04 7.03 6.86 2g5xA1 ASN 183 HD22 -0.10 0.54 0.12 -0.04 7.74 8.27 2g5xA1 ARG 184 H -0.26 0.48 -0.10 -0.55 8.46 8.03 2g5xA1 ARG 184 HA -0.09 0.18 0.99 -0.75 4.34 4.67 2g5xA1 ARG 184 HB2 -1.07 0.09 -0.05 -0.04 1.90 0.83 2g5xA1 ARG 184 HB3 -0.29 -0.05 0.02 -0.04 1.80 1.45 2g5xA1 ARG 184 HG2 -0.17 0.00 -0.11 -0.04 1.67 1.35 2g5xA1 ARG 184 HG3 -0.26 -0.08 -0.25 -0.04 1.67 1.03 2g5xA1 ARG 184 HD2 -0.20 -0.04 -0.03 -0.04 3.22 2.91 2g5xA1 ARG 184 HD3 -0.55 0.03 -0.02 -0.04 3.22 2.63 2g5xA1 GLY 185 H -0.09 0.58 0.04 -0.55 8.43 8.42 2g5xA1 GLY 185 HA2 0.21 0.35 0.90 -0.51 4.01 4.97 2g5xA1 GLY 185 HA3 0.25 -0.05 0.33 -0.51 4.01 4.03 2g5xA1 MET 186 H 0.03 0.17 -0.05 -0.55 8.47 8.07 2g5xA1 MET 186 HA -0.08 0.10 0.72 -0.75 4.52 4.51 2g5xA1 MET 186 HB2 0.05 0.04 0.17 -0.04 2.15 2.36 2g5xA1 MET 186 HB3 -0.38 0.03 0.08 -0.04 2.03 1.73 2g5xA1 MET 186 HG2 -0.05 0.13 0.07 -0.04 2.63 2.74 2g5xA1 MET 186 HG3 0.00 -0.02 0.09 -0.04 2.56 2.60 2g5xA1 MET 186 HE3 -0.30 -0.00 -0.22 -0.04 2.10 1.54 2g5xA1 TYR 187 H 0.19 0.09 0.03 -0.55 8.29 8.05 2g5xA1 TYR 187 HA 0.02 0.19 0.92 -0.75 4.56 4.94 2g5xA1 TYR 187 HB2 0.01 0.03 0.03 -0.04 3.06 3.09 2g5xA1 TYR 187 HB3 0.01 0.01 0.14 -0.04 2.98 3.10 2g5xA1 TYR 187 HD2 0.01 0.00 0.04 -0.04 7.15 7.16 2g5xA1 TYR 187 HE2 0.01 -0.00 0.04 -0.04 6.85 6.86 2g5xA1 SER 188 H 0.12 0.03 -0.18 -0.55 8.46 7.88 2g5xA1 SER 188 HA 0.09 0.16 0.78 -0.75 4.49 4.77 2g5xA1 SER 188 HB2 0.09 0.00 -0.15 -0.04 3.95 3.85 2g5xA1 SER 188 HB3 0.10 0.00 0.03 -0.04 3.93 4.02 2g5xA1 SER 189 H 0.10 0.18 0.23 -0.55 8.46 8.43 2g5xA1 SER 189 HA 0.15 0.39 1.10 -0.75 4.49 5.37 2g5xA1 SER 189 HB2 0.03 0.00 0.04 -0.04 3.95 3.98 2g5xA1 SER 189 HB3 0.05 0.00 -0.11 -0.04 3.93 3.83 2g5xA1 PHE 190 H -0.02 0.47 0.35 -0.55 8.34 8.59 2g5xA1 PHE 190 HA 0.02 0.10 0.62 -0.75 4.62 4.60 2g5xA1 PHE 190 HB2 0.01 -0.02 0.08 -0.04 3.15 3.19 2g5xA1 PHE 190 HB3 0.01 0.15 -0.24 -0.04 3.06 2.94 2g5xA1 PHE 190 HD2 0.01 0.13 -0.36 -0.04 7.28 7.02 2g5xA1 PHE 190 HE2 0.00 -0.03 -0.23 -0.04 7.38 7.08 2g5xA1 PHE 190 HZ 0.01 0.00 -0.25 -0.04 7.32 7.04 2g5xA1 GLU 191 H 0.14 0.18 0.14 -0.55 8.60 8.52 2g5xA1 GLU 191 HA -0.18 0.31 0.81 -0.75 4.29 4.48 2g5xA1 GLU 191 HB2 0.03 -0.07 0.09 -0.04 2.09 2.11 2g5xA1 GLU 191 HB3 -0.02 0.18 0.14 -0.04 1.99 2.25 2g5xA1 GLU 191 HG2 -0.04 0.20 -0.36 -0.04 2.34 2.10 2g5xA1 GLU 191 HG3 0.00 -0.12 -0.22 -0.04 2.34 1.96 2g5xA1 ALA 192 H -0.12 0.26 0.12 -0.55 8.40 8.11 2g5xA1 ALA 192 HA 0.15 0.05 0.37 -0.75 4.34 4.15 2g5xA1 ALA 192 HB3 -0.02 -0.00 0.05 -0.04 1.41 1.39 2g5xA1 GLY 193 H 0.00 0.41 0.09 -0.55 8.43 8.39 2g5xA1 GLY 193 HA2 0.02 0.04 0.33 -0.51 4.01 3.90 2g5xA1 GLY 193 HA3 0.04 0.17 0.62 -0.51 4.01 4.33 2g5xA1 ALA 194 H 0.02 0.20 0.15 -0.55 8.40 8.22 2g5xA1 ALA 194 HA -0.00 0.07 0.42 -0.75 4.34 4.07 2g5xA1 ALA 194 HB3 0.01 0.04 0.09 -0.04 1.41 1.50 2g5xA1 ARG 195 H 0.03 0.15 -0.03 -0.55 8.46 8.06 2g5xA1 ARG 195 HA 0.06 0.12 0.44 -0.75 4.34 4.21 2g5xA1 ARG 195 HB2 0.03 0.02 0.11 -0.04 1.90 2.02 2g5xA1 ARG 195 HB3 0.05 0.04 0.07 -0.04 1.80 1.92 2g5xA1 ARG 195 HG2 0.11 -0.01 -0.13 -0.04 1.67 1.60 2g5xA1 ARG 195 HG3 0.07 0.03 0.05 -0.04 1.67 1.78 2g5xA1 ARG 195 HD2 0.01 0.02 0.02 -0.04 3.22 3.23 2g5xA1 ARG 195 HD3 0.04 0.01 -0.01 -0.04 3.22 3.22 2g5xA1 ILE 196 H 0.04 0.21 -0.22 -0.55 8.25 7.73 2g5xA1 ILE 196 HA -0.07 0.07 0.40 -0.75 4.18 3.82 2g5xA1 ILE 196 HB 0.04 0.19 -0.06 -0.04 1.89 2.02 2g5xA1 ILE 196 HG12 0.15 -0.03 -0.01 -0.04 1.49 1.55 2g5xA1 ILE 196 HG13 0.12 -0.09 0.02 -0.04 1.21 1.22 2g5xA1 ILE 196 HG23 -0.02 -0.00 -0.17 -0.04 0.93 0.69 2g5xA1 ILE 196 HD13 0.18 0.08 0.04 -0.04 0.88 1.13 2g5xA1 THR 197 H -0.02 0.31 -0.40 -0.55 8.28 7.62 2g5xA1 THR 197 HA -0.10 0.05 0.37 -0.75 4.39 3.96 2g5xA1 THR 197 HB -0.03 0.11 0.11 -0.04 4.32 4.46 2g5xA1 THR 197 HG23 -0.10 -0.02 -0.09 -0.04 1.22 0.96 2g5xA1 LEU 198 H 0.01 0.44 -0.20 -0.55 8.37 8.07 2g5xA1 LEU 198 HA 0.04 0.02 0.44 -0.75 4.35 4.10 2g5xA1 LEU 198 HB2 0.07 0.01 0.11 -0.04 1.64 1.78 2g5xA1 LEU 198 HB3 0.18 0.11 0.12 -0.04 1.64 2.01 2g5xA1 LEU 198 HG 0.38 0.01 -0.14 -0.04 1.64 1.84 2g5xA1 LEU 198 HD13 0.08 -0.01 0.03 -0.04 0.93 0.98 2g5xA1 LEU 198 HD23 0.03 -0.00 -0.02 -0.04 0.89 0.86 2g5xA1 LEU 199 H -0.06 0.46 -0.19 -0.55 8.37 8.03 2g5xA1 LEU 199 HA -0.97 0.01 0.36 -0.75 4.35 2.99 2g5xA1 LEU 199 HB2 -0.38 -0.03 0.07 -0.04 1.64 1.25 2g5xA1 LEU 199 HB3 -0.39 0.10 0.17 -0.04 1.64 1.49 2g5xA1 LEU 199 HG -1.21 0.04 -0.29 -0.04 1.64 0.14 2g5xA1 LEU 199 HD13 -0.67 0.02 -0.11 -0.04 0.93 0.13 2g5xA1 LEU 199 HD23 -0.38 0.00 -0.02 -0.04 0.89 0.45 2g5xA1 GLU 200 H -0.30 0.56 -0.18 -0.55 8.60 8.13 2g5xA1 GLU 200 HA -0.39 0.05 0.36 -0.75 4.29 3.56 2g5xA1 GLU 200 HB2 -0.12 0.11 0.15 -0.04 2.09 2.19 2g5xA1 GLU 200 HB3 -0.01 -0.05 -0.00 -0.04 1.99 1.88 2g5xA1 GLU 200 HG2 -0.19 -0.01 0.04 -0.04 2.34 2.13 2g5xA1 GLU 200 HG3 -0.32 0.14 0.06 -0.04 2.34 2.18 2g5xA1 ASN 201 H -0.03 0.38 -0.29 -0.55 8.53 8.03 2g5xA1 ASN 201 HA 0.11 -0.00 0.43 -0.75 4.76 4.55 2g5xA1 ASN 201 HB2 0.05 0.16 0.14 -0.04 2.88 3.19 2g5xA1 ASN 201 HB3 0.07 -0.07 0.08 -0.04 2.79 2.82 2g5xA1 ASN 201 HD21 -0.03 -0.10 -0.04 -0.04 7.03 6.82 2g5xA1 ASN 201 HD22 0.02 -0.01 0.00 -0.04 7.74 7.71 2g5xA1 ASN 202 H 0.03 0.46 -0.51 -0.55 8.53 7.97 2g5xA1 ASN 202 HA 0.12 0.06 0.73 -0.75 4.76 4.91 2g5xA1 ASN 202 HB2 -0.10 0.19 0.13 -0.04 2.88 3.06 2g5xA1 ASN 202 HB3 0.09 -0.13 0.18 -0.04 2.79 2.89 2g5xA1 ASN 202 HD21 0.21 -0.08 -0.05 -0.04 7.03 7.07 2g5xA1 ASN 202 HD22 0.17 0.50 0.03 -0.04 7.74 8.40 2g5xA1 TRP 203 H 0.41 0.43 -0.38 -0.55 7.97 7.88 2g5xA1 TRP 203 HA 0.10 0.08 0.39 -0.75 4.62 4.44 2g5xA1 TRP 203 HB2 0.23 0.12 0.16 -0.04 3.23 3.70 2g5xA1 TRP 203 HB3 0.05 -0.05 0.12 -0.04 3.23 3.31 2g5xA1 TRP 203 HD1 -0.52 -0.03 0.10 -0.04 7.22 6.73 2g5xA1 TRP 203 HE1 -0.34 0.57 0.19 -0.04 10.20 10.58 2g5xA1 TRP 203 HE3 -0.02 -0.05 -0.01 -0.04 7.59 7.47 2g5xA1 TRP 203 HZ2 -0.24 0.08 -0.44 -0.04 7.44 6.80 2g5xA1 TRP 203 HZ3 -0.08 0.06 0.00 -0.04 7.13 7.07 2g5xA1 TRP 203 HH2 -0.22 0.00 -0.22 -0.04 7.19 6.71 2g5xA1 SER 204 H 0.07 0.17 -0.10 -0.55 8.46 8.05 2g5xA1 SER 204 HA -0.51 0.12 0.46 -0.75 4.49 3.81 2g5xA1 SER 204 HB2 -0.19 0.03 0.11 -0.04 3.95 3.86 2g5xA1 SER 204 HB3 -0.06 -0.02 0.10 -0.04 3.93 3.90 2g5xA1 LYS 205 H 0.01 0.11 -0.18 -0.55 8.42 7.81 2g5xA1 LYS 205 HA -0.02 0.06 0.43 -0.75 4.32 4.03 2g5xA1 LYS 205 HB2 0.07 0.07 0.12 -0.04 1.87 2.08 2g5xA1 LYS 205 HB3 0.04 0.00 0.02 -0.04 1.79 1.82 2g5xA1 LYS 205 HG2 0.01 0.02 0.03 -0.04 1.46 1.48 2g5xA1 LYS 205 HG3 0.02 -0.04 0.05 -0.04 1.46 1.45 2g5xA1 LYS 205 HD2 0.07 0.01 0.02 -0.04 1.69 1.75 2g5xA1 LYS 205 HD3 0.05 0.00 0.01 -0.04 1.68 1.70 2g5xA1 LYS 205 HE2 0.03 0.00 0.01 -0.04 2.99 3.00 2g5xA1 LYS 205 HE3 0.04 -0.01 0.00 -0.04 2.99 2.98 2g5xA1 ILE 206 H 0.05 0.51 -0.17 -0.55 8.25 8.09 2g5xA1 ILE 206 HA 0.06 0.01 0.51 -0.75 4.18 4.00 2g5xA1 ILE 206 HB 0.14 0.13 0.15 -0.04 1.89 2.28 2g5xA1 ILE 206 HG12 0.10 -0.09 0.00 -0.04 1.49 1.46 2g5xA1 ILE 206 HG13 0.10 0.02 0.05 -0.04 1.21 1.34 2g5xA1 ILE 206 HG23 0.21 -0.01 -0.03 -0.04 0.93 1.06 2g5xA1 ILE 206 HD13 0.07 -0.01 -0.09 -0.04 0.88 0.80 2g5xA1 SER 207 H -0.10 0.54 -0.02 -0.55 8.46 8.33 2g5xA1 SER 207 HA 0.04 0.03 0.44 -0.75 4.49 4.25 2g5xA1 SER 207 HB2 -0.56 0.00 0.26 -0.04 3.95 3.62 2g5xA1 SER 207 HB3 -0.35 0.00 0.21 -0.04 3.93 3.74 2g5xA1 GLU 208 H -0.06 0.49 -0.23 -0.55 8.60 8.25 2g5xA1 GLU 208 HA 0.01 0.01 0.35 -0.75 4.29 3.90 2g5xA1 GLU 208 HB2 -0.02 0.16 0.13 -0.04 2.09 2.32 2g5xA1 GLU 208 HB3 -0.03 -0.07 -0.00 -0.04 1.99 1.85 2g5xA1 GLU 208 HG2 -0.10 -0.06 0.05 -0.04 2.34 2.18 2g5xA1 GLU 208 HG3 -0.11 0.36 0.09 -0.04 2.34 2.64 2g5xA1 GLN 209 H 0.01 0.34 -0.26 -0.55 8.47 8.02 2g5xA1 GLN 209 HA -0.01 0.01 0.48 -0.75 4.36 4.09 2g5xA1 GLN 209 HB2 -0.07 0.16 0.16 -0.04 2.15 2.35 2g5xA1 GLN 209 HB3 -0.09 -0.04 0.03 -0.04 2.02 1.87 2g5xA1 GLN 209 HG2 -0.01 0.18 0.12 -0.04 2.40 2.66 2g5xA1 GLN 209 HG3 -0.02 -0.05 0.04 -0.04 2.39 2.32 2g5xA1 GLN 209 HE21 -0.01 -0.03 -0.05 -0.04 6.97 6.84 2g5xA1 GLN 209 HE22 -0.01 0.04 -0.03 -0.04 7.69 7.65 2g5xA1 TYR 210 H 0.11 0.43 -0.11 -0.55 8.29 8.16 2g5xA1 TYR 210 HA -0.04 0.26 0.49 -0.75 4.56 4.52 2g5xA1 TYR 210 HB2 -0.08 0.11 0.19 -0.04 3.06 3.23 2g5xA1 TYR 210 HB3 -0.16 -0.02 -0.04 -0.04 2.98 2.72 2g5xA1 TYR 210 HD2 -0.04 0.01 0.02 -0.04 7.15 7.10 2g5xA1 TYR 210 HE2 -0.01 0.19 0.12 -0.04 6.85 7.12 2g5xA1 HIS 211 H 0.18 0.37 -0.44 -0.55 8.41 7.98 2g5xA1 HIS 211 HA 0.03 0.04 0.46 -0.75 4.63 4.40 2g5xA1 HIS 211 HB2 -0.01 0.22 0.11 -0.04 3.26 3.54 2g5xA1 HIS 211 HB3 -0.01 -0.09 0.05 -0.04 3.20 3.11 2g5xA1 HIS 211 HD2 -0.05 0.27 -0.10 -0.04 6.97 7.04 2g5xA1 HIS 211 HE1 -0.02 -0.02 -0.06 -0.04 7.75 7.61 2g5xA1 LYS 212 H 0.05 0.46 -0.39 -0.55 8.42 7.99 2g5xA1 LYS 212 HA 0.03 0.13 0.90 -0.75 4.32 4.63 2g5xA1 LYS 212 HB2 -0.00 0.10 0.11 -0.04 1.87 2.03 2g5xA1 LYS 212 HB3 0.00 -0.09 0.10 -0.04 1.79 1.76 2g5xA1 LYS 212 HG2 0.02 -0.02 -0.08 -0.04 1.46 1.34 2g5xA1 LYS 212 HG3 0.03 0.15 -0.03 -0.04 1.46 1.58 2g5xA1 LYS 212 HD2 -0.00 -0.05 0.01 -0.04 1.69 1.61 2g5xA1 LYS 212 HD3 -0.00 -0.05 -0.02 -0.04 1.68 1.57 2g5xA1 LYS 212 HE2 -0.00 0.03 -0.07 -0.04 2.99 2.91 2g5xA1 LYS 212 HE3 -0.01 0.04 0.01 -0.04 2.99 2.99 2g5xA1 SER 213 H -0.01 0.45 0.01 -0.55 8.46 8.36 2g5xA1 SER 213 HA -0.01 0.01 0.47 -0.75 4.49 4.21 2g5xA1 SER 213 HB2 -0.03 0.15 -0.09 -0.04 3.95 3.93 2g5xA1 SER 213 HB3 -0.07 0.02 -0.17 -0.04 3.93 3.68 2g5xA1 CYS 214 H -0.00 0.12 0.12 -0.55 8.50 8.19 2g5xA1 CYS 214 HA 0.11 0.26 0.74 -0.75 4.58 4.94 2g5xA1 CYS 214 HB2 0.03 -0.04 0.08 -0.04 2.97 3.00 2g5xA1 CYS 214 HB3 0.08 0.03 0.14 -0.04 2.97 3.18 2g5xA1 LYS 215 H -0.04 0.11 -0.19 -0.55 8.42 7.74 2g5xA1 LYS 215 HA -0.04 0.13 0.81 -0.75 4.32 4.46 2g5xA1 LYS 215 HB2 -0.02 0.00 0.13 -0.04 1.87 1.94 2g5xA1 LYS 215 HB3 -0.02 -0.02 0.01 -0.04 1.79 1.72 2g5xA1 LYS 215 HG2 0.01 0.06 -0.04 -0.04 1.46 1.45 2g5xA1 LYS 215 HG3 0.01 -0.05 -0.31 -0.04 1.46 1.07 2g5xA1 LYS 215 HD2 0.00 -0.00 -0.02 -0.04 1.69 1.63 2g5xA1 LYS 215 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 2g5xA1 LYS 215 HE2 0.01 0.01 -0.03 -0.04 2.99 2.95 2g5xA1 LYS 215 HE3 0.01 0.01 -0.04 -0.04 2.99 2.93 2g5xA1 LEU 216 H -0.15 0.16 -0.06 -0.55 8.37 7.77 2g5xA1 LEU 216 HA -0.10 0.15 0.47 -0.75 4.35 4.11 2g5xA1 LEU 216 HB2 -0.13 -0.09 0.01 -0.04 1.64 1.39 2g5xA1 LEU 216 HB3 -0.12 0.05 -0.04 -0.04 1.64 1.49 2g5xA1 LEU 216 HG -0.63 0.02 -0.09 -0.04 1.64 0.91 2g5xA1 LEU 216 HD13 -0.31 -0.00 -0.05 -0.04 0.93 0.53 2g5xA1 LEU 216 HD23 -0.32 -0.01 -0.40 -0.04 0.89 0.12 2g5xA1 GLY 217 H -0.04 -0.05 -0.06 -0.55 8.43 7.74 2g5xA1 GLY 217 HA2 -0.01 -0.10 0.34 -0.51 4.01 3.73 2g5xA1 GLY 217 HA3 -0.02 0.24 0.59 -0.51 4.01 4.32 2g5xA1 GLY 218 H 0.00 0.03 0.12 -0.55 8.43 8.04 2g5xA1 GLY 218 HA2 0.02 0.02 0.35 -0.51 4.01 3.88 2g5xA1 GLY 218 HA3 0.00 -0.04 0.33 -0.51 4.01 3.80 2g5xA1 GLY 219 H 0.02 0.55 0.08 -0.55 8.43 8.53 2g5xA1 GLY 219 HA2 -0.02 0.16 0.62 -0.51 4.01 4.26 2g5xA1 GLY 219 HA3 0.00 -0.01 0.38 -0.51 4.01 3.87 2g5xA1 GLN 220 H -0.02 0.17 0.14 -0.55 8.47 8.21 2g5xA1 GLN 220 HA -0.20 0.08 0.43 -0.75 4.36 3.91 2g5xA1 GLN 220 HB2 -0.12 0.02 0.11 -0.04 2.15 2.12 2g5xA1 GLN 220 HB3 -0.06 -0.01 0.11 -0.04 2.02 2.01 2g5xA1 GLN 220 HG2 -1.53 -0.01 -0.24 -0.04 2.40 0.58 2g5xA1 GLN 220 HG3 -0.45 -0.01 0.04 -0.04 2.39 1.93 2g5xA1 GLN 220 HE21 0.02 0.01 -0.03 -0.04 6.97 6.93 2g5xA1 GLN 220 HE22 -0.18 -0.03 -0.03 -0.04 7.69 7.41 2g5xA1 PHE 221 H 0.09 0.08 -0.17 -0.55 8.34 7.79 2g5xA1 PHE 221 HA -0.05 0.19 0.82 -0.75 4.62 4.83 2g5xA1 PHE 221 HB2 -0.01 0.05 -0.08 -0.04 3.15 3.07 2g5xA1 PHE 221 HB3 -0.06 -0.07 0.00 -0.04 3.06 2.89 2g5xA1 PHE 221 HD2 -0.05 -0.04 -0.06 -0.04 7.28 7.09 2g5xA1 PHE 221 HE2 -0.03 0.02 -0.08 -0.04 7.38 7.24 2g5xA1 PHE 221 HZ -0.02 0.00 -0.31 -0.04 7.32 6.95 2g5xA1 THR 222 H 0.09 0.10 0.10 -0.55 8.28 8.01 2g5xA1 THR 222 HA 0.03 0.16 0.50 -0.75 4.39 4.34 2g5xA1 THR 222 HB 0.03 -0.02 0.16 -0.04 4.32 4.46 2g5xA1 THR 222 HG23 0.01 0.05 0.04 -0.04 1.22 1.29 2g5xA1 GLU 223 H 0.04 0.17 0.14 -0.55 8.60 8.40 2g5xA1 GLU 223 HA 0.04 0.17 0.30 -0.75 4.29 4.05 2g5xA1 GLU 223 HB2 0.02 -0.04 0.08 -0.04 2.09 2.11 2g5xA1 GLU 223 HB3 0.04 -0.00 0.09 -0.04 1.99 2.08 2g5xA1 GLU 223 HG2 0.05 0.07 -0.15 -0.04 2.34 2.28 2g5xA1 GLU 223 HG3 0.03 -0.00 0.04 -0.04 2.34 2.36 2g5xA1 GLU 224 H 0.07 0.02 -0.17 -0.55 8.60 7.96 2g5xA1 GLU 224 HA 0.12 0.19 0.44 -0.75 4.29 4.28 2g5xA1 GLU 224 HB2 0.13 -0.08 0.04 -0.04 2.09 2.14 2g5xA1 GLU 224 HB3 0.22 0.08 -0.02 -0.04 1.99 2.22 2g5xA1 GLU 224 HG2 0.10 0.06 0.00 -0.04 2.34 2.46 2g5xA1 GLU 224 HG3 0.09 0.08 -0.01 -0.04 2.34 2.45 2g5xA1 GLU 225 H -0.01 -0.03 -0.27 -0.55 8.60 7.75 2g5xA1 GLU 225 HA -0.36 0.05 0.39 -0.75 4.29 3.62 2g5xA1 GLU 225 HB2 -0.03 -0.06 0.08 -0.04 2.09 2.04 2g5xA1 GLU 225 HB3 -0.21 0.07 -0.05 -0.04 1.99 1.75 2g5xA1 GLU 225 HG2 -1.12 0.05 0.00 -0.04 2.34 1.22 2g5xA1 GLU 225 HG3 -0.55 -0.05 0.01 -0.04 2.34 1.71 2g5xA1 MET 226 H 0.08 0.28 -0.51 -0.55 8.47 7.77 2g5xA1 MET 226 HA 0.17 0.11 0.46 -0.75 4.52 4.51 2g5xA1 MET 226 HB2 0.09 0.04 -0.02 -0.04 2.15 2.22 2g5xA1 MET 226 HB3 0.13 0.01 0.06 -0.04 2.03 2.20 2g5xA1 MET 226 HG2 0.09 -0.02 -0.12 -0.04 2.63 2.54 2g5xA1 MET 226 HG3 0.13 0.07 -0.22 -0.04 2.56 2.50 2g5xA1 MET 226 HE3 0.04 0.02 -0.31 -0.04 2.10 1.81 2g5xA1 LYS 227 H 0.16 0.23 -0.52 -0.55 8.42 7.73 2g5xA1 LYS 227 HA 0.22 0.06 0.47 -0.75 4.32 4.32 2g5xA1 LYS 227 HB2 0.13 0.01 0.20 -0.04 1.87 2.17 2g5xA1 LYS 227 HB3 0.11 -0.13 0.19 -0.04 1.79 1.92 2g5xA1 LYS 227 HG2 0.06 -0.06 0.01 -0.04 1.46 1.43 2g5xA1 LYS 227 HG3 0.06 0.15 -0.00 -0.04 1.46 1.62 2g5xA1 LYS 227 HD2 0.14 0.03 0.02 -0.04 1.69 1.85 2g5xA1 LYS 227 HD3 0.09 -0.11 -0.00 -0.04 1.68 1.61 2g5xA1 LYS 227 HE2 0.05 -0.03 0.01 -0.04 2.99 2.98 2g5xA1 LYS 227 HE3 0.09 0.12 0.03 -0.04 2.99 3.18 2g5xA1 LEU 228 H -0.09 0.19 0.31 -0.55 8.37 8.24 2g5xA1 LEU 228 HA -0.13 0.05 0.81 -0.75 4.35 4.33 2g5xA1 LEU 228 HB2 -0.40 -0.03 0.07 -0.04 1.64 1.24 2g5xA1 LEU 228 HB3 -0.15 0.14 0.12 -0.04 1.64 1.71 2g5xA1 LEU 228 HG 0.14 0.22 0.10 -0.04 1.64 2.06 2g5xA1 LEU 228 HD13 0.05 -0.02 0.01 -0.04 0.93 0.93 2g5xA1 LEU 228 HD23 -0.22 -0.03 -0.08 -0.04 0.89 0.51 2g5xA1 GLY 229 H -0.18 0.69 0.28 -0.55 8.43 8.67 2g5xA1 GLY 229 HA2 -0.11 0.10 0.82 -0.51 4.01 4.31 2g5xA1 GLY 229 HA3 -0.12 0.07 0.29 -0.51 4.01 3.75 2g5xA1 LEU 230 H -0.12 0.22 0.17 -0.55 8.37 8.09 2g5xA1 LEU 230 HA -0.04 0.23 0.63 -0.75 4.35 4.42 2g5xA1 LEU 230 HB2 -0.08 0.08 -0.20 -0.04 1.64 1.39 2g5xA1 LEU 230 HB3 -0.14 -0.13 -0.08 -0.04 1.64 1.25 2g5xA1 LEU 230 HG 0.20 0.03 -0.36 -0.04 1.64 1.47 2g5xA1 LEU 230 HD13 0.07 0.05 -0.17 -0.04 0.93 0.83 2g5xA1 LEU 230 HD23 -0.37 -0.03 -0.18 -0.04 0.89 0.26 2g5xA1 LEU 231 H -0.02 0.85 0.27 -0.55 8.37 8.93 2g5xA1 LEU 231 HA -0.04 0.09 0.95 -0.75 4.35 4.60 2g5xA1 LEU 231 HB2 -0.10 0.01 0.00 -0.04 1.64 1.50 2g5xA1 LEU 231 HB3 -0.13 0.06 0.05 -0.04 1.64 1.58 2g5xA1 LEU 231 HG -0.22 0.05 -0.17 -0.04 1.64 1.26 2g5xA1 LEU 231 HD13 -0.33 0.01 -0.10 -0.04 0.93 0.47 2g5xA1 LEU 231 HD23 -0.34 -0.01 -0.08 -0.04 0.89 0.42 2g5xA1 LEU 232 H -0.55 0.09 0.18 -0.55 8.37 7.54 2g5xA1 LEU 232 HA -0.46 0.09 0.66 -0.75 4.35 3.89 2g5xA1 LEU 232 HB2 -2.02 -0.03 0.05 -0.04 1.64 -0.41 2g5xA1 LEU 232 HB3 -0.90 -0.01 0.10 -0.04 1.64 0.79 2g5xA1 LEU 232 HG -1.37 0.17 0.02 -0.04 1.64 0.41 2g5xA1 LEU 232 HD13 -0.67 -0.00 0.07 -0.04 0.93 0.29 2g5xA1 LEU 232 HD23 -0.70 -0.04 0.01 -0.04 0.89 0.12 2g5xA1 TYR 233 H -0.34 0.08 0.08 -0.55 8.29 7.55 2g5xA1 TYR 233 HA -0.02 0.11 0.38 -0.75 4.56 4.28 2g5xA1 TYR 233 HB2 -0.08 -0.01 0.09 -0.04 3.06 3.02 2g5xA1 TYR 233 HB3 -0.05 0.19 0.04 -0.04 2.98 3.13 2g5xA1 TYR 233 HD2 -0.09 0.15 -0.30 -0.04 7.15 6.87 2g5xA1 TYR 233 HE2 -0.07 0.04 -0.08 -0.04 6.85 6.70 2g5xA1 ASN 234 H -0.11 0.10 0.05 -0.55 8.53 8.02 2g5xA1 ASN 234 HA -0.24 0.25 0.73 -0.75 4.76 4.74 2g5xA1 ASN 234 HB2 -0.44 0.01 0.05 -0.04 2.88 2.46 2g5xA1 ASN 234 HB3 -1.63 0.11 -0.09 -0.04 2.79 1.13 2g5xA1 ASN 234 HD21 -0.12 -0.01 0.02 -0.04 7.03 6.88 2g5xA1 ASN 234 HD22 -0.22 0.03 0.02 -0.04 7.74 7.53