============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TRP 3 1.040 55.052 -29.134 -54.301 -99.200 -91.000 TRP6 3 1.020 54.906 -26.775 -54.347 -99.200 -91.000 TYR 7 0.840 50.834 -22.141 -56.349 -99.200 -91.000 PHE 29 1.000 32.424 -14.998 -47.841 -99.200 -91.000 HIS 31 0.900 36.412 -17.311 -37.057 -99.200 -91.000 TYR 50 0.840 27.613 -15.891 -58.483 -99.200 -91.000 HIS 57 0.900 30.386 -13.951 -43.065 -99.200 -91.000 TYR 66 0.840 28.711 -11.125 -47.973 -99.200 -91.000 TYR 71 0.840 25.000 -6.799 -54.012 -99.200 -91.000 PHE 75 1.000 25.963 -12.878 -53.850 -99.200 -91.000 PHE 77 1.000 25.370 -13.011 -42.970 -99.200 -91.000 TRP 80 1.040 26.670 -20.769 -40.079 -99.200 -91.000 TRP6 80 1.020 28.462 -22.021 -40.977 -99.200 -91.000 PHE 81 1.000 30.016 -13.984 -32.994 -99.200 -91.000 HIS 94 0.900 18.203 -7.941 -46.487 -99.200 -91.000 PHE 97 1.000 22.395 -15.690 -35.138 -99.200 -91.000 PHE 101 1.000 25.893 -24.507 -27.579 -99.200 -91.000 PHE 102 1.000 34.335 -20.580 -33.353 -99.200 -91.000 HIS 103 0.900 30.787 -27.696 -28.856 -99.200 -91.000 PHE 114 1.000 26.014 -24.784 -39.967 -99.200 -91.000 HIS 115 0.900 26.535 -29.769 -49.617 -99.200 -91.000 PHE 119 1.000 36.569 -22.767 -46.338 -99.200 -91.000 HIS 128 0.900 60.116 -27.173 -47.310 -99.200 -91.000 PHE 131 1.000 51.830 -30.450 -46.742 -99.200 -91.000 TYR 140 0.840 34.116 -21.478 -40.107 -99.200 -91.000 TYR 163 0.840 55.781 -23.347 -35.432 -99.200 -91.000 PHE 167 1.000 51.307 -25.580 -41.528 -99.200 -91.000 HIS 169 0.900 50.317 -31.238 -51.305 -99.200 -91.000 PHE 176 1.000 46.277 -23.472 -55.466 -99.200 -91.000 HIS 181 0.900 44.940 -8.704 -49.106 -99.200 -91.000 HIS 201 0.900 35.338 -5.887 -8.194 -99.200 -91.000 HIS 232 0.900 55.611 -19.956 -12.716 -99.200 -91.000 HIS 236 0.900 42.320 -25.337 -24.459 -99.200 -91.000 TYR 248 0.840 55.765 -15.240 -24.434 -99.200 -91.000 PHE 269 1.000 38.858 -16.088 -33.511 -99.200 -91.000 TYR 277 0.840 46.850 -10.398 -37.580 -99.200 -91.000 PHE 279 1.000 53.884 -13.858 -29.258 -99.200 -91.000 TYR 293 0.840 42.672 -30.130 -28.575 -99.200 -91.000 HIS 296 0.900 34.345 -32.011 -27.401 -99.200 -91.000 PHE 317 1.000 15.638 -8.929 -10.009 -99.200 -91.000 PHE 331 1.000 22.829 -5.074 -31.390 -99.200 -91.000 PHE 340 1.000 37.013 -21.808 -24.206 -99.200 -91.000 PHE 376 1.000 10.068 -10.151 -14.777 -99.200 -91.000 HIS 379 0.900 8.202 -9.304 -26.346 -99.200 -91.000 TYR 392 0.840 32.906 -17.407 -9.426 -99.200 -91.000 TYR 397 0.840 28.969 0.101 -8.928 -99.200 -91.000 HIS 419 0.900 25.154 3.634 -10.886 -99.200 -91.000 PHE 422 1.000 19.349 2.132 -13.089 -99.200 -91.000 PHE 430 1.000 14.399 -10.623 -3.812 -99.200 -91.000 PHE 434 1.000 12.901 -13.863 -7.008 -99.200 -91.000 PHE 438 1.000 18.040 -7.174 -1.600 -99.200 -91.000 TRP 441 1.040 21.296 -10.102 7.776 -99.200 -91.000 TRP6 441 1.020 22.054 -9.339 5.661 -99.200 -91.000 HIS 443 0.900 19.863 -7.496 12.493 -99.200 -91.000 PHE 446 1.000 16.376 -1.217 12.548 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3gk7B1 MET 1 HA -0.21 0.06 0.17 -0.75 4.52 3.78 3gk7B1 MET 1 HB2 0.07 -0.08 0.17 -0.04 2.15 2.27 3gk7B1 MET 1 HB3 -0.02 0.01 0.14 -0.04 2.03 2.11 3gk7B1 MET 1 HG2 0.07 0.02 0.06 -0.04 2.63 2.74 3gk7B1 MET 1 HG3 -0.01 0.03 0.06 -0.04 2.56 2.60 3gk7B1 MET 1 HE3 0.32 -0.01 0.06 -0.04 2.10 2.43 3gk7B1 ASP 2 H -0.01 0.16 0.12 -0.55 8.40 8.12 3gk7B1 ASP 2 HA -0.04 0.09 0.56 -0.75 4.63 4.48 3gk7B1 ASP 2 HB2 0.03 0.02 0.16 -0.04 2.71 2.88 3gk7B1 ASP 2 HB3 0.10 0.01 0.08 -0.04 2.70 2.84 3gk7B1 TRP 3 H 0.17 0.14 -0.15 -0.55 7.97 7.58 3gk7B1 TRP 3 HA 0.00 0.06 0.38 -0.75 4.62 4.31 3gk7B1 TRP 3 HB2 -0.19 -0.03 0.06 -0.04 3.23 3.02 3gk7B1 TRP 3 HB3 0.04 0.01 0.07 -0.04 3.23 3.31 3gk7B1 TRP 3 HD1 0.00 -0.08 -0.03 -0.04 7.22 7.07 3gk7B1 TRP 3 HE1 -0.03 0.24 0.03 -0.04 10.20 10.39 3gk7B1 TRP 3 HE3 -0.24 -0.08 -0.36 -0.04 7.59 6.87 3gk7B1 TRP 3 HZ2 -0.06 0.07 -0.08 -0.04 7.44 7.33 3gk7B1 TRP 3 HZ3 -0.58 -0.00 -0.08 -0.04 7.13 6.42 3gk7B1 TRP 3 HH2 -0.21 0.05 -0.12 -0.04 7.19 6.88 3gk7B1 LYS 4 H -0.93 0.35 -0.41 -0.55 8.42 6.87 3gk7B1 LYS 4 HA -0.60 0.02 0.36 -0.75 4.32 3.35 3gk7B1 LYS 4 HB2 -0.53 0.19 0.10 -0.04 1.87 1.58 3gk7B1 LYS 4 HB3 -0.44 -0.04 0.02 -0.04 1.79 1.29 3gk7B1 LYS 4 HG2 -1.52 -0.05 -0.00 -0.04 1.46 -0.15 3gk7B1 LYS 4 HG3 -2.42 0.05 0.00 -0.04 1.46 -0.95 3gk7B1 LYS 4 HD2 -0.50 0.04 0.05 -0.04 1.69 1.25 3gk7B1 LYS 4 HD3 -0.40 -0.07 0.01 -0.04 1.68 1.19 3gk7B1 LYS 4 HE2 -0.30 -0.05 -0.00 -0.04 2.99 2.60 3gk7B1 LYS 4 HE3 -0.44 0.15 0.03 -0.04 2.99 2.68 3gk7B1 LYS 5 H -0.16 0.31 -0.23 -0.55 8.42 7.78 3gk7B1 LYS 5 HA -0.05 0.03 0.50 -0.75 4.32 4.05 3gk7B1 ILE 6 H 0.05 0.27 -0.14 -0.55 8.25 7.89 3gk7B1 ILE 6 HA 0.08 0.05 0.42 -0.75 4.18 3.98 3gk7B1 ILE 6 HB 0.18 0.08 0.15 -0.04 1.89 2.25 3gk7B1 ILE 6 HG12 0.10 0.04 0.02 -0.04 1.49 1.61 3gk7B1 ILE 6 HG13 0.09 0.02 0.03 -0.04 1.21 1.32 3gk7B1 ILE 6 HG23 0.19 0.00 -0.22 -0.04 0.93 0.86 3gk7B1 ILE 6 HD13 0.16 -0.03 -0.04 -0.04 0.88 0.92 3gk7B1 TYR 7 H 0.19 0.54 -0.12 -0.55 8.29 8.35 3gk7B1 TYR 7 HA -0.36 0.06 0.28 -0.75 4.56 3.78 3gk7B1 TYR 7 HB2 0.01 -0.03 0.07 -0.04 3.06 3.07 3gk7B1 TYR 7 HB3 -0.06 0.09 0.14 -0.04 2.98 3.11 3gk7B1 TYR 7 HD2 -0.84 0.03 -0.05 -0.04 7.15 6.24 3gk7B1 TYR 7 HE2 -0.23 -0.02 -0.06 -0.04 6.85 6.50 3gk7B1 GLU 8 H 0.02 0.52 -0.12 -0.55 8.60 8.48 3gk7B1 GLU 8 HA -0.17 -0.01 0.43 -0.75 4.29 3.78 3gk7B1 GLU 8 HB2 -0.03 0.07 0.19 -0.04 2.09 2.28 3gk7B1 GLU 8 HB3 -0.04 -0.05 0.03 -0.04 1.99 1.89 3gk7B1 GLU 8 HG2 -0.02 -0.06 0.04 -0.04 2.34 2.26 3gk7B1 GLU 8 HG3 0.01 0.16 0.10 -0.04 2.34 2.57 3gk7B1 ASP 9 H -0.00 0.56 -0.11 -0.55 8.40 8.31 3gk7B1 ASP 9 HA -0.00 -0.03 0.45 -0.75 4.63 4.30 3gk7B1 ASP 9 HB2 0.04 0.13 0.17 -0.04 2.71 3.01 3gk7B1 ASP 9 HB3 0.03 -0.05 0.05 -0.04 2.70 2.69 3gk7B1 ARG 10 H 0.05 0.35 -0.36 -0.55 8.46 7.95 3gk7B1 ARG 10 HA 0.08 0.13 0.68 -0.75 4.34 4.47 3gk7B1 ARG 10 HB2 0.44 0.00 0.01 -0.04 1.90 2.31 3gk7B1 ARG 10 HB3 0.20 0.01 0.07 -0.04 1.80 2.03 3gk7B1 ARG 10 HG2 0.10 -0.00 0.03 -0.04 1.67 1.76 3gk7B1 ARG 10 HG3 0.13 -0.04 -0.02 -0.04 1.67 1.70 3gk7B1 ARG 10 HD2 0.34 -0.07 -0.09 -0.04 3.22 3.36 3gk7B1 ARG 10 HD3 0.14 0.15 0.07 -0.04 3.22 3.54 3gk7B1 THR 11 H -0.04 0.34 -0.30 -0.55 8.28 7.73 3gk7B1 THR 11 HA 0.04 0.07 0.85 -0.75 4.39 4.60 3gk7B1 THR 11 HB -0.12 0.09 0.20 -0.04 4.32 4.44 3gk7B1 THR 11 HG23 -0.08 -0.05 -0.03 -0.04 1.22 1.02 3gk7B1 CYS 12 H 0.02 0.76 0.48 -0.55 8.50 9.21 3gk7B1 CYS 12 HA 0.00 0.11 0.64 -0.75 4.58 4.57 3gk7B1 CYS 12 HB2 0.01 -0.22 0.19 -0.04 2.97 2.90 3gk7B1 CYS 12 HB3 0.01 0.19 -0.17 -0.04 2.97 2.95 3gk7B1 THR 13 H 0.01 0.12 0.18 -0.55 8.28 8.04 3gk7B1 THR 13 HA 0.01 0.21 0.85 -0.75 4.39 4.70 3gk7B1 THR 13 HB 0.01 -0.04 0.17 -0.04 4.32 4.41 3gk7B1 THR 13 HG23 0.00 0.05 0.04 -0.04 1.22 1.28 3gk7B1 ALA 14 H 0.01 0.19 0.14 -0.55 8.40 8.19 3gk7B1 ALA 14 HA -0.00 0.12 0.35 -0.75 4.34 4.05 3gk7B1 ALA 14 HB3 -0.01 0.03 0.00 -0.04 1.41 1.39 3gk7B1 ASP 15 H 0.01 0.07 -0.08 -0.55 8.40 7.85 3gk7B1 ASP 15 HA 0.03 0.13 0.36 -0.75 4.63 4.39 3gk7B1 ASP 15 HB2 0.01 -0.05 0.03 -0.04 2.71 2.66 3gk7B1 ASP 15 HB3 0.02 0.11 -0.02 -0.04 2.70 2.76 3gk7B1 GLU 16 H 0.01 -0.03 -0.40 -0.55 8.60 7.63 3gk7B1 GLU 16 HA 0.02 0.12 0.47 -0.75 4.29 4.15 3gk7B1 GLU 16 HB2 0.01 0.01 0.12 -0.04 2.09 2.19 3gk7B1 GLU 16 HB3 0.01 0.10 -0.03 -0.04 1.99 2.04 3gk7B1 GLU 16 HG2 0.01 0.08 0.02 -0.04 2.34 2.41 3gk7B1 GLU 16 HG3 0.01 -0.11 -0.00 -0.04 2.34 2.20 3gk7B1 ALA 17 H 0.01 0.38 -0.16 -0.55 8.40 8.08 3gk7B1 ALA 17 HA 0.01 0.10 0.28 -0.75 4.34 3.97 3gk7B1 ALA 17 HB3 -0.01 -0.00 -0.03 -0.04 1.41 1.32 3gk7B1 VAL 18 H 0.04 0.41 -0.25 -0.55 8.24 7.89 3gk7B1 VAL 18 HA 0.06 0.02 0.24 -0.75 4.13 3.70 3gk7B1 VAL 18 HB 0.18 -0.00 0.00 -0.04 2.12 2.26 3gk7B1 VAL 18 HG13 0.02 -0.01 -0.06 -0.04 0.97 0.88 3gk7B1 VAL 18 HG23 0.11 0.05 -0.24 -0.04 0.95 0.83 3gk7B1 LYS 19 H 0.06 0.30 -0.64 -0.55 8.42 7.59 3gk7B1 LYS 19 HA 0.12 0.10 0.56 -0.75 4.32 4.34 3gk7B1 LYS 19 HB2 0.04 0.19 0.05 -0.04 1.87 2.12 3gk7B1 LYS 19 HB3 0.04 -0.05 0.08 -0.04 1.79 1.82 3gk7B1 LYS 19 HG2 0.03 -0.03 0.03 -0.04 1.46 1.45 3gk7B1 LYS 19 HG3 0.04 0.17 0.12 -0.04 1.46 1.74 3gk7B1 LYS 19 HD2 0.02 -0.00 0.03 -0.04 1.69 1.70 3gk7B1 LYS 19 HD3 0.01 -0.03 0.02 -0.04 1.68 1.65 3gk7B1 LYS 19 HE2 0.01 -0.09 -0.09 -0.04 2.99 2.78 3gk7B1 LYS 19 HE3 0.01 -0.06 -0.03 -0.04 2.99 2.87 3gk7B1 SER 20 H 0.06 0.40 -0.30 -0.55 8.46 8.07 3gk7B1 SER 20 HA 0.05 0.09 0.54 -0.75 4.49 4.42 3gk7B1 SER 20 HB2 0.03 -0.05 0.05 -0.04 3.95 3.94 3gk7B1 SER 20 HB3 0.03 -0.01 0.05 -0.04 3.93 3.95 3gk7B1 ILE 21 H 0.11 0.28 -0.42 -0.55 8.25 7.67 3gk7B1 ILE 21 HA 0.02 0.01 0.61 -0.75 4.18 4.08 3gk7B1 ILE 21 HB -0.02 0.17 0.03 -0.04 1.89 2.03 3gk7B1 ILE 21 HG12 -0.04 -0.04 -0.10 -0.04 1.49 1.26 3gk7B1 ILE 21 HG13 0.01 -0.06 -0.09 -0.04 1.21 1.04 3gk7B1 ILE 21 HG23 -0.27 -0.02 -0.19 -0.04 0.93 0.41 3gk7B1 ILE 21 HD13 -0.07 -0.02 -0.07 -0.04 0.88 0.68 3gk7B1 LYS 22 H 0.05 0.11 0.12 -0.55 8.42 8.15 3gk7B1 LYS 22 HA 0.18 0.23 0.82 -0.75 4.32 4.80 3gk7B1 LYS 22 HB2 0.07 -0.04 0.11 -0.04 1.87 1.97 3gk7B1 LYS 22 HB3 0.08 0.08 -0.13 -0.04 1.79 1.78 3gk7B1 LYS 22 HG2 0.06 -0.10 0.04 -0.04 1.46 1.41 3gk7B1 LYS 22 HG3 0.05 0.14 -0.13 -0.04 1.46 1.48 3gk7B1 LYS 22 HD2 0.05 -0.03 -0.02 -0.04 1.69 1.65 3gk7B1 LYS 22 HD3 0.05 0.05 -0.05 -0.04 1.68 1.70 3gk7B1 LYS 22 HE2 0.05 -0.05 -0.00 -0.04 2.99 2.96 3gk7B1 LYS 22 HE3 0.05 -0.02 -0.01 -0.04 2.99 2.96 3gk7B1 SER 23 H 0.11 0.15 0.18 -0.55 8.46 8.35 3gk7B1 SER 23 HA 0.09 0.06 0.49 -0.75 4.49 4.37 3gk7B1 SER 23 HB2 0.05 -0.03 0.17 -0.04 3.95 4.09 3gk7B1 SER 23 HB3 0.05 0.14 0.15 -0.04 3.93 4.22 3gk7B1 GLY 24 H 0.04 0.44 0.08 -0.55 8.43 8.44 3gk7B1 GLY 24 HA2 0.03 0.19 0.48 -0.51 4.01 4.20 3gk7B1 GLY 24 HA3 0.03 -0.01 0.56 -0.51 4.01 4.09 3gk7B1 ASP 25 H 0.03 0.41 -0.26 -0.55 8.40 8.03 3gk7B1 ASP 25 HA 0.06 0.01 0.45 -0.75 4.63 4.39 3gk7B1 ASP 25 HB2 -0.00 0.19 0.13 -0.04 2.71 2.98 3gk7B1 ASP 25 HB3 0.01 -0.08 -0.13 -0.04 2.70 2.45 3gk7B1 ARG 26 H 0.08 0.09 0.22 -0.55 8.46 8.30 3gk7B1 ARG 26 HA -0.01 0.17 0.95 -0.75 4.34 4.70 3gk7B1 ARG 26 HB2 0.10 -0.13 0.15 -0.04 1.90 1.98 3gk7B1 ARG 26 HB3 0.03 0.08 0.05 -0.04 1.80 1.91 3gk7B1 ARG 26 HG2 0.04 -0.02 0.06 -0.04 1.67 1.71 3gk7B1 ARG 26 HG3 0.09 0.05 -0.02 -0.04 1.67 1.76 3gk7B1 ARG 26 HD2 0.10 -0.01 0.02 -0.04 3.22 3.29 3gk7B1 ARG 26 HD3 0.22 -0.05 -0.00 -0.04 3.22 3.34 3gk7B1 VAL 27 H -0.09 0.92 0.26 -0.55 8.24 8.79 3gk7B1 VAL 27 HA -0.01 0.22 1.01 -0.75 4.13 4.59 3gk7B1 VAL 27 HB -0.13 0.07 0.11 -0.04 2.12 2.12 3gk7B1 VAL 27 HG13 0.03 -0.03 -0.17 -0.04 0.97 0.76 3gk7B1 VAL 27 HG23 -0.06 -0.00 -0.15 -0.04 0.95 0.69 3gk7B1 LEU 28 H 0.08 0.67 0.42 -0.55 8.37 8.98 3gk7B1 LEU 28 HA -0.26 0.22 0.96 -0.75 4.35 4.51 3gk7B1 LEU 28 HB2 -0.04 0.05 -0.15 -0.04 1.64 1.46 3gk7B1 LEU 28 HB3 0.29 0.00 0.04 -0.04 1.64 1.93 3gk7B1 LEU 28 HG 0.54 0.01 -0.35 -0.04 1.64 1.80 3gk7B1 LEU 28 HD13 -0.61 0.01 -0.13 -0.04 0.93 0.17 3gk7B1 LEU 28 HD23 0.17 -0.02 -0.15 -0.04 0.89 0.85 3gk7B1 PHE 29 H -0.11 0.48 0.29 -0.55 8.34 8.45 3gk7B1 PHE 29 HA -0.22 0.20 1.01 -0.75 4.62 4.86 3gk7B1 PHE 29 HB2 -0.03 -0.08 0.06 -0.04 3.15 3.06 3gk7B1 PHE 29 HB3 -0.14 0.03 0.09 -0.04 3.06 3.00 3gk7B1 PHE 29 HD2 -0.23 -0.00 -0.22 -0.04 7.28 6.79 3gk7B1 PHE 29 HE2 -0.27 -0.03 -0.14 -0.04 7.38 6.89 3gk7B1 PHE 29 HZ -0.71 -0.01 -0.11 -0.04 7.32 6.45 3gk7B1 ALA 30 H -0.28 0.67 0.31 -0.55 8.40 8.56 3gk7B1 ALA 30 HA 0.41 -0.03 0.47 -0.75 4.34 4.44 3gk7B1 ALA 30 HB3 -0.08 0.04 0.02 -0.04 1.41 1.35 3gk7B1 HIS 31 H -0.07 0.02 0.09 -0.55 8.41 7.90 3gk7B1 HIS 31 HA 0.04 0.05 0.29 -0.75 4.63 4.25 3gk7B1 HIS 31 HB2 -0.70 -0.03 0.14 -0.04 3.26 2.62 3gk7B1 HIS 31 HB3 -0.25 -0.04 0.14 -0.04 3.20 3.01 3gk7B1 HIS 31 HD2 -0.03 -0.04 0.10 -0.04 6.97 6.96 3gk7B1 HIS 31 HE1 -2.59 0.01 -0.03 -0.04 7.75 5.10 3gk7B1 CYS 32 H -0.16 0.24 0.19 -0.55 8.50 8.23 3gk7B1 CYS 32 HA -0.24 0.15 0.38 -0.75 4.58 4.11 3gk7B1 CYS 32 HB2 -1.50 -0.06 -0.07 -0.04 2.97 1.30 3gk7B1 CYS 32 HB3 -0.56 0.04 -0.15 -0.04 2.97 2.25 3gk7B1 VAL 33 H -0.10 0.18 0.22 -0.55 8.24 7.99 3gk7B1 VAL 33 HA -0.06 0.04 0.42 -0.75 4.13 3.78 3gk7B1 VAL 33 HB -0.09 0.06 0.16 -0.04 2.12 2.21 3gk7B1 VAL 33 HG13 -0.25 0.01 0.09 -0.04 0.97 0.78 3gk7B1 VAL 33 HG23 0.10 -0.04 0.14 -0.04 0.95 1.11 3gk7B1 ALA 34 H -0.09 0.38 -0.17 -0.55 8.40 7.97 3gk7B1 ALA 34 HA -0.08 0.19 0.60 -0.75 4.34 4.29 3gk7B1 ALA 34 HB3 -0.04 -0.02 0.06 -0.04 1.41 1.37 3gk7B1 GLU 35 H -0.09 0.31 -0.57 -0.55 8.60 7.69 3gk7B1 GLU 35 HA -0.15 0.08 0.49 -0.75 4.29 3.96 3gk7B1 GLU 35 HB2 -0.08 0.09 0.04 -0.04 2.09 2.09 3gk7B1 GLU 35 HB3 -0.11 -0.01 0.07 -0.04 1.99 1.90 3gk7B1 GLU 35 HG2 -0.28 -0.07 -0.38 -0.04 2.34 1.56 3gk7B1 GLU 35 HG3 -0.38 0.05 -0.04 -0.04 2.34 1.93 3gk7B1 PRO 36 HA -0.08 0.24 0.58 -0.51 4.44 4.67 3gk7B1 PRO 36 HB2 -0.15 -0.18 0.01 -0.04 2.28 1.93 3gk7B1 PRO 36 HB3 -0.13 0.14 -0.20 -0.04 2.02 1.79 3gk7B1 PRO 36 HG2 -0.35 -0.07 -0.02 -0.04 2.03 1.55 3gk7B1 PRO 36 HG3 -0.27 0.06 -0.44 -0.04 2.03 1.33 3gk7B1 PRO 36 HD2 -0.49 0.04 0.10 -0.04 3.68 3.29 3gk7B1 PRO 36 HD3 -0.26 0.25 0.23 -0.04 3.65 3.82 3gk7B1 PRO 37 HA -0.17 0.01 0.19 -0.51 4.44 3.96 3gk7B1 PRO 37 HB2 -0.19 0.04 -0.06 -0.04 2.28 2.03 3gk7B1 PRO 37 HB3 -0.14 0.03 0.06 -0.04 2.02 1.93 3gk7B1 PRO 37 HG2 -0.32 -0.02 0.06 -0.04 2.03 1.71 3gk7B1 PRO 37 HG3 -0.17 0.14 0.06 -0.04 2.03 2.02 3gk7B1 PRO 37 HD2 0.07 0.08 0.23 -0.04 3.68 4.02 3gk7B1 PRO 37 HD3 -0.03 0.51 0.28 -0.04 3.65 4.37 3gk7B1 VAL 38 H -0.06 0.18 -0.21 -0.55 8.24 7.59 3gk7B1 VAL 38 HA -0.07 0.10 0.46 -0.75 4.13 3.86 3gk7B1 VAL 38 HB -0.00 0.03 -0.01 -0.04 2.12 2.10 3gk7B1 VAL 38 HG13 -0.01 0.02 -0.05 -0.04 0.97 0.88 3gk7B1 VAL 38 HG23 -0.03 0.02 -0.02 -0.04 0.95 0.88 3gk7B1 LEU 39 H -0.11 0.13 -0.25 -0.55 8.37 7.60 3gk7B1 LEU 39 HA -0.07 0.08 0.49 -0.75 4.35 4.10 3gk7B1 LEU 39 HB2 -0.16 -0.02 0.02 -0.04 1.64 1.45 3gk7B1 LEU 39 HB3 -0.19 0.06 -0.16 -0.04 1.64 1.31 3gk7B1 LEU 39 HG -0.10 0.06 -0.14 -0.04 1.64 1.42 3gk7B1 LEU 39 HD13 -0.04 0.01 -0.13 -0.04 0.93 0.72 3gk7B1 LEU 39 HD23 -0.11 -0.00 -0.31 -0.04 0.89 0.42 3gk7B1 VAL 40 H -0.25 0.52 -0.13 -0.55 8.24 7.83 3gk7B1 VAL 40 HA -0.29 0.09 0.39 -0.75 4.13 3.58 3gk7B1 VAL 40 HB -0.24 0.03 0.04 -0.04 2.12 1.91 3gk7B1 VAL 40 HG13 -0.01 -0.03 -0.14 -0.04 0.97 0.75 3gk7B1 VAL 40 HG23 -1.04 0.06 -0.09 -0.04 0.95 -0.17 3gk7B1 GLU 41 H -0.10 0.64 -0.13 -0.55 8.60 8.46 3gk7B1 GLU 41 HA -0.02 -0.03 0.40 -0.75 4.29 3.88 3gk7B1 GLU 41 HB2 -0.06 0.14 0.16 -0.04 2.09 2.29 3gk7B1 GLU 41 HB3 -0.04 0.07 0.09 -0.04 1.99 2.07 3gk7B1 GLU 41 HG2 -0.03 0.01 -0.02 -0.04 2.34 2.26 3gk7B1 GLU 41 HG3 -0.00 -0.00 -0.06 -0.04 2.34 2.24 3gk7B1 ALA 42 H -0.03 0.45 -0.26 -0.55 8.40 8.02 3gk7B1 ALA 42 HA 0.03 -0.01 0.35 -0.75 4.34 3.97 3gk7B1 ALA 42 HB3 0.01 0.02 -0.09 -0.04 1.41 1.31 3gk7B1 MET 43 H 0.01 0.49 -0.24 -0.55 8.47 8.18 3gk7B1 MET 43 HA 0.28 0.10 0.33 -0.75 4.52 4.48 3gk7B1 MET 43 HB2 0.01 0.02 0.03 -0.04 2.15 2.17 3gk7B1 MET 43 HB3 -0.04 -0.00 0.08 -0.04 2.03 2.03 3gk7B1 MET 43 HG2 0.18 0.00 -0.33 -0.04 2.63 2.44 3gk7B1 MET 43 HG3 0.01 0.07 -0.09 -0.04 2.56 2.51 3gk7B1 MET 43 HE3 -0.56 -0.02 -0.14 -0.04 2.10 1.34 3gk7B1 VAL 44 H 0.05 0.51 -0.14 -0.55 8.24 8.10 3gk7B1 VAL 44 HA 0.27 0.05 0.39 -0.75 4.13 4.09 3gk7B1 VAL 44 HB 0.02 0.10 0.12 -0.04 2.12 2.32 3gk7B1 VAL 44 HG13 -0.13 -0.02 -0.16 -0.04 0.97 0.62 3gk7B1 VAL 44 HG23 -0.07 -0.01 -0.03 -0.04 0.95 0.80 3gk7B1 ALA 45 H 0.10 0.66 -0.10 -0.55 8.40 8.51 3gk7B1 ALA 45 HA 0.12 -0.01 0.45 -0.75 4.34 4.15 3gk7B1 ALA 45 HB3 0.06 -0.01 0.08 -0.04 1.41 1.49 3gk7B1 ASN 46 H 0.18 0.39 -0.59 -0.55 8.53 7.97 3gk7B1 ASN 46 HA 0.00 0.05 0.61 -0.75 4.76 4.67 3gk7B1 ASN 46 HB2 0.07 -0.01 0.02 -0.04 2.88 2.92 3gk7B1 ASN 46 HB3 0.18 0.11 0.06 -0.04 2.79 3.10 3gk7B1 ASN 46 HD21 -0.18 0.01 -0.03 -0.04 7.03 6.80 3gk7B1 ASN 46 HD22 0.03 0.08 -0.11 -0.04 7.74 7.70 3gk7B1 ALA 47 H 0.21 0.38 -0.54 -0.55 8.40 7.90 3gk7B1 ALA 47 HA 0.26 0.07 0.21 -0.75 4.34 4.12 3gk7B1 ALA 47 HB3 0.37 -0.00 0.11 -0.04 1.41 1.84 3gk7B1 ALA 48 H -0.02 0.10 -0.23 -0.55 8.40 7.70 3gk7B1 ALA 48 HA -0.07 0.10 0.34 -0.75 4.34 3.97 3gk7B1 ALA 48 HB3 -0.04 -0.01 0.05 -0.04 1.41 1.37 3gk7B1 ALA 49 H -0.33 0.52 -0.33 -0.55 8.40 7.71 3gk7B1 ALA 49 HA -0.17 0.04 0.66 -0.75 4.34 4.12 3gk7B1 ALA 49 HB3 -0.48 0.01 0.09 -0.04 1.41 1.00 3gk7B1 TYR 50 H -0.21 0.54 -0.17 -0.55 8.29 7.90 3gk7B1 TYR 50 HA -0.03 0.08 0.85 -0.75 4.56 4.71 3gk7B1 TYR 50 HB2 -0.32 0.04 0.02 -0.04 3.06 2.76 3gk7B1 TYR 50 HB3 -0.07 -0.04 -0.12 -0.04 2.98 2.71 3gk7B1 TYR 50 HD2 -0.01 -0.03 -0.26 -0.04 7.15 6.81 3gk7B1 TYR 50 HE2 0.16 0.24 -0.12 -0.04 6.85 7.08 3gk7B1 LYS 51 H 0.09 0.10 0.21 -0.55 8.42 8.26 3gk7B1 LYS 51 HA -0.01 0.32 0.91 -0.75 4.32 4.79 3gk7B1 LYS 51 HB2 0.01 0.02 -0.00 -0.04 1.87 1.86 3gk7B1 LYS 51 HB3 0.02 -0.08 0.13 -0.04 1.79 1.82 3gk7B1 LYS 51 HG2 0.01 -0.00 -0.11 -0.04 1.46 1.32 3gk7B1 LYS 51 HG3 0.00 0.12 0.13 -0.04 1.46 1.66 3gk7B1 LYS 51 HD2 0.00 -0.01 0.00 -0.04 1.69 1.64 3gk7B1 LYS 51 HD3 0.01 -0.04 -0.01 -0.04 1.68 1.60 3gk7B1 LYS 51 HE2 0.01 -0.00 -0.01 -0.04 2.99 2.94 3gk7B1 LYS 51 HE3 0.00 0.02 0.02 -0.04 2.99 2.99 3gk7B1 ASN 52 H 0.00 0.54 0.07 -0.55 8.53 8.60 3gk7B1 ASN 52 HA 0.04 0.07 0.07 -0.75 4.76 4.18 3gk7B1 ASN 52 HB2 0.03 0.01 -0.12 -0.04 2.88 2.76 3gk7B1 ASN 52 HB3 0.03 -0.02 0.12 -0.04 2.79 2.88 3gk7B1 ASN 52 HD21 0.02 -0.02 -0.02 -0.04 7.03 6.97 3gk7B1 ASN 52 HD22 0.02 -0.02 -0.06 -0.04 7.74 7.64 3gk7B1 VAL 53 H 0.03 0.70 -0.08 -0.55 8.24 8.34 3gk7B1 VAL 53 HA 0.03 0.23 0.87 -0.75 4.13 4.51 3gk7B1 VAL 53 HB 0.15 0.05 0.04 -0.04 2.12 2.32 3gk7B1 VAL 53 HG13 -0.01 -0.02 -0.26 -0.04 0.97 0.64 3gk7B1 VAL 53 HG23 -0.06 -0.00 -0.16 -0.04 0.95 0.69 3gk7B1 THR 54 H 0.02 0.56 0.24 -0.55 8.28 8.54 3gk7B1 THR 54 HA -0.00 0.16 0.71 -0.75 4.39 4.51 3gk7B1 THR 54 HB -0.03 -0.07 0.24 -0.04 4.32 4.42 3gk7B1 THR 54 HG23 -0.11 -0.01 -0.10 -0.04 1.22 0.96 3gk7B1 VAL 55 H -0.12 0.67 0.28 -0.55 8.24 8.52 3gk7B1 VAL 55 HA -0.38 0.24 0.92 -0.75 4.13 4.16 3gk7B1 VAL 55 HB -0.24 -0.08 0.00 -0.04 2.12 1.76 3gk7B1 VAL 55 HG13 -1.19 -0.04 -0.21 -0.04 0.97 -0.52 3gk7B1 VAL 55 HG23 -0.33 0.04 -0.26 -0.04 0.95 0.36 3gk7B1 SER 56 H -0.54 0.71 0.34 -0.55 8.46 8.42 3gk7B1 SER 56 HA -0.94 0.28 1.03 -0.75 4.49 4.10 3gk7B1 SER 56 HB2 -0.85 -0.00 0.09 -0.04 3.95 3.14 3gk7B1 SER 56 HB3 -2.12 -0.06 0.09 -0.04 3.93 1.80 3gk7B1 HIS 57 H -1.06 0.40 0.33 -0.55 8.41 7.54 3gk7B1 HIS 57 HA -0.51 0.08 0.23 -0.75 4.63 3.68 3gk7B1 HIS 57 HB2 0.05 -0.16 0.12 -0.04 3.26 3.23 3gk7B1 HIS 57 HB3 -0.25 0.14 0.34 -0.04 3.20 3.40 3gk7B1 HIS 57 HD2 -1.00 0.05 -0.28 -0.04 6.97 5.69 3gk7B1 HIS 57 HE1 0.07 -0.08 -0.13 -0.04 7.75 7.57 3gk7B1 MET 58 H 0.33 0.09 0.03 -0.55 8.47 8.38 3gk7B1 MET 58 HA 0.27 0.14 0.89 -0.75 4.52 5.06 3gk7B1 MET 58 HB2 0.30 -0.03 0.16 -0.04 2.15 2.54 3gk7B1 MET 58 HB3 0.01 -0.09 0.16 -0.04 2.03 2.07 3gk7B1 MET 58 HG2 0.27 0.06 -0.18 -0.04 2.63 2.74 3gk7B1 MET 58 HG3 0.23 -0.02 -0.26 -0.04 2.56 2.47 3gk7B1 MET 58 HE3 -0.47 0.02 0.00 -0.04 2.10 1.61 3gk7B1 VAL 59 H -0.00 0.00 0.10 -0.55 8.24 7.79 3gk7B1 VAL 59 HA 0.28 0.14 0.31 -0.75 4.13 4.11 3gk7B1 VAL 59 HB -0.26 -0.03 0.09 -0.04 2.12 1.88 3gk7B1 VAL 59 HG13 -0.15 -0.03 -0.06 -0.04 0.97 0.69 3gk7B1 VAL 59 HG23 0.16 0.05 -0.01 -0.04 0.95 1.11 3gk7B1 THR 60 H 0.11 0.19 0.17 -0.55 8.28 8.20 3gk7B1 THR 60 HA -0.08 0.18 0.92 -0.75 4.39 4.65 3gk7B1 THR 60 HB -0.37 0.14 -0.10 -0.04 4.32 3.96 3gk7B1 THR 60 HG23 0.05 0.02 -0.12 -0.04 1.22 1.14 3gk7B1 LEU 61 H -0.05 0.23 0.11 -0.55 8.37 8.11 3gk7B1 LEU 61 HA 0.00 0.18 0.82 -0.75 4.35 4.60 3gk7B1 LEU 61 HB2 -0.01 0.06 0.01 -0.04 1.64 1.65 3gk7B1 LEU 61 HB3 0.01 0.04 0.12 -0.04 1.64 1.77 3gk7B1 LEU 61 HG -0.00 -0.08 -0.21 -0.04 1.64 1.31 3gk7B1 LEU 61 HD13 0.05 0.02 -0.16 -0.04 0.93 0.79 3gk7B1 LEU 61 HD23 0.04 0.03 -0.13 -0.04 0.89 0.79 3gk7B1 GLY 62 H -0.05 -0.07 -0.08 -0.55 8.43 7.69 3gk7B1 GLY 62 HA2 -0.04 0.21 0.57 -0.51 4.01 4.23 3gk7B1 GLY 62 HA3 -0.04 -0.03 0.29 -0.51 4.01 3.72 3gk7B1 LYS 63 H -0.05 0.11 0.11 -0.55 8.42 8.04 3gk7B1 LYS 63 HA -0.07 0.20 0.30 -0.75 4.32 3.99 3gk7B1 LYS 63 HB2 -0.08 -0.09 0.06 -0.04 1.87 1.71 3gk7B1 LYS 63 HB3 -0.08 0.08 0.05 -0.04 1.79 1.80 3gk7B1 LYS 63 HG2 -0.04 0.07 -0.01 -0.04 1.46 1.43 3gk7B1 LYS 63 HG3 -0.05 -0.04 0.05 -0.04 1.46 1.38 3gk7B1 LYS 63 HD2 -0.04 -0.02 0.00 -0.04 1.69 1.60 3gk7B1 LYS 63 HD3 -0.03 0.04 0.00 -0.04 1.68 1.64 3gk7B1 LYS 63 HE2 -0.03 0.02 -0.00 -0.04 2.99 2.93 3gk7B1 LYS 63 HE3 -0.04 -0.01 -0.00 -0.04 2.99 2.90 3gk7B1 GLY 64 H -0.11 -0.02 -0.25 -0.55 8.43 7.50 3gk7B1 GLY 64 HA2 -0.75 -0.02 0.16 -0.51 4.01 2.89 3gk7B1 GLY 64 HA3 -0.38 0.21 0.20 -0.51 4.01 3.52 3gk7B1 GLU 65 H -0.37 -0.00 -0.24 -0.55 8.60 7.44 3gk7B1 GLU 65 HA -0.21 0.16 0.21 -0.75 4.29 3.70 3gk7B1 GLU 65 HB2 -0.15 -0.07 0.01 -0.04 2.09 1.84 3gk7B1 GLU 65 HB3 -0.25 0.04 -0.05 -0.04 1.99 1.69 3gk7B1 GLU 65 HG2 -0.02 0.06 -0.07 -0.04 2.34 2.27 3gk7B1 GLU 65 HG3 0.03 0.01 0.03 -0.04 2.34 2.37 3gk7B1 TYR 66 H -0.85 0.01 -0.23 -0.55 8.29 6.67 3gk7B1 TYR 66 HA -0.38 0.12 0.32 -0.75 4.56 3.86 3gk7B1 TYR 66 HB2 -0.47 0.10 -0.10 -0.04 3.06 2.54 3gk7B1 TYR 66 HB3 -0.89 0.03 -0.03 -0.04 2.98 2.06 3gk7B1 TYR 66 HD2 -0.14 0.06 -0.23 -0.04 7.15 6.80 3gk7B1 TYR 66 HE2 -0.05 -0.02 -0.12 -0.04 6.85 6.62 3gk7B1 SER 67 H -0.58 0.37 -0.66 -0.55 8.46 7.05 3gk7B1 SER 67 HA 0.16 0.13 0.56 -0.75 4.49 4.58 3gk7B1 SER 67 HB2 -0.19 -0.07 0.15 -0.04 3.95 3.79 3gk7B1 SER 67 HB3 -0.47 -0.13 0.02 -0.04 3.93 3.30 3gk7B1 LYS 68 H 0.05 0.44 -0.16 -0.55 8.42 8.20 3gk7B1 LYS 68 HA 0.15 0.08 0.45 -0.75 4.32 4.24 3gk7B1 LYS 68 HB2 0.28 -0.01 0.10 -0.04 1.87 2.19 3gk7B1 LYS 68 HB3 0.09 -0.05 0.12 -0.04 1.79 1.91 3gk7B1 LYS 68 HG2 -0.02 0.13 0.17 -0.04 1.46 1.70 3gk7B1 LYS 68 HG3 0.06 -0.06 0.06 -0.04 1.46 1.47 3gk7B1 LYS 68 HD2 0.00 -0.05 0.01 -0.04 1.69 1.61 3gk7B1 LYS 68 HD3 0.00 -0.02 -0.10 -0.04 1.68 1.52 3gk7B1 LYS 68 HE2 -0.17 0.24 -0.06 -0.04 2.99 2.96 3gk7B1 LYS 68 HE3 -0.08 -0.08 -0.06 -0.04 2.99 2.73 3gk7B1 PRO 69 HA -0.75 0.14 0.30 -0.51 4.44 3.63 3gk7B1 PRO 69 HB2 -0.17 0.04 0.00 -0.04 2.28 2.11 3gk7B1 PRO 69 HB3 -0.42 0.07 0.12 -0.04 2.02 1.74 3gk7B1 PRO 69 HG2 -0.06 0.01 0.10 -0.04 2.03 2.04 3gk7B1 PRO 69 HG3 -0.04 0.06 0.09 -0.04 2.03 2.10 3gk7B1 PRO 69 HD2 0.02 0.06 0.21 -0.04 3.68 3.93 3gk7B1 PRO 69 HD3 0.09 0.16 0.20 -0.04 3.65 4.06 3gk7B1 GLU 70 H -0.05 0.08 -0.25 -0.55 8.60 7.83 3gk7B1 GLU 70 HA -0.12 0.08 0.37 -0.75 4.29 3.87 3gk7B1 GLU 70 HB2 -0.25 0.04 0.07 -0.04 2.09 1.91 3gk7B1 GLU 70 HB3 -0.12 -0.01 0.08 -0.04 1.99 1.89 3gk7B1 GLU 70 HG2 -0.32 0.07 -0.10 -0.04 2.34 1.94 3gk7B1 GLU 70 HG3 -0.26 0.01 -0.04 -0.04 2.34 2.01 3gk7B1 TYR 71 H 0.16 0.49 -0.40 -0.55 8.29 7.99 3gk7B1 TYR 71 HA 0.05 0.12 0.73 -0.75 4.56 4.70 3gk7B1 TYR 71 HB2 0.22 0.26 0.00 -0.04 3.06 3.50 3gk7B1 TYR 71 HB3 0.41 -0.06 0.18 -0.04 2.98 3.46 3gk7B1 TYR 71 HD2 0.15 0.03 0.01 -0.04 7.15 7.29 3gk7B1 TYR 71 HE2 0.11 0.03 -0.03 -0.04 6.85 6.92 3gk7B1 LYS 72 H 0.04 0.45 -0.24 -0.55 8.42 8.10 3gk7B1 LYS 72 HA 0.19 0.29 0.25 -0.75 4.32 4.30 3gk7B1 LYS 72 HB2 0.12 0.02 0.15 -0.04 1.87 2.12 3gk7B1 LYS 72 HB3 -0.06 -0.01 0.16 -0.04 1.79 1.85 3gk7B1 LYS 72 HG2 -0.03 0.03 0.06 -0.04 1.46 1.48 3gk7B1 LYS 72 HG3 0.02 -0.02 -0.20 -0.04 1.46 1.22 3gk7B1 LYS 72 HD2 0.02 -0.02 0.04 -0.04 1.69 1.68 3gk7B1 LYS 72 HD3 -0.11 -0.02 0.06 -0.04 1.68 1.57 3gk7B1 LYS 72 HE2 -0.02 -0.03 -0.01 -0.04 2.99 2.89 3gk7B1 LYS 72 HE3 0.02 0.01 -0.04 -0.04 2.99 2.94 3gk7B1 GLU 73 H 0.02 0.08 -0.28 -0.55 8.60 7.87 3gk7B1 GLU 73 HA 0.02 0.14 0.75 -0.75 4.29 4.45 3gk7B1 GLU 73 HB2 -0.02 0.01 0.04 -0.04 2.09 2.09 3gk7B1 GLU 73 HB3 -0.01 0.00 0.07 -0.04 1.99 2.02 3gk7B1 GLU 73 HG2 0.00 0.03 0.01 -0.04 2.34 2.33 3gk7B1 GLU 73 HG3 -0.01 -0.03 -0.02 -0.04 2.34 2.25 3gk7B1 ASN 74 H 0.01 0.34 -0.14 -0.55 8.53 8.19 3gk7B1 ASN 74 HA -0.13 0.21 0.66 -0.75 4.76 4.75 3gk7B1 ASN 74 HB2 -0.38 -0.01 0.15 -0.04 2.88 2.60 3gk7B1 ASN 74 HB3 -0.53 0.09 0.08 -0.04 2.79 2.40 3gk7B1 ASN 74 HD21 -0.06 -0.15 -0.09 -0.04 7.03 6.70 3gk7B1 ASN 74 HD22 -0.09 0.54 0.09 -0.04 7.74 8.24 3gk7B1 PHE 75 H 0.12 0.67 0.19 -0.55 8.34 8.77 3gk7B1 PHE 75 HA 0.06 0.31 0.89 -0.75 4.62 5.13 3gk7B1 PHE 75 HB2 0.18 0.16 0.02 -0.04 3.15 3.47 3gk7B1 PHE 75 HB3 0.10 -0.07 -0.10 -0.04 3.06 2.95 3gk7B1 PHE 75 HD2 0.04 0.09 -0.05 -0.04 7.28 7.31 3gk7B1 PHE 75 HE2 -0.09 -0.01 -0.11 -0.04 7.38 7.13 3gk7B1 PHE 75 HZ 0.28 0.23 -0.28 -0.04 7.32 7.52 3gk7B1 THR 76 H 0.17 0.56 0.07 -0.55 8.28 8.54 3gk7B1 THR 76 HA 0.18 0.26 0.75 -0.75 4.39 4.83 3gk7B1 THR 76 HB 0.05 -0.09 0.00 -0.04 4.32 4.24 3gk7B1 THR 76 HG23 0.03 0.04 -0.16 -0.04 1.22 1.10 3gk7B1 PHE 77 H 0.27 0.23 0.04 -0.55 8.34 8.33 3gk7B1 PHE 77 HA -0.11 0.17 0.70 -0.75 4.62 4.63 3gk7B1 PHE 77 HB2 0.11 -0.02 -0.00 -0.04 3.15 3.20 3gk7B1 PHE 77 HB3 -0.01 -0.02 0.18 -0.04 3.06 3.17 3gk7B1 PHE 77 HD2 -0.16 0.04 -0.05 -0.04 7.28 7.07 3gk7B1 PHE 77 HE2 -0.67 -0.04 -0.15 -0.04 7.38 6.48 3gk7B1 PHE 77 HZ -0.13 0.00 -0.08 -0.04 7.32 7.07 3gk7B1 GLU 78 H -0.63 0.75 0.25 -0.55 8.60 8.42 3gk7B1 GLU 78 HA -0.48 0.17 0.72 -0.75 4.29 3.95 3gk7B1 GLU 78 HB2 -0.20 0.07 -0.12 -0.04 2.09 1.80 3gk7B1 GLU 78 HB3 -0.37 -0.02 0.04 -0.04 1.99 1.59 3gk7B1 GLU 78 HG2 -0.13 -0.05 -0.31 -0.04 2.34 1.81 3gk7B1 GLU 78 HG3 -0.10 -0.00 -0.18 -0.04 2.34 2.02 3gk7B1 GLY 79 H -0.96 0.65 0.14 -0.55 8.43 7.72 3gk7B1 GLY 79 HA2 -0.81 0.10 0.62 -0.51 4.01 3.41 3gk7B1 GLY 79 HA3 -0.34 -0.03 0.27 -0.51 4.01 3.41 3gk7B1 TRP 80 H -0.25 0.69 0.44 -0.55 7.97 8.30 3gk7B1 TRP 80 HA -0.36 0.29 0.91 -0.75 4.62 4.71 3gk7B1 TRP 80 HB2 -0.15 -0.08 0.02 -0.04 3.23 2.98 3gk7B1 TRP 80 HB3 -0.11 -0.04 0.15 -0.04 3.23 3.18 3gk7B1 TRP 80 HD1 -0.42 0.05 -0.40 -0.04 7.22 6.40 3gk7B1 TRP 80 HE1 -0.82 0.06 -0.12 -0.04 10.20 9.28 3gk7B1 TRP 80 HE3 -0.46 -0.13 -0.10 -0.04 7.59 6.86 3gk7B1 TRP 80 HZ2 -1.02 0.10 -0.10 -0.04 7.44 6.38 3gk7B1 TRP 80 HZ3 -0.88 -0.08 -0.11 -0.04 7.13 6.03 3gk7B1 TRP 80 HH2 -0.43 0.09 -0.13 -0.04 7.19 6.68 3gk7B1 PHE 81 H 0.27 0.22 -0.06 -0.55 8.34 8.22 3gk7B1 PHE 81 HA 0.36 0.11 0.40 -0.75 4.62 4.74 3gk7B1 PHE 81 HB2 0.09 0.11 -0.13 -0.04 3.15 3.18 3gk7B1 PHE 81 HB3 0.13 -0.24 -0.00 -0.04 3.06 2.91 3gk7B1 PHE 81 HD2 0.11 0.02 -0.16 -0.04 7.28 7.21 3gk7B1 PHE 81 HE2 0.12 0.05 -0.07 -0.04 7.38 7.44 3gk7B1 PHE 81 HZ 0.12 0.04 0.03 -0.04 7.32 7.47 3gk7B1 THR 82 H 0.01 0.63 0.09 -0.55 8.28 8.46 3gk7B1 THR 82 HA 0.32 0.19 0.78 -0.75 4.39 4.93 3gk7B1 THR 82 HB 0.24 0.01 -0.12 -0.04 4.32 4.41 3gk7B1 THR 82 HG23 -0.14 0.12 -0.35 -0.04 1.22 0.81 3gk7B1 SER 83 H 0.09 0.13 0.20 -0.55 8.46 8.33 3gk7B1 SER 83 HA 0.13 0.25 0.60 -0.75 4.49 4.72 3gk7B1 SER 83 HB2 0.11 0.10 0.23 -0.04 3.95 4.35 3gk7B1 SER 83 HB3 0.22 0.07 0.06 -0.04 3.93 4.24 3gk7B1 PRO 84 HA 0.01 0.09 0.40 -0.51 4.44 4.43 3gk7B1 PRO 84 HB2 0.02 0.06 0.08 -0.04 2.28 2.40 3gk7B1 PRO 84 HB3 0.03 0.06 0.11 -0.04 2.02 2.18 3gk7B1 PRO 84 HG2 0.06 0.06 0.12 -0.04 2.03 2.22 3gk7B1 PRO 84 HG3 0.08 0.06 0.12 -0.04 2.03 2.25 3gk7B1 PRO 84 HD2 0.07 0.15 0.24 -0.04 3.68 4.10 3gk7B1 PRO 84 HD3 0.10 0.15 0.26 -0.04 3.65 4.13 3gk7B1 SER 85 H -0.02 0.11 -0.26 -0.55 8.46 7.74 3gk7B1 SER 85 HA -0.07 0.17 0.46 -0.75 4.49 4.30 3gk7B1 SER 85 HB2 -0.10 0.24 -0.11 -0.04 3.95 3.93 3gk7B1 SER 85 HB3 -0.05 0.00 -0.03 -0.04 3.93 3.82 3gk7B1 THR 86 H -0.09 0.25 -0.20 -0.55 8.28 7.69 3gk7B1 THR 86 HA -0.31 0.31 1.01 -0.75 4.39 4.63 3gk7B1 THR 86 HB -1.29 0.04 0.06 -0.04 4.32 3.09 3gk7B1 THR 86 HG23 -0.41 0.01 -0.19 -0.04 1.22 0.59 3gk7B1 ARG 87 H -0.08 0.50 0.13 -0.55 8.46 8.46 3gk7B1 ARG 87 HA -0.05 0.05 0.35 -0.75 4.34 3.94 3gk7B1 ARG 87 HB2 -0.25 0.19 0.10 -0.04 1.90 1.90 3gk7B1 ARG 87 HB3 -0.10 -0.04 0.03 -0.04 1.80 1.65 3gk7B1 ARG 87 HG2 -0.09 0.06 0.03 -0.04 1.67 1.63 3gk7B1 ARG 87 HG3 -0.17 -0.00 -0.15 -0.04 1.67 1.30 3gk7B1 ARG 87 HD2 -0.62 0.10 -0.00 -0.04 3.22 2.66 3gk7B1 ARG 87 HD3 -0.10 0.01 -0.08 -0.04 3.22 3.00 3gk7B1 GLY 88 H -0.09 0.17 -0.32 -0.55 8.43 7.64 3gk7B1 GLY 88 HA2 -0.08 0.05 0.40 -0.51 4.01 3.87 3gk7B1 GLY 88 HA3 -0.05 0.09 0.23 -0.51 4.01 3.78 3gk7B1 SER 89 H -0.10 0.26 -0.29 -0.55 8.46 7.78 3gk7B1 SER 89 HA -0.46 0.04 0.39 -0.75 4.49 3.71 3gk7B1 SER 89 HB2 -0.49 0.02 0.06 -0.04 3.95 3.50 3gk7B1 SER 89 HB3 -0.09 0.16 0.14 -0.04 3.93 4.09 3gk7B1 ILE 90 H -0.06 0.22 -0.30 -0.55 8.25 7.57 3gk7B1 ILE 90 HA -0.04 0.32 0.37 -0.75 4.18 4.07 3gk7B1 ILE 90 HB -0.07 0.08 0.09 -0.04 1.89 1.96 3gk7B1 ILE 90 HG12 0.11 0.01 -0.52 -0.04 1.49 1.05 3gk7B1 ILE 90 HG13 0.15 -0.07 -0.23 -0.04 1.21 1.01 3gk7B1 ILE 90 HG23 -0.06 -0.01 -0.14 -0.04 0.93 0.68 3gk7B1 ILE 90 HD13 0.20 -0.03 -0.15 -0.04 0.88 0.86 3gk7B1 ALA 91 H -0.10 0.37 -0.05 -0.55 8.40 8.08 3gk7B1 ALA 91 HA -0.07 0.05 0.49 -0.75 4.34 4.05 3gk7B1 ALA 91 HB3 -0.09 -0.00 0.11 -0.04 1.41 1.39 3gk7B1 GLU 92 H -0.05 0.39 -0.18 -0.55 8.60 8.21 3gk7B1 GLU 92 HA 0.03 0.07 0.53 -0.75 4.29 4.17 3gk7B1 GLU 92 HB2 0.13 -0.01 0.12 -0.04 2.09 2.30 3gk7B1 GLU 92 HB3 0.19 -0.04 0.09 -0.04 1.99 2.20 3gk7B1 GLU 92 HG2 0.06 -0.04 0.02 -0.04 2.34 2.34 3gk7B1 GLU 92 HG3 0.03 0.04 0.04 -0.04 2.34 2.40 3gk7B1 GLY 93 H -0.06 0.35 -0.19 -0.55 8.43 7.98 3gk7B1 GLY 93 HA2 0.00 0.08 0.32 -0.51 4.01 3.90 3gk7B1 GLY 93 HA3 0.05 0.13 0.71 -0.51 4.01 4.39 3gk7B1 HIS 94 H -0.01 0.06 -0.03 -0.55 8.41 7.88 3gk7B1 HIS 94 HA 0.05 0.16 0.69 -0.75 4.63 4.77 3gk7B1 HIS 94 HB2 0.07 0.04 0.14 -0.04 3.26 3.47 3gk7B1 HIS 94 HB3 0.04 -0.02 0.05 -0.04 3.20 3.23 3gk7B1 HIS 94 HD2 0.11 0.05 -0.24 -0.04 6.97 6.84 3gk7B1 HIS 94 HE1 0.02 -0.06 -0.01 -0.04 7.75 7.65 3gk7B1 GLY 95 H -0.32 0.44 -0.05 -0.55 8.43 7.95 3gk7B1 GLY 95 HA2 0.06 0.18 0.87 -0.51 4.01 4.61 3gk7B1 GLY 95 HA3 0.00 -0.18 0.07 -0.51 4.01 3.40 3gk7B1 GLN 96 H -0.07 0.78 0.30 -0.55 8.47 8.94 3gk7B1 GLN 96 HA 0.01 0.21 0.89 -0.75 4.36 4.71 3gk7B1 GLN 96 HB2 -0.11 -0.06 0.03 -0.04 2.15 1.97 3gk7B1 GLN 96 HB3 -0.03 -0.03 0.02 -0.04 2.02 1.94 3gk7B1 GLN 96 HG2 -0.01 -0.01 -0.35 -0.04 2.40 1.99 3gk7B1 GLN 96 HG3 -0.02 -0.01 -0.12 -0.04 2.39 2.19 3gk7B1 GLN 96 HE21 0.02 -0.01 -0.07 -0.04 6.97 6.86 3gk7B1 GLN 96 HE22 0.03 0.07 -0.29 -0.04 7.69 7.45 3gk7B1 PHE 97 H 0.09 0.29 0.14 -0.55 8.34 8.30 3gk7B1 PHE 97 HA -0.10 0.22 0.91 -0.75 4.62 4.89 3gk7B1 PHE 97 HB2 -0.04 -0.03 -0.18 -0.04 3.15 2.87 3gk7B1 PHE 97 HB3 -0.04 0.02 0.04 -0.04 3.06 3.04 3gk7B1 PHE 97 HD2 -0.02 -0.01 -0.20 -0.04 7.28 7.01 3gk7B1 PHE 97 HE2 -0.03 -0.10 -0.16 -0.04 7.38 7.04 3gk7B1 PHE 97 HZ -0.05 -0.24 -0.00 -0.04 7.32 6.99 3gk7B1 VAL 98 H -0.48 0.71 0.20 -0.55 8.24 8.12 3gk7B1 VAL 98 HA -0.21 0.23 0.90 -0.75 4.13 4.30 3gk7B1 VAL 98 HB -0.03 -0.05 0.05 -0.04 2.12 2.05 3gk7B1 VAL 98 HG13 -0.07 -0.01 -0.27 -0.04 0.97 0.58 3gk7B1 VAL 98 HG23 0.04 0.01 -0.18 -0.04 0.95 0.79 3gk7B1 PRO 99 HA -0.20 -0.03 0.65 -0.51 4.44 4.36 3gk7B1 PRO 99 HB2 -0.12 0.01 0.10 -0.04 2.28 2.23 3gk7B1 PRO 99 HB3 0.04 -0.04 0.07 -0.04 2.02 2.05 3gk7B1 PRO 99 HG2 -0.03 0.05 0.09 -0.04 2.03 2.10 3gk7B1 PRO 99 HG3 0.12 0.04 0.02 -0.04 2.03 2.16 3gk7B1 PRO 99 HD2 -0.12 0.10 0.20 -0.04 3.68 3.82 3gk7B1 PRO 99 HD3 -0.10 0.34 0.21 -0.04 3.65 4.06 3gk7B1 VAL 100 H -0.13 0.24 0.23 -0.55 8.24 8.03 3gk7B1 VAL 100 HA -0.29 0.11 0.65 -0.75 4.13 3.84 3gk7B1 VAL 100 HB -0.23 0.13 -0.25 -0.04 2.12 1.73 3gk7B1 VAL 100 HG13 -0.11 0.03 -0.03 -0.04 0.97 0.82 3gk7B1 VAL 100 HG23 -0.25 0.04 -0.12 -0.04 0.95 0.58 3gk7B1 PHE 101 H -0.28 0.19 0.10 -0.55 8.34 7.80 3gk7B1 PHE 101 HA 0.12 0.09 0.59 -0.75 4.62 4.67 3gk7B1 PHE 101 HB2 -0.18 0.00 0.09 -0.04 3.15 3.02 3gk7B1 PHE 101 HB3 0.14 -0.09 0.02 -0.04 3.06 3.09 3gk7B1 PHE 101 HD2 0.05 -0.01 0.03 -0.04 7.28 7.31 3gk7B1 PHE 101 HE2 0.05 0.05 0.00 -0.04 7.38 7.44 3gk7B1 PHE 101 HZ 0.04 0.06 -0.01 -0.04 7.32 7.37 3gk7B1 PHE 102 H 0.47 0.52 0.22 -0.55 8.34 9.00 3gk7B1 PHE 102 HA 0.13 0.11 0.31 -0.75 4.62 4.41 3gk7B1 PHE 102 HB2 0.22 -0.06 -0.19 -0.04 3.15 3.07 3gk7B1 PHE 102 HB3 0.21 -0.01 -0.04 -0.04 3.06 3.17 3gk7B1 PHE 102 HD2 0.16 0.00 0.05 -0.04 7.28 7.45 3gk7B1 PHE 102 HE2 0.12 -0.01 0.01 -0.04 7.38 7.46 3gk7B1 PHE 102 HZ -0.62 -0.02 0.02 -0.04 7.32 6.66 3gk7B1 HIS 103 H 0.30 0.10 -0.14 -0.55 8.41 8.13 3gk7B1 HIS 103 HA -0.08 0.03 0.04 -0.75 4.63 3.86 3gk7B1 HIS 103 HB2 -0.11 0.05 -0.22 -0.04 3.26 2.95 3gk7B1 HIS 103 HB3 -0.09 0.04 -0.05 -0.04 3.20 3.05 3gk7B1 HIS 103 HD2 -0.28 0.02 -0.19 -0.04 6.97 6.47 3gk7B1 HIS 103 HE1 -0.28 0.02 -0.03 -0.04 7.75 7.41 3gk7B1 GLU 104 H -0.30 0.23 -0.61 -0.55 8.60 7.38 3gk7B1 GLU 104 HA -0.32 0.12 0.52 -0.75 4.29 3.85 3gk7B1 GLU 104 HB2 -0.47 -0.08 0.02 -0.04 2.09 1.52 3gk7B1 GLU 104 HB3 -0.22 0.09 -0.01 -0.04 1.99 1.81 3gk7B1 GLU 104 HG2 -0.24 -0.03 0.03 -0.04 2.34 2.06 3gk7B1 GLU 104 HG3 -0.19 0.02 0.06 -0.04 2.34 2.18 3gk7B1 VAL 105 H 0.01 0.43 -0.24 -0.55 8.24 7.88 3gk7B1 VAL 105 HA -0.19 0.05 0.28 -0.75 4.13 3.51 3gk7B1 VAL 105 HB 0.23 0.02 0.12 -0.04 2.12 2.44 3gk7B1 VAL 105 HG13 -0.10 -0.01 -0.11 -0.04 0.97 0.71 3gk7B1 VAL 105 HG23 0.11 0.03 -0.02 -0.04 0.95 1.02 3gk7B1 PRO 106 HA 0.05 0.09 0.49 -0.51 4.44 4.55 3gk7B1 PRO 106 HB2 0.03 0.09 0.01 -0.04 2.28 2.37 3gk7B1 PRO 106 HB3 0.05 0.04 0.11 -0.04 2.02 2.18 3gk7B1 PRO 106 HG2 0.05 -0.13 0.09 -0.04 2.03 1.99 3gk7B1 PRO 106 HG3 0.11 0.00 0.16 -0.04 2.03 2.26 3gk7B1 PRO 106 HD2 0.01 0.33 -0.22 -0.04 3.68 3.76 3gk7B1 PRO 106 HD3 0.11 0.06 0.06 -0.04 3.65 3.83 3gk7B1 SER 107 H -0.05 0.19 -0.26 -0.55 8.46 7.79 3gk7B1 SER 107 HA -0.04 0.06 0.49 -0.75 4.49 4.25 3gk7B1 SER 107 HB2 -0.03 -0.02 0.10 -0.04 3.95 3.96 3gk7B1 SER 107 HB3 -0.11 0.13 0.15 -0.04 3.93 4.05 3gk7B1 LEU 108 H -0.23 0.47 -0.12 -0.55 8.37 7.94 3gk7B1 LEU 108 HA -0.28 0.04 0.36 -0.75 4.35 3.71 3gk7B1 LEU 108 HB2 -0.84 0.10 0.08 -0.04 1.64 0.93 3gk7B1 LEU 108 HB3 -1.08 -0.08 -0.02 -0.04 1.64 0.43 3gk7B1 LEU 108 HG -0.48 0.11 -0.07 -0.04 1.64 1.16 3gk7B1 LEU 108 HD13 -0.94 -0.00 -0.07 -0.04 0.93 -0.13 3gk7B1 LEU 108 HD23 -0.32 -0.02 -0.08 -0.04 0.89 0.43 3gk7B1 ILE 109 H -0.08 0.47 -0.13 -0.55 8.25 7.95 3gk7B1 ILE 109 HA 0.06 0.21 0.49 -0.75 4.18 4.19 3gk7B1 ILE 109 HB 0.02 0.01 0.13 -0.04 1.89 2.01 3gk7B1 ILE 109 HG12 0.16 0.18 -0.02 -0.04 1.49 1.76 3gk7B1 ILE 109 HG13 0.08 0.07 0.01 -0.04 1.21 1.32 3gk7B1 ILE 109 HG23 0.01 0.02 -0.22 -0.04 0.93 0.71 3gk7B1 ILE 109 HD13 0.12 -0.06 -0.11 -0.04 0.88 0.80 3gk7B1 ARG 110 H -0.02 0.54 -0.03 -0.55 8.46 8.40 3gk7B1 ARG 110 HA 0.00 0.07 0.35 -0.75 4.34 4.01 3gk7B1 ARG 110 HB2 -0.02 0.03 0.15 -0.04 1.90 2.03 3gk7B1 ARG 110 HB3 -0.01 -0.02 0.02 -0.04 1.80 1.76 3gk7B1 ARG 110 HG2 0.00 0.02 0.03 -0.04 1.67 1.68 3gk7B1 ARG 110 HG3 0.00 0.12 0.06 -0.04 1.67 1.81 3gk7B1 ARG 110 HD2 0.01 0.02 -0.01 -0.04 3.22 3.19 3gk7B1 ARG 110 HD3 0.01 -0.05 -0.03 -0.04 3.22 3.12 3gk7B1 LYS 111 H -0.06 0.45 -0.27 -0.55 8.42 7.99 3gk7B1 LYS 111 HA -0.03 0.07 0.43 -0.75 4.32 4.04 3gk7B1 LYS 111 HB2 -0.11 -0.03 0.08 -0.04 1.87 1.77 3gk7B1 LYS 111 HB3 -0.07 -0.03 0.07 -0.04 1.79 1.72 3gk7B1 LYS 111 HG2 -0.05 -0.02 0.01 -0.04 1.46 1.36 3gk7B1 LYS 111 HG3 -0.06 0.06 0.01 -0.04 1.46 1.44 3gk7B1 LYS 111 HD2 -0.12 -0.04 -0.18 -0.04 1.69 1.31 3gk7B1 LYS 111 HD3 -0.10 -0.02 -0.04 -0.04 1.68 1.48 3gk7B1 LYS 111 HE2 -0.05 0.02 -0.02 -0.04 2.99 2.89 3gk7B1 LYS 111 HE3 -0.05 -0.02 -0.04 -0.04 2.99 2.84 3gk7B1 ASP 112 H -0.00 0.42 -0.69 -0.55 8.40 7.58 3gk7B1 ASP 112 HA 0.09 0.09 0.11 -0.75 4.63 4.17 3gk7B1 ASP 112 HB2 0.05 0.04 -0.28 -0.04 2.71 2.48 3gk7B1 ASP 112 HB3 0.03 0.07 0.18 -0.04 2.70 2.93 3gk7B1 ILE 113 H -0.07 0.19 -0.32 -0.55 8.25 7.49 3gk7B1 ILE 113 HA -0.03 0.12 0.66 -0.75 4.18 4.18 3gk7B1 ILE 113 HB -0.30 -0.05 0.09 -0.04 1.89 1.59 3gk7B1 ILE 113 HG12 -0.11 0.00 -0.01 -0.04 1.49 1.34 3gk7B1 ILE 113 HG13 -0.10 0.11 -0.15 -0.04 1.21 1.04 3gk7B1 ILE 113 HG23 -0.28 -0.01 -0.14 -0.04 0.93 0.46 3gk7B1 ILE 113 HD13 -0.17 -0.02 -0.02 -0.04 0.88 0.62 3gk7B1 PHE 114 H -0.08 0.38 -0.24 -0.55 8.34 7.86 3gk7B1 PHE 114 HA 0.01 0.18 0.62 -0.75 4.62 4.67 3gk7B1 PHE 114 HB2 -0.22 -0.08 -0.29 -0.04 3.15 2.53 3gk7B1 PHE 114 HB3 -0.03 0.01 -0.04 -0.04 3.06 2.97 3gk7B1 PHE 114 HD2 -0.61 0.09 -0.11 -0.04 7.28 6.60 3gk7B1 PHE 114 HE2 -0.92 -0.03 -0.10 -0.04 7.38 6.29 3gk7B1 PHE 114 HZ -1.07 -0.01 -0.13 -0.04 7.32 6.07 3gk7B1 HIS 115 H 0.24 0.32 -0.57 -0.55 8.41 7.86 3gk7B1 HIS 115 HA 0.06 0.07 0.38 -0.75 4.63 4.39 3gk7B1 HIS 115 HB2 0.04 0.19 0.04 -0.04 3.26 3.49 3gk7B1 HIS 115 HB3 0.06 -0.04 0.03 -0.04 3.20 3.20 3gk7B1 HIS 115 HD2 0.03 -0.08 -0.14 -0.04 6.97 6.74 3gk7B1 HIS 115 HE1 0.03 0.03 -0.01 -0.04 7.75 7.76 3gk7B1 VAL 116 H -0.44 0.26 0.07 -0.55 8.24 7.58 3gk7B1 VAL 116 HA -0.08 0.20 0.88 -0.75 4.13 4.37 3gk7B1 VAL 116 HB -0.08 0.03 -0.00 -0.04 2.12 2.03 3gk7B1 VAL 116 HG13 0.07 -0.03 -0.31 -0.04 0.97 0.65 3gk7B1 VAL 116 HG23 0.05 0.04 -0.25 -0.04 0.95 0.74 3gk7B1 ASP 117 H -0.06 0.45 0.25 -0.55 8.40 8.49 3gk7B1 ASP 117 HA -0.04 0.09 0.79 -0.75 4.63 4.71 3gk7B1 ASP 117 HB2 0.04 0.04 0.23 -0.04 2.71 2.97 3gk7B1 ASP 117 HB3 0.05 0.04 0.09 -0.04 2.70 2.85 3gk7B1 VAL 118 H 0.01 0.42 0.24 -0.55 8.24 8.37 3gk7B1 VAL 118 HA 0.05 0.34 0.95 -0.75 4.13 4.71 3gk7B1 VAL 118 HB 0.01 -0.09 0.04 -0.04 2.12 2.03 3gk7B1 VAL 118 HG13 0.01 -0.02 -0.27 -0.04 0.97 0.65 3gk7B1 VAL 118 HG23 0.02 -0.00 -0.26 -0.04 0.95 0.67 3gk7B1 PHE 119 H 0.16 0.81 0.34 -0.55 8.34 9.09 3gk7B1 PHE 119 HA 0.04 0.23 1.04 -0.75 4.62 5.17 3gk7B1 PHE 119 HB2 0.03 0.02 -0.06 -0.04 3.15 3.10 3gk7B1 PHE 119 HB3 0.02 0.05 0.09 -0.04 3.06 3.18 3gk7B1 PHE 119 HD2 0.07 0.05 -0.18 -0.04 7.28 7.17 3gk7B1 PHE 119 HE2 0.16 0.00 -0.38 -0.04 7.38 7.12 3gk7B1 PHE 119 HZ 0.07 -0.24 -0.05 -0.04 7.32 7.06 3gk7B1 MET 120 H -0.28 0.64 0.36 -0.55 8.47 8.64 3gk7B1 MET 120 HA -0.25 0.37 1.10 -0.75 4.52 4.98 3gk7B1 MET 120 HB2 -0.23 -0.08 0.12 -0.04 2.15 1.91 3gk7B1 MET 120 HB3 -0.24 -0.06 -0.00 -0.04 2.03 1.69 3gk7B1 MET 120 HG2 -0.08 0.06 -0.38 -0.04 2.63 2.19 3gk7B1 MET 120 HG3 -0.01 0.04 -0.18 -0.04 2.56 2.37 3gk7B1 MET 120 HE3 -0.20 0.00 -0.24 -0.04 2.10 1.63 3gk7B1 VAL 121 H -0.27 0.72 0.41 -0.55 8.24 8.55 3gk7B1 VAL 121 HA -0.31 0.08 1.02 -0.75 4.13 4.16 3gk7B1 VAL 121 HB -0.57 -0.05 -0.25 -0.04 2.12 1.22 3gk7B1 VAL 121 HG13 -0.04 0.03 -0.13 -0.04 0.97 0.79 3gk7B1 VAL 121 HG23 0.01 0.02 -0.11 -0.04 0.95 0.82 3gk7B1 MET 122 H -0.12 0.62 0.31 -0.55 8.47 8.73 3gk7B1 MET 122 HA -0.06 0.16 1.06 -0.75 4.52 4.93 3gk7B1 MET 122 HB2 -0.07 -0.18 -0.10 -0.04 2.15 1.76 3gk7B1 MET 122 HB3 -0.08 0.06 0.06 -0.04 2.03 2.03 3gk7B1 MET 122 HG2 -0.07 0.05 -0.11 -0.04 2.63 2.45 3gk7B1 MET 122 HG3 -0.05 0.03 0.07 -0.04 2.56 2.57 3gk7B1 MET 122 HE3 -0.05 0.00 0.01 -0.04 2.10 2.02 3gk7B1 VAL 123 H -0.00 0.77 0.42 -0.55 8.24 8.88 3gk7B1 VAL 123 HA -0.02 0.23 0.87 -0.75 4.13 4.45 3gk7B1 VAL 123 HB 0.04 -0.03 -0.10 -0.04 2.12 1.98 3gk7B1 VAL 123 HG13 0.03 -0.03 -0.41 -0.04 0.97 0.52 3gk7B1 VAL 123 HG23 0.11 0.02 -0.25 -0.04 0.95 0.79 3gk7B1 SER 124 H -0.01 0.65 0.28 -0.55 8.46 8.85 3gk7B1 SER 124 HA -0.00 0.24 0.69 -0.75 4.49 4.65 3gk7B1 SER 124 HB2 0.01 0.08 0.07 -0.04 3.95 4.08 3gk7B1 SER 124 HB3 -0.01 0.08 -0.01 -0.04 3.93 3.96 3gk7B1 PRO 125 HA 0.03 0.09 0.52 -0.51 4.44 4.56 3gk7B1 PRO 125 HB2 0.00 0.12 -0.04 -0.04 2.28 2.32 3gk7B1 PRO 125 HB3 0.07 -0.02 0.04 -0.04 2.02 2.06 3gk7B1 PRO 125 HG2 0.02 0.06 0.01 -0.04 2.03 2.07 3gk7B1 PRO 125 HG3 0.03 -0.01 0.02 -0.04 2.03 2.04 3gk7B1 PRO 125 HD2 0.01 0.14 0.14 -0.04 3.68 3.93 3gk7B1 PRO 125 HD3 0.02 0.03 -0.26 -0.04 3.65 3.40 3gk7B1 PRO 126 HA -0.16 0.14 -0.09 -0.51 4.44 3.83 3gk7B1 PRO 126 HB2 -0.86 0.08 -0.13 -0.04 2.28 1.33 3gk7B1 PRO 126 HB3 -0.59 0.01 -0.25 -0.04 2.02 1.14 3gk7B1 PRO 126 HG2 -0.24 0.04 -0.01 -0.04 2.03 1.78 3gk7B1 PRO 126 HG3 -0.85 0.03 -0.02 -0.04 2.03 1.15 3gk7B1 PRO 126 HD2 -0.33 0.06 0.13 -0.04 3.68 3.50 3gk7B1 PRO 126 HD3 -0.36 0.14 0.09 -0.04 3.65 3.47 3gk7B1 ASP 127 H -0.11 0.54 0.17 -0.55 8.40 8.46 3gk7B1 ASP 127 HA 0.06 0.23 0.71 -0.75 4.63 4.87 3gk7B1 ASP 127 HB2 0.18 -0.08 0.21 -0.04 2.71 2.98 3gk7B1 ASP 127 HB3 0.06 0.14 0.14 -0.04 2.70 3.00 3gk7B1 HIS 128 H 0.44 0.17 0.14 -0.55 8.41 8.61 3gk7B1 HIS 128 HA 0.25 0.16 0.27 -0.75 4.63 4.56 3gk7B1 HIS 128 HB2 0.13 0.05 0.07 -0.04 3.26 3.47 3gk7B1 HIS 128 HB3 0.09 0.05 0.11 -0.04 3.20 3.40 3gk7B1 HIS 128 HD2 0.06 0.03 -0.05 -0.04 6.97 6.96 3gk7B1 HIS 128 HE1 -0.03 0.04 0.03 -0.04 7.75 7.75 3gk7B1 ASN 129 H -0.47 -0.01 -0.30 -0.55 8.53 7.21 3gk7B1 ASN 129 HA 0.00 0.25 0.74 -0.75 4.76 4.99 3gk7B1 ASN 129 HB2 -0.09 -0.05 0.00 -0.04 2.88 2.70 3gk7B1 ASN 129 HB3 0.01 0.03 0.12 -0.04 2.79 2.91 3gk7B1 ASN 129 HD21 -0.09 0.04 -0.02 -0.04 7.03 6.92 3gk7B1 ASN 129 HD22 -0.26 -0.01 -0.01 -0.04 7.74 7.41 3gk7B1 GLY 130 H -1.02 0.48 -0.40 -0.55 8.43 6.95 3gk7B1 GLY 130 HA2 -2.66 0.13 0.19 -0.51 4.01 1.16 3gk7B1 GLY 130 HA3 -2.18 0.07 0.49 -0.51 4.01 1.88 3gk7B1 PHE 131 H -0.31 -0.02 -0.17 -0.55 8.34 7.28 3gk7B1 PHE 131 HA -0.13 0.22 0.74 -0.75 4.62 4.69 3gk7B1 PHE 131 HB2 -0.19 -0.10 0.02 -0.04 3.15 2.83 3gk7B1 PHE 131 HB3 0.04 0.09 -0.14 -0.04 3.06 3.00 3gk7B1 PHE 131 HD2 -0.09 -0.08 -0.28 -0.04 7.28 6.80 3gk7B1 PHE 131 HE2 -0.08 0.02 -0.07 -0.04 7.38 7.20 3gk7B1 PHE 131 HZ -0.16 0.02 -0.05 -0.04 7.32 7.10 3gk7B1 CYS 132 H 0.06 0.73 0.27 -0.55 8.50 9.01 3gk7B1 CYS 132 HA 0.05 0.19 0.48 -0.75 4.58 4.54 3gk7B1 CYS 132 HB2 0.10 -0.00 0.00 -0.04 2.97 3.03 3gk7B1 CYS 132 HB3 0.08 0.12 -0.02 -0.04 2.97 3.10 3gk7B1 CYS 133 H 0.05 0.26 0.12 -0.55 8.50 8.38 3gk7B1 CYS 133 HA -0.17 0.30 1.01 -0.75 4.58 4.96 3gk7B1 CYS 133 HB2 0.12 -0.00 -0.09 -0.04 2.97 2.96 3gk7B1 CYS 133 HB3 -0.02 0.09 0.06 -0.04 2.97 3.05 3gk7B1 VAL 134 H -0.17 0.70 0.33 -0.55 8.24 8.56 3gk7B1 VAL 134 HA -0.04 0.21 0.75 -0.75 4.13 4.30 3gk7B1 VAL 134 HB -0.07 0.09 0.21 -0.04 2.12 2.32 3gk7B1 VAL 134 HG13 -0.01 -0.07 0.10 -0.04 0.97 0.95 3gk7B1 VAL 134 HG23 0.01 0.04 -0.03 -0.04 0.95 0.93 3gk7B1 GLY 135 H -0.18 0.10 -0.03 -0.55 8.43 7.78 3gk7B1 GLY 135 HA2 -0.12 -0.05 0.28 -0.51 4.01 3.62 3gk7B1 GLY 135 HA3 -0.10 0.24 0.17 -0.51 4.01 3.81 3gk7B1 VAL 136 H -0.07 0.45 -0.15 -0.55 8.24 7.92 3gk7B1 VAL 136 HA -0.02 0.22 0.86 -0.75 4.13 4.43 3gk7B1 VAL 136 HB -0.07 -0.04 0.16 -0.04 2.12 2.13 3gk7B1 VAL 136 HG13 -0.33 0.01 -0.16 -0.04 0.97 0.45 3gk7B1 VAL 136 HG23 -0.13 0.05 -0.11 -0.04 0.95 0.73 3gk7B1 SER 137 H -0.01 0.25 -0.10 -0.55 8.46 8.06 3gk7B1 SER 137 HA 0.18 0.08 0.82 -0.75 4.49 4.82 3gk7B1 SER 137 HB2 0.02 0.07 0.05 -0.04 3.95 4.04 3gk7B1 SER 137 HB3 0.06 -0.16 0.07 -0.04 3.93 3.86 3gk7B1 SER 138 H 0.11 0.46 0.28 -0.55 8.46 8.76 3gk7B1 SER 138 HA 0.01 0.22 0.66 -0.75 4.49 4.63 3gk7B1 SER 138 HB2 0.01 0.04 -0.23 -0.04 3.95 3.73 3gk7B1 SER 138 HB3 0.04 0.08 0.04 -0.04 3.93 4.05 3gk7B1 ASP 139 H 0.06 0.50 0.33 -0.55 8.40 8.73 3gk7B1 ASP 139 HA -0.07 -0.01 0.54 -0.75 4.63 4.34 3gk7B1 ASP 139 HB2 0.02 -0.02 0.20 -0.04 2.71 2.86 3gk7B1 ASP 139 HB3 0.10 0.13 0.12 -0.04 2.70 3.01 3gk7B1 TYR 140 H -0.15 0.11 0.20 -0.55 8.29 7.89 3gk7B1 TYR 140 HA 0.05 0.15 0.96 -0.75 4.56 4.96 3gk7B1 TYR 140 HB2 0.15 0.09 0.05 -0.04 3.06 3.31 3gk7B1 TYR 140 HB3 0.19 -0.01 0.07 -0.04 2.98 3.19 3gk7B1 TYR 140 HD2 0.25 -0.01 -0.19 -0.04 7.15 7.16 3gk7B1 TYR 140 HE2 0.22 0.07 -0.07 -0.04 6.85 7.02 3gk7B1 THR 141 H -0.21 0.03 -0.02 -0.55 8.28 7.54 3gk7B1 THR 141 HA 0.05 0.08 0.32 -0.75 4.39 4.08 3gk7B1 THR 141 HB 0.01 0.13 -0.07 -0.04 4.32 4.35 3gk7B1 THR 141 HG23 0.26 0.05 -0.14 -0.04 1.22 1.35 3gk7B1 MET 142 H 0.01 0.41 -0.15 -0.55 8.47 8.19 3gk7B1 MET 142 HA 0.03 0.12 0.35 -0.75 4.52 4.25 3gk7B1 MET 142 HB2 0.02 -0.07 0.02 -0.04 2.15 2.08 3gk7B1 MET 142 HB3 0.03 0.04 -0.02 -0.04 2.03 2.04 3gk7B1 MET 142 HG2 0.01 0.00 0.09 -0.04 2.63 2.69 3gk7B1 MET 142 HG3 0.01 0.16 -0.02 -0.04 2.56 2.66 3gk7B1 MET 142 HE3 0.04 -0.02 -0.33 -0.04 2.10 1.75 3gk7B1 GLN 143 H 0.03 0.06 -0.23 -0.55 8.47 7.78 3gk7B1 GLN 143 HA 0.00 0.11 0.48 -0.75 4.36 4.19 3gk7B1 GLN 143 HB2 0.04 -0.08 0.11 -0.04 2.15 2.18 3gk7B1 GLN 143 HB3 0.06 0.03 0.11 -0.04 2.02 2.18 3gk7B1 GLN 143 HG2 0.02 0.05 0.08 -0.04 2.40 2.51 3gk7B1 GLN 143 HG3 0.00 0.05 -0.17 -0.04 2.39 2.24 3gk7B1 GLN 143 HE21 0.01 0.05 -0.01 -0.04 6.97 6.97 3gk7B1 GLN 143 HE22 -0.00 0.01 -0.01 -0.04 7.69 7.65 3gk7B1 ALA 144 H -0.10 0.44 -0.18 -0.55 8.40 8.01 3gk7B1 ALA 144 HA -0.19 0.05 0.32 -0.75 4.34 3.76 3gk7B1 ALA 144 HB3 -0.87 0.01 -0.02 -0.04 1.41 0.49 3gk7B1 ILE 145 H -0.22 0.35 -0.31 -0.55 8.25 7.52 3gk7B1 ILE 145 HA 0.04 0.03 0.33 -0.75 4.18 3.82 3gk7B1 ILE 145 HB 0.03 0.09 0.11 -0.04 1.89 2.07 3gk7B1 ILE 145 HG12 0.29 0.00 -0.09 -0.04 1.49 1.65 3gk7B1 ILE 145 HG13 0.21 0.05 -0.04 -0.04 1.21 1.38 3gk7B1 ILE 145 HG23 0.08 0.01 -0.18 -0.04 0.93 0.80 3gk7B1 ILE 145 HD13 0.15 -0.04 -0.18 -0.04 0.88 0.77 3gk7B1 LYS 146 H -0.02 0.23 -0.19 -0.55 8.42 7.89 3gk7B1 LYS 146 HA 0.02 0.05 0.40 -0.75 4.32 4.04 3gk7B1 LYS 146 HB2 0.00 0.05 0.14 -0.04 1.87 2.02 3gk7B1 LYS 146 HB3 0.01 -0.03 0.02 -0.04 1.79 1.75 3gk7B1 LYS 146 HG2 0.03 -0.03 0.02 -0.04 1.46 1.44 3gk7B1 LYS 146 HG3 0.02 0.08 0.08 -0.04 1.46 1.61 3gk7B1 LYS 146 HD2 0.02 -0.05 -0.01 -0.04 1.69 1.60 3gk7B1 LYS 146 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.65 3gk7B1 LYS 146 HE2 0.03 -0.01 -0.02 -0.04 2.99 2.95 3gk7B1 LYS 146 HE3 0.03 0.02 -0.04 -0.04 2.99 2.97 3gk7B1 SER 147 H -0.04 0.38 -0.16 -0.55 8.46 8.09 3gk7B1 SER 147 HA -0.00 0.11 0.53 -0.75 4.49 4.38 3gk7B1 SER 147 HB2 -0.03 -0.06 -0.04 -0.04 3.95 3.78 3gk7B1 SER 147 HB3 -0.01 -0.00 -0.02 -0.04 3.93 3.85 3gk7B1 ALA 148 H -0.05 0.48 -0.13 -0.55 8.40 8.16 3gk7B1 ALA 148 HA -0.06 0.13 0.41 -0.75 4.34 4.06 3gk7B1 ALA 148 HB3 0.06 -0.04 -0.09 -0.04 1.41 1.29 3gk7B1 LYS 149 H -0.04 0.36 0.29 -0.55 8.42 8.48 3gk7B1 LYS 149 HA 0.02 0.07 0.58 -0.75 4.32 4.24 3gk7B1 LYS 149 HB2 0.02 0.12 0.38 -0.04 1.87 2.35 3gk7B1 LYS 149 HB3 0.04 -0.07 0.14 -0.04 1.79 1.86 3gk7B1 LYS 149 HG2 0.07 -0.02 0.10 -0.04 1.46 1.57 3gk7B1 LYS 149 HG3 0.01 0.10 0.16 -0.04 1.46 1.69 3gk7B1 LYS 149 HD2 0.17 -0.06 0.10 -0.04 1.69 1.86 3gk7B1 LYS 149 HD3 0.10 -0.03 0.07 -0.04 1.68 1.79 3gk7B1 LYS 149 HE2 0.14 -0.02 0.04 -0.04 2.99 3.11 3gk7B1 LYS 149 HE3 0.48 0.02 0.02 -0.04 2.99 3.46 3gk7B1 ILE 150 H 0.03 0.31 0.07 -0.55 8.25 8.12 3gk7B1 ILE 150 HA 0.02 0.16 0.80 -0.75 4.18 4.42 3gk7B1 ILE 150 HB 0.03 0.04 0.15 -0.04 1.89 2.07 3gk7B1 ILE 150 HG12 0.02 0.01 0.01 -0.04 1.49 1.49 3gk7B1 ILE 150 HG13 0.03 0.01 -0.43 -0.04 1.21 0.78 3gk7B1 ILE 150 HG23 0.01 -0.04 -0.22 -0.04 0.93 0.63 3gk7B1 ILE 150 HD13 0.03 -0.01 -0.02 -0.04 0.88 0.83 3gk7B1 VAL 151 H 0.01 0.21 0.15 -0.55 8.24 8.06 3gk7B1 VAL 151 HA 0.09 0.23 1.09 -0.75 4.13 4.79 3gk7B1 VAL 151 HB 0.02 0.00 0.27 -0.04 2.12 2.36 3gk7B1 VAL 151 HG13 0.08 -0.03 -0.19 -0.04 0.97 0.78 3gk7B1 VAL 151 HG23 0.14 0.02 -0.06 -0.04 0.95 1.01 3gk7B1 LEU 152 H -0.05 0.72 0.31 -0.55 8.37 8.81 3gk7B1 LEU 152 HA -0.13 0.17 0.98 -0.75 4.35 4.61 3gk7B1 LEU 152 HB2 -0.10 -0.10 0.06 -0.04 1.64 1.46 3gk7B1 LEU 152 HB3 -0.08 -0.03 -0.05 -0.04 1.64 1.44 3gk7B1 LEU 152 HG -0.03 0.01 -0.24 -0.04 1.64 1.34 3gk7B1 LEU 152 HD13 -0.02 -0.03 -0.25 -0.04 0.93 0.59 3gk7B1 LEU 152 HD23 -0.04 0.02 -0.13 -0.04 0.89 0.70 3gk7B1 ALA 153 H -0.21 0.73 0.29 -0.55 8.40 8.67 3gk7B1 ALA 153 HA -0.11 0.35 1.18 -0.75 4.34 5.02 3gk7B1 ALA 153 HB3 -0.11 0.01 -0.06 -0.04 1.41 1.21 3gk7B1 GLU 154 H -0.07 0.61 0.35 -0.55 8.60 8.94 3gk7B1 GLU 154 HA 0.01 0.20 0.95 -0.75 4.29 4.69 3gk7B1 GLU 154 HB2 -0.05 -0.11 0.06 -0.04 2.09 1.95 3gk7B1 GLU 154 HB3 -0.04 -0.02 0.20 -0.04 1.99 2.09 3gk7B1 GLU 154 HG2 0.02 0.06 -0.28 -0.04 2.34 2.11 3gk7B1 GLU 154 HG3 0.03 0.10 -0.04 -0.04 2.34 2.39 3gk7B1 VAL 155 H 0.08 0.55 0.11 -0.55 8.24 8.43 3gk7B1 VAL 155 HA 0.08 0.33 0.68 -0.75 4.13 4.46 3gk7B1 VAL 155 HB 0.16 -0.08 0.02 -0.04 2.12 2.18 3gk7B1 VAL 155 HG13 0.16 0.01 -0.27 -0.04 0.97 0.83 3gk7B1 VAL 155 HG23 0.40 0.02 -0.18 -0.04 0.95 1.14 3gk7B1 ASN 156 H -0.01 0.86 0.31 -0.55 8.53 9.15 3gk7B1 ASN 156 HA -0.07 0.30 0.83 -0.75 4.76 5.07 3gk7B1 ASN 156 HB2 -0.17 -0.05 -0.14 -0.04 2.88 2.47 3gk7B1 ASN 156 HB3 -0.14 0.10 0.09 -0.04 2.79 2.80 3gk7B1 ASN 156 HD21 -0.65 0.51 -0.02 -0.04 7.03 6.83 3gk7B1 ASN 156 HD22 -0.44 0.02 -0.07 -0.04 7.74 7.20 3gk7B1 ASP 157 H -0.03 0.40 0.30 -0.55 8.40 8.52 3gk7B1 ASP 157 HA -0.01 0.17 0.52 -0.75 4.63 4.56 3gk7B1 ASP 157 HB2 0.01 0.03 0.19 -0.04 2.71 2.90 3gk7B1 ASP 157 HB3 0.02 0.03 0.13 -0.04 2.70 2.84 3gk7B1 GLN 158 H -0.10 -0.03 -0.56 -0.55 8.47 7.24 3gk7B1 GLN 158 HA -0.03 0.22 0.81 -0.75 4.36 4.61 3gk7B1 GLN 158 HB2 -0.11 0.21 -0.04 -0.04 2.15 2.17 3gk7B1 GLN 158 HB3 -0.03 -0.07 0.04 -0.04 2.02 1.92 3gk7B1 GLN 158 HG2 -0.02 0.12 -0.23 -0.04 2.40 2.23 3gk7B1 GLN 158 HG3 -0.06 -0.16 -0.19 -0.04 2.39 1.95 3gk7B1 GLN 158 HE21 0.02 0.03 -0.20 -0.04 6.97 6.79 3gk7B1 GLN 158 HE22 0.00 -0.02 -0.28 -0.04 7.69 7.35 3gk7B1 VAL 159 H -0.07 0.41 -0.10 -0.55 8.24 7.92 3gk7B1 VAL 159 HA -0.10 0.03 0.46 -0.75 4.13 3.77 3gk7B1 VAL 159 HB -0.05 0.03 0.00 -0.04 2.12 2.06 3gk7B1 VAL 159 HG13 -0.08 0.04 -0.21 -0.04 0.97 0.68 3gk7B1 VAL 159 HG23 -0.10 -0.04 -0.12 -0.04 0.95 0.64 3gk7B1 PRO 160 HA -0.02 0.11 0.47 -0.51 4.44 4.49 3gk7B1 PRO 160 HB2 -0.03 0.06 -0.14 -0.04 2.28 2.12 3gk7B1 PRO 160 HB3 0.00 0.04 -0.02 -0.04 2.02 2.00 3gk7B1 PRO 160 HG2 -0.07 -0.01 -0.13 -0.04 2.03 1.78 3gk7B1 PRO 160 HG3 -0.03 -0.02 -0.04 -0.04 2.03 1.90 3gk7B1 PRO 160 HD2 -0.14 0.03 0.12 -0.04 3.68 3.65 3gk7B1 PRO 160 HD3 -0.10 0.16 0.16 -0.04 3.65 3.84 3gk7B1 VAL 161 H -0.00 0.18 0.12 -0.55 8.24 7.98 3gk7B1 VAL 161 HA 0.01 0.08 0.73 -0.75 4.13 4.20 3gk7B1 VAL 161 HB 0.07 -0.01 0.18 -0.04 2.12 2.31 3gk7B1 VAL 161 HG13 0.30 -0.01 -0.12 -0.04 0.97 1.09 3gk7B1 VAL 161 HG23 0.09 0.02 -0.03 -0.04 0.95 0.99 3gk7B1 VAL 162 H -0.10 0.19 0.07 -0.55 8.24 7.84 3gk7B1 VAL 162 HA -0.22 0.11 0.84 -0.75 4.13 4.12 3gk7B1 VAL 162 HB -0.10 -0.03 -0.01 -0.04 2.12 1.94 3gk7B1 VAL 162 HG13 -0.10 0.07 -0.15 -0.04 0.97 0.76 3gk7B1 VAL 162 HG23 -0.08 -0.00 -0.44 -0.04 0.95 0.38 3gk7B1 TYR 163 H -0.26 0.24 0.13 -0.55 8.29 7.85 3gk7B1 TYR 163 HA 0.21 0.03 0.32 -0.75 4.56 4.36 3gk7B1 TYR 163 HB2 0.01 0.27 0.14 -0.04 3.06 3.44 3gk7B1 TYR 163 HB3 0.05 -0.06 0.12 -0.04 2.98 3.04 3gk7B1 TYR 163 HD2 0.06 0.06 -0.11 -0.04 7.15 7.12 3gk7B1 TYR 163 HE2 -0.00 -0.00 -0.21 -0.04 6.85 6.59 3gk7B1 GLY 164 H 0.26 0.15 0.23 -0.55 8.43 8.52 3gk7B1 GLY 164 HA2 0.06 0.01 0.32 -0.51 4.01 3.90 3gk7B1 GLY 164 HA3 0.05 0.36 0.93 -0.51 4.01 4.84 3gk7B1 ASP 165 H 0.00 0.61 0.23 -0.55 8.40 8.70 3gk7B1 ASP 165 HA 0.05 0.09 0.73 -0.75 4.63 4.75 3gk7B1 ASP 165 HB2 -0.01 0.02 0.18 -0.04 2.71 2.85 3gk7B1 ASP 165 HB3 -0.00 -0.09 0.25 -0.04 2.70 2.82 3gk7B1 THR 166 H -0.10 0.29 0.08 -0.55 8.28 7.99 3gk7B1 THR 166 HA -0.13 0.18 0.82 -0.75 4.39 4.50 3gk7B1 THR 166 HB -0.36 -0.34 0.14 -0.04 4.32 3.72 3gk7B1 THR 166 HG23 -0.12 0.02 -0.46 -0.04 1.22 0.62 3gk7B1 PHE 167 H 0.05 0.06 0.15 -0.55 8.34 8.05 3gk7B1 PHE 167 HA 0.06 0.39 0.92 -0.75 4.62 5.24 3gk7B1 PHE 167 HB2 -0.10 -0.02 0.09 -0.04 3.15 3.08 3gk7B1 PHE 167 HB3 0.02 0.00 -0.06 -0.04 3.06 2.98 3gk7B1 PHE 167 HD2 -0.02 0.09 -0.09 -0.04 7.28 7.22 3gk7B1 PHE 167 HE2 0.02 -0.02 -0.04 -0.04 7.38 7.29 3gk7B1 PHE 167 HZ 0.10 -0.02 -0.20 -0.04 7.32 7.16 3gk7B1 VAL 168 H 0.26 0.69 0.26 -0.55 8.24 8.90 3gk7B1 VAL 168 HA 0.23 0.13 0.85 -0.75 4.13 4.59 3gk7B1 VAL 168 HB 0.12 0.01 -0.19 -0.04 2.12 2.03 3gk7B1 VAL 168 HG13 0.11 -0.01 -0.14 -0.04 0.97 0.89 3gk7B1 VAL 168 HG23 0.12 0.05 -0.21 -0.04 0.95 0.87 3gk7B1 HIS 169 H 0.25 0.16 0.10 -0.55 8.41 8.37 3gk7B1 HIS 169 HA -0.40 0.20 0.63 -0.75 4.63 4.31 3gk7B1 HIS 169 HB2 -0.29 0.02 0.07 -0.04 3.26 3.02 3gk7B1 HIS 169 HB3 -0.11 -0.02 0.05 -0.04 3.20 3.06 3gk7B1 HIS 169 HD2 -2.06 -0.06 -0.25 -0.04 6.97 4.55 3gk7B1 HIS 169 HE1 -0.05 -0.02 0.03 -0.04 7.75 7.67 3gk7B1 VAL 170 H -0.88 0.54 0.33 -0.55 8.24 7.68 3gk7B1 VAL 170 HA 0.27 0.08 0.29 -0.75 4.13 4.02 3gk7B1 VAL 170 HB 0.17 0.06 0.01 -0.04 2.12 2.31 3gk7B1 VAL 170 HG13 -0.29 0.05 0.03 -0.04 0.97 0.72 3gk7B1 VAL 170 HG23 -0.19 0.02 0.04 -0.04 0.95 0.78 3gk7B1 SER 171 H 0.02 -0.01 -0.33 -0.55 8.46 7.60 3gk7B1 SER 171 HA 0.16 0.16 0.39 -0.75 4.49 4.45 3gk7B1 SER 171 HB2 0.14 0.06 0.08 -0.04 3.95 4.19 3gk7B1 SER 171 HB3 0.25 -0.07 0.06 -0.04 3.93 4.13 3gk7B1 GLU 172 H 0.12 0.41 -0.45 -0.55 8.60 8.13 3gk7B1 GLU 172 HA 0.08 0.15 0.60 -0.75 4.29 4.36 3gk7B1 GLU 172 HB2 0.10 0.05 -0.05 -0.04 2.09 2.16 3gk7B1 GLU 172 HB3 0.08 0.05 0.05 -0.04 1.99 2.14 3gk7B1 GLU 172 HG2 0.09 0.06 -0.06 -0.04 2.34 2.39 3gk7B1 GLU 172 HG3 0.14 -0.14 -0.03 -0.04 2.34 2.27 3gk7B1 ILE 173 H 0.10 0.43 -0.32 -0.55 8.25 7.91 3gk7B1 ILE 173 HA -0.06 0.12 0.86 -0.75 4.18 4.34 3gk7B1 ILE 173 HB -0.15 0.06 0.00 -0.04 1.89 1.77 3gk7B1 ILE 173 HG12 -0.04 -0.01 -0.21 -0.04 1.49 1.18 3gk7B1 ILE 173 HG13 0.05 -0.05 -0.46 -0.04 1.21 0.71 3gk7B1 ILE 173 HG23 -0.76 -0.03 -0.20 -0.04 0.93 -0.10 3gk7B1 ILE 173 HD13 0.13 -0.03 -0.22 -0.04 0.88 0.72 3gk7B1 ASP 174 H -0.12 0.43 0.33 -0.55 8.40 8.50 3gk7B1 ASP 174 HA -0.02 0.15 0.67 -0.75 4.63 4.68 3gk7B1 ASP 174 HB2 -0.05 0.05 0.16 -0.04 2.71 2.83 3gk7B1 ASP 174 HB3 -0.01 -0.02 0.05 -0.04 2.70 2.68 3gk7B1 LYS 175 H -0.26 0.26 0.28 -0.55 8.42 8.14 3gk7B1 LYS 175 HA -0.06 0.42 0.84 -0.75 4.32 4.77 3gk7B1 LYS 175 HB2 -0.08 -0.17 0.03 -0.04 1.87 1.61 3gk7B1 LYS 175 HB3 -0.03 0.02 0.07 -0.04 1.79 1.82 3gk7B1 LYS 175 HG2 -0.02 0.32 -0.52 -0.04 1.46 1.20 3gk7B1 LYS 175 HG3 -0.04 -0.07 -0.19 -0.04 1.46 1.13 3gk7B1 LYS 175 HD2 -0.00 -0.06 -0.04 -0.04 1.69 1.54 3gk7B1 LYS 175 HD3 0.00 0.02 -0.06 -0.04 1.68 1.60 3gk7B1 LYS 175 HE2 0.01 0.08 -0.05 -0.04 2.99 2.99 3gk7B1 LYS 175 HE3 0.01 -0.02 -0.05 -0.04 2.99 2.89 3gk7B1 PHE 176 H 0.11 0.75 0.32 -0.55 8.34 8.97 3gk7B1 PHE 176 HA -0.01 0.21 0.98 -0.75 4.62 5.05 3gk7B1 PHE 176 HB2 -0.21 0.04 0.01 -0.04 3.15 2.94 3gk7B1 PHE 176 HB3 -0.06 -0.08 -0.04 -0.04 3.06 2.84 3gk7B1 PHE 176 HD2 0.06 0.02 -0.21 -0.04 7.28 7.11 3gk7B1 PHE 176 HE2 0.11 0.05 -0.16 -0.04 7.38 7.34 3gk7B1 PHE 176 HZ 0.10 0.07 0.05 -0.04 7.32 7.51 3gk7B1 VAL 177 H 0.08 0.58 0.33 -0.55 8.24 8.68 3gk7B1 VAL 177 HA 0.03 0.36 1.00 -0.75 4.13 4.77 3gk7B1 VAL 177 HB 0.00 -0.06 0.11 -0.04 2.12 2.13 3gk7B1 VAL 177 HG13 0.01 -0.02 -0.11 -0.04 0.97 0.80 3gk7B1 VAL 177 HG23 -0.00 0.02 -0.46 -0.04 0.95 0.47 3gk7B1 GLU 178 H 0.03 0.23 0.15 -0.55 8.60 8.46 3gk7B1 GLU 178 HA 0.07 0.20 0.66 -0.75 4.29 4.46 3gk7B1 GLU 178 HB2 0.02 -0.02 0.16 -0.04 2.09 2.21 3gk7B1 GLU 178 HB3 0.05 0.03 0.04 -0.04 1.99 2.07 3gk7B1 GLU 178 HG2 0.11 0.04 0.01 -0.04 2.34 2.46 3gk7B1 GLU 178 HG3 0.01 -0.02 -0.03 -0.04 2.34 2.25 3gk7B1 THR 179 H 0.03 0.84 0.47 -0.55 8.28 9.08 3gk7B1 THR 179 HA 0.05 0.16 0.77 -0.75 4.39 4.61 3gk7B1 THR 179 HB 0.16 -0.07 0.06 -0.04 4.32 4.42 3gk7B1 THR 179 HG23 0.06 0.03 -0.30 -0.04 1.22 0.97 3gk7B1 SER 180 H 0.07 0.24 0.05 -0.55 8.46 8.28 3gk7B1 SER 180 HA -0.08 -0.06 0.61 -0.75 4.49 4.21 3gk7B1 SER 180 HB2 0.01 0.09 -0.08 -0.04 3.95 3.93 3gk7B1 SER 180 HB3 0.02 0.01 0.10 -0.04 3.93 4.02 3gk7B1 HIS 181 H -0.30 0.26 0.10 -0.55 8.41 7.92 3gk7B1 HIS 181 HA 0.00 0.14 0.52 -0.75 4.63 4.54 3gk7B1 HIS 181 HB2 -0.01 0.07 0.10 -0.04 3.26 3.39 3gk7B1 HIS 181 HB3 -0.01 0.04 -0.09 -0.04 3.20 3.10 3gk7B1 HIS 181 HD2 -0.02 -0.07 -0.17 -0.04 6.97 6.66 3gk7B1 HIS 181 HE1 -0.05 0.05 -0.01 -0.04 7.75 7.69 3gk7B1 PRO 182 HA 0.03 0.06 0.51 -0.51 4.44 4.53 3gk7B1 PRO 182 HB2 0.08 0.13 -0.02 -0.04 2.28 2.43 3gk7B1 PRO 182 HB3 0.06 0.00 0.11 -0.04 2.02 2.15 3gk7B1 PRO 182 HG2 0.07 0.03 0.04 -0.04 2.03 2.12 3gk7B1 PRO 182 HG3 0.05 0.03 0.06 -0.04 2.03 2.14 3gk7B1 PRO 182 HD2 0.12 0.09 0.22 -0.04 3.68 4.06 3gk7B1 PRO 182 HD3 0.06 0.13 0.11 -0.04 3.65 3.92 3gk7B1 LEU 183 H 0.05 0.07 0.14 -0.55 8.37 8.08 3gk7B1 LEU 183 HA 0.04 0.17 0.64 -0.75 4.35 4.45 3gk7B1 LEU 183 HB2 -0.04 -0.10 0.03 -0.04 1.64 1.49 3gk7B1 LEU 183 HB3 -0.18 0.08 0.10 -0.04 1.64 1.60 3gk7B1 LEU 183 HG -0.12 0.03 -0.01 -0.04 1.64 1.50 3gk7B1 LEU 183 HD13 -0.44 -0.00 -0.01 -0.04 0.93 0.43 3gk7B1 LEU 183 HD23 -0.12 0.01 -0.17 -0.04 0.89 0.57 3gk7B1 PRO 184 HA 0.06 0.05 0.45 -0.51 4.44 4.50 3gk7B1 PRO 184 HB2 0.04 0.01 0.00 -0.04 2.28 2.29 3gk7B1 PRO 184 HB3 0.02 0.04 0.10 -0.04 2.02 2.13 3gk7B1 PRO 184 HG2 0.02 -0.06 0.11 -0.04 2.03 2.06 3gk7B1 PRO 184 HG3 -0.01 0.02 0.08 -0.04 2.03 2.09 3gk7B1 PRO 184 HD2 -0.03 0.15 0.29 -0.04 3.68 4.05 3gk7B1 PRO 184 HD3 0.03 0.17 0.22 -0.04 3.65 4.03 3gk7B1 GLU 185 H 0.06 0.16 0.24 -0.55 8.60 8.52 3gk7B1 GLU 185 HA 0.12 0.32 1.05 -0.75 4.29 5.03 3gk7B1 GLU 185 HB2 0.03 -0.03 0.05 -0.04 2.09 2.10 3gk7B1 GLU 185 HB3 -0.01 -0.02 0.16 -0.04 1.99 2.09 3gk7B1 GLU 185 HG2 0.06 -0.05 -0.05 -0.04 2.34 2.26 3gk7B1 GLU 185 HG3 0.11 0.22 -0.16 -0.04 2.34 2.47 3gk7B1 ILE 186 H 0.01 0.44 0.18 -0.55 8.25 8.33 3gk7B1 ILE 186 HA 0.02 0.18 0.87 -0.75 4.18 4.50 3gk7B1 ILE 186 HB 0.03 0.04 0.05 -0.04 1.89 1.97 3gk7B1 ILE 186 HG12 0.03 -0.03 -0.04 -0.04 1.49 1.40 3gk7B1 ILE 186 HG13 -0.01 -0.05 -0.07 -0.04 1.21 1.05 3gk7B1 ILE 186 HG23 0.05 0.01 -0.12 -0.04 0.93 0.83 3gk7B1 ILE 186 HD13 0.03 0.02 -0.09 -0.04 0.88 0.79 3gk7B1 GLY 187 H 0.01 0.13 0.09 -0.55 8.43 8.11 3gk7B1 GLY 187 HA2 -0.01 0.06 0.45 -0.51 4.01 3.99 3gk7B1 GLY 187 HA3 -0.00 0.08 0.28 -0.51 4.01 3.87 3gk7B1 LEU 188 H -0.01 0.13 0.15 -0.55 8.37 8.09 3gk7B1 LEU 188 HA -0.02 0.08 0.69 -0.75 4.35 4.34 3gk7B1 LEU 188 HB2 -0.02 0.04 0.08 -0.04 1.64 1.70 3gk7B1 LEU 188 HB3 -0.02 0.06 0.07 -0.04 1.64 1.70 3gk7B1 LEU 188 HG -0.03 -0.05 0.10 -0.04 1.64 1.62 3gk7B1 LEU 188 HD13 -0.03 0.02 0.01 -0.04 0.93 0.89 3gk7B1 LEU 188 HD23 -0.04 -0.01 -0.01 -0.04 0.89 0.78 3gk7B1 PRO 189 HA 0.00 0.09 0.39 -0.51 4.44 4.42 3gk7B1 PRO 189 HB2 0.00 0.10 -0.06 -0.04 2.28 2.28 3gk7B1 PRO 189 HB3 0.01 -0.01 0.06 -0.04 2.02 2.03 3gk7B1 PRO 189 HG2 -0.01 0.08 -0.18 -0.04 2.03 1.88 3gk7B1 PRO 189 HG3 0.00 -0.17 -0.36 -0.04 2.03 1.46 3gk7B1 PRO 189 HD2 -0.01 0.08 0.16 -0.04 3.68 3.87 3gk7B1 PRO 189 HD3 -0.01 0.16 0.21 -0.04 3.65 3.97 3gk7B1 LYS 190 H 0.00 0.10 0.15 -0.55 8.42 8.12 3gk7B1 LYS 190 HA -0.01 0.16 0.73 -0.75 4.32 4.45 3gk7B1 ILE 191 H -0.01 0.25 0.10 -0.55 8.25 8.05 3gk7B1 ILE 191 HA -0.01 0.03 0.86 -0.75 4.18 4.31 3gk7B1 ILE 191 HB -0.01 0.04 0.12 -0.04 1.89 2.00 3gk7B1 ILE 191 HG12 -0.01 0.01 -0.08 -0.04 1.49 1.38 3gk7B1 ILE 191 HG13 -0.01 0.01 -0.27 -0.04 1.21 0.90 3gk7B1 ILE 191 HG23 -0.02 0.01 -0.16 -0.04 0.93 0.73 3gk7B1 ILE 191 HD13 -0.02 0.01 -0.16 -0.04 0.88 0.66 3gk7B1 GLY 192 H -0.00 0.07 0.11 -0.55 8.43 8.06 3gk7B1 GLY 192 HA2 -0.01 0.26 0.69 -0.51 4.01 4.44 3gk7B1 GLY 192 HA3 -0.00 -0.00 0.36 -0.51 4.01 3.85 3gk7B1 GLU 193 H -0.01 0.21 0.17 -0.55 8.60 8.42 3gk7B1 GLU 193 HA -0.02 0.16 0.44 -0.75 4.29 4.12 3gk7B1 GLU 193 HB2 -0.01 0.04 0.16 -0.04 2.09 2.24 3gk7B1 GLU 193 HB3 -0.01 -0.01 0.08 -0.04 1.99 2.01 3gk7B1 GLU 193 HG2 -0.03 0.02 -0.01 -0.04 2.34 2.28 3gk7B1 GLU 193 HG3 -0.03 0.03 0.08 -0.04 2.34 2.38 3gk7B1 VAL 194 H -0.01 0.06 -0.09 -0.55 8.24 7.65 3gk7B1 VAL 194 HA -0.06 0.14 0.49 -0.75 4.13 3.95 3gk7B1 VAL 194 HB -0.00 -0.06 0.12 -0.04 2.12 2.14 3gk7B1 VAL 194 HG13 -0.01 0.01 -0.04 -0.04 0.97 0.89 3gk7B1 VAL 194 HG23 0.00 0.03 0.08 -0.04 0.95 1.02 3gk7B1 GLU 195 H -0.01 0.02 -0.21 -0.55 8.60 7.86 3gk7B1 GLU 195 HA -0.01 0.06 0.37 -0.75 4.29 3.96 3gk7B1 GLU 195 HB2 -0.01 -0.02 0.08 -0.04 2.09 2.10 3gk7B1 GLU 195 HB3 -0.01 0.13 -0.16 -0.04 1.99 1.91 3gk7B1 GLU 195 HG2 0.00 -0.09 -0.11 -0.04 2.34 2.10 3gk7B1 GLU 195 HG3 0.00 0.04 -0.06 -0.04 2.34 2.28 3gk7B1 ALA 196 H -0.03 0.53 -0.19 -0.55 8.40 8.17 3gk7B1 ALA 196 HA -0.03 0.05 0.39 -0.75 4.34 3.99 3gk7B1 ALA 196 HB3 -0.04 0.03 0.03 -0.04 1.41 1.40 3gk7B1 ALA 197 H -0.06 0.50 -0.18 -0.55 8.40 8.11 3gk7B1 ALA 197 HA -0.16 0.06 0.48 -0.75 4.34 3.96 3gk7B1 ALA 197 HB3 -0.10 0.04 0.18 -0.04 1.41 1.50 3gk7B1 ILE 198 H -0.02 0.41 -0.12 -0.55 8.25 7.97 3gk7B1 ILE 198 HA 0.12 0.13 0.27 -0.75 4.18 3.95 3gk7B1 ILE 198 HB 0.01 0.05 0.05 -0.04 1.89 1.95 3gk7B1 ILE 198 HG12 0.05 -0.00 -0.45 -0.04 1.49 1.04 3gk7B1 ILE 198 HG13 0.01 0.12 -0.10 -0.04 1.21 1.20 3gk7B1 ILE 198 HG23 0.04 -0.01 -0.29 -0.04 0.93 0.63 3gk7B1 ILE 198 HD13 0.02 -0.06 -0.29 -0.04 0.88 0.50 3gk7B1 GLY 199 H -0.02 0.58 -0.26 -0.55 8.43 8.18 3gk7B1 GLY 199 HA2 -0.01 -0.06 0.26 -0.51 4.01 3.69 3gk7B1 GLY 199 HA3 -0.03 0.09 -0.09 -0.51 4.01 3.47 3gk7B1 LYS 200 H -0.09 0.42 -0.25 -0.55 8.42 7.95 3gk7B1 LYS 200 HA -0.07 0.06 0.45 -0.75 4.32 4.01 3gk7B1 LYS 200 HB2 -0.12 0.02 0.11 -0.04 1.87 1.84 3gk7B1 LYS 200 HB3 -0.28 0.09 0.14 -0.04 1.79 1.71 3gk7B1 LYS 200 HG2 -0.15 0.01 -0.14 -0.04 1.46 1.14 3gk7B1 LYS 200 HG3 -0.08 0.00 0.04 -0.04 1.46 1.38 3gk7B1 LYS 200 HD2 -0.09 -0.03 -0.01 -0.04 1.69 1.52 3gk7B1 LYS 200 HD3 -0.17 -0.01 -0.01 -0.04 1.68 1.46 3gk7B1 LYS 200 HE2 -0.08 0.02 -0.04 -0.04 2.99 2.85 3gk7B1 LYS 200 HE3 -0.05 0.01 -0.02 -0.04 2.99 2.89 3gk7B1 HIS 201 H -0.18 0.52 -0.12 -0.55 8.41 8.09 3gk7B1 HIS 201 HA -0.02 0.04 0.47 -0.75 4.63 4.37 3gk7B1 HIS 201 HB2 -0.01 0.07 0.07 -0.04 3.26 3.35 3gk7B1 HIS 201 HB3 -0.01 -0.06 -0.11 -0.04 3.20 2.98 3gk7B1 HIS 201 HD2 -0.03 0.02 -0.15 -0.04 6.97 6.77 3gk7B1 HIS 201 HE1 0.01 -0.01 -0.09 -0.04 7.75 7.62 3gk7B1 CYS 202 H 0.05 0.56 -0.19 -0.55 8.50 8.36 3gk7B1 CYS 202 HA -0.01 0.01 0.32 -0.75 4.58 4.15 3gk7B1 CYS 202 HB2 0.00 0.08 0.08 -0.04 2.97 3.10 3gk7B1 CYS 202 HB3 -0.00 -0.04 -0.10 -0.04 2.97 2.78 3gk7B1 ALA 203 H -0.01 0.59 -0.19 -0.55 8.40 8.24 3gk7B1 ALA 203 HA -0.02 -0.02 0.35 -0.75 4.34 3.89 3gk7B1 ALA 203 HB3 -0.03 0.04 0.08 -0.04 1.41 1.46 3gk7B1 SER 204 H -0.01 0.36 -0.39 -0.55 8.46 7.88 3gk7B1 SER 204 HA -0.01 0.04 0.39 -0.75 4.49 4.15 3gk7B1 SER 204 HB2 0.01 -0.09 0.10 -0.04 3.95 3.93 3gk7B1 SER 204 HB3 0.01 0.03 0.11 -0.04 3.93 4.05 3gk7B1 LEU 205 H -0.04 0.41 -0.58 -0.55 8.37 7.61 3gk7B1 LEU 205 HA -0.08 0.10 0.69 -0.75 4.35 4.30 3gk7B1 LEU 205 HB2 -0.13 0.14 0.03 -0.04 1.64 1.64 3gk7B1 LEU 205 HB3 -0.24 -0.07 0.07 -0.04 1.64 1.36 3gk7B1 LEU 205 HG -0.12 0.10 -0.14 -0.04 1.64 1.44 3gk7B1 LEU 205 HD13 -0.38 -0.05 -0.10 -0.04 0.93 0.36 3gk7B1 LEU 205 HD23 -0.26 0.00 -0.07 -0.04 0.89 0.52 3gk7B1 ILE 206 H -0.03 0.47 -0.27 -0.55 8.25 7.87 3gk7B1 ILE 206 HA -0.01 0.09 0.73 -0.75 4.18 4.23 3gk7B1 ILE 206 HB -0.02 0.10 0.15 -0.04 1.89 2.09 3gk7B1 ILE 206 HG12 -0.01 -0.01 -0.13 -0.04 1.49 1.30 3gk7B1 ILE 206 HG13 -0.03 0.09 -0.21 -0.04 1.21 1.02 3gk7B1 ILE 206 HG23 -0.00 -0.03 -0.16 -0.04 0.93 0.70 3gk7B1 ILE 206 HD13 -0.01 -0.05 -0.18 -0.04 0.88 0.59 3gk7B1 GLU 207 H 0.00 0.16 0.11 -0.55 8.60 8.33 3gk7B1 GLU 207 HA 0.00 0.18 0.88 -0.75 4.29 4.59 3gk7B1 GLU 207 HB2 0.01 -0.07 0.15 -0.04 2.09 2.14 3gk7B1 GLU 207 HB3 0.01 0.02 0.00 -0.04 1.99 1.98 3gk7B1 GLU 207 HG2 0.01 -0.02 0.05 -0.04 2.34 2.35 3gk7B1 GLU 207 HG3 0.02 0.19 -0.11 -0.04 2.34 2.40 3gk7B1 ASP 208 H 0.02 0.08 0.16 -0.55 8.40 8.11 3gk7B1 ASP 208 HA 0.03 0.02 0.59 -0.75 4.63 4.51 3gk7B1 ASP 208 HB2 0.05 -0.02 0.11 -0.04 2.71 2.81 3gk7B1 ASP 208 HB3 0.08 0.09 0.09 -0.04 2.70 2.92 3gk7B1 GLY 209 H 0.07 0.39 0.12 -0.55 8.43 8.48 3gk7B1 GLY 209 HA2 0.09 0.21 0.31 -0.51 4.01 4.12 3gk7B1 GLY 209 HA3 0.06 0.03 0.39 -0.51 4.01 3.97 3gk7B1 SER 210 H 0.04 0.28 -0.31 -0.55 8.46 7.91 3gk7B1 SER 210 HA 0.03 0.17 0.51 -0.75 4.49 4.44 3gk7B1 SER 210 HB2 0.02 -0.13 0.04 -0.04 3.95 3.84 3gk7B1 SER 210 HB3 0.03 0.03 -0.00 -0.04 3.93 3.94 3gk7B1 THR 211 H 0.04 0.56 0.15 -0.55 8.28 8.48 3gk7B1 THR 211 HA 0.06 -0.02 0.75 -0.75 4.39 4.44 3gk7B1 THR 211 HB 0.06 -0.04 -0.02 -0.04 4.32 4.27 3gk7B1 THR 211 HG23 0.12 -0.04 -0.24 -0.04 1.22 1.01 3gk7B1 LEU 212 H 0.06 0.62 0.26 -0.55 8.37 8.77 3gk7B1 LEU 212 HA 0.03 0.34 0.95 -0.75 4.35 4.91 3gk7B1 LEU 212 HB2 0.01 -0.07 0.09 -0.04 1.64 1.63 3gk7B1 LEU 212 HB3 -0.00 -0.04 -0.04 -0.04 1.64 1.51 3gk7B1 LEU 212 HG 0.03 0.09 -0.09 -0.04 1.64 1.63 3gk7B1 LEU 212 HD13 0.00 -0.03 -0.11 -0.04 0.93 0.76 3gk7B1 LEU 212 HD23 0.01 0.02 -0.16 -0.04 0.89 0.72 3gk7B1 GLN 213 H -0.02 0.70 0.47 -0.55 8.47 9.07 3gk7B1 GLN 213 HA -0.14 0.07 0.65 -0.75 4.36 4.18 3gk7B1 GLN 213 HB2 -0.33 0.39 0.28 -0.04 2.15 2.45 3gk7B1 GLN 213 HB3 -0.30 -0.06 0.26 -0.04 2.02 1.88 3gk7B1 GLN 213 HG2 -0.58 -0.14 0.22 -0.04 2.40 1.86 3gk7B1 GLN 213 HG3 -2.61 -0.02 0.14 -0.04 2.39 -0.14 3gk7B1 GLN 213 HE21 -0.11 0.01 -0.11 -0.04 6.97 6.72 3gk7B1 GLN 213 HE22 -0.24 -0.09 -0.08 -0.04 7.69 7.24 3gk7B1 LEU 214 H -0.12 0.33 0.25 -0.55 8.37 8.28 3gk7B1 LEU 214 HA -0.07 0.28 0.54 -0.75 4.35 4.34 3gk7B1 LEU 214 HB2 -0.03 -0.08 0.08 -0.04 1.64 1.58 3gk7B1 LEU 214 HB3 -0.03 0.11 0.26 -0.04 1.64 1.94 3gk7B1 LEU 214 HG -0.03 0.05 -0.35 -0.04 1.64 1.26 3gk7B1 LEU 214 HD13 -0.04 -0.00 -0.09 -0.04 0.93 0.76 3gk7B1 LEU 214 HD23 -0.02 -0.00 -0.08 -0.04 0.89 0.75 3gk7B1 GLY 215 H -0.01 0.16 0.12 -0.55 8.43 8.15 3gk7B1 GLY 215 HA2 -0.02 0.16 0.74 -0.51 4.01 4.38 3gk7B1 GLY 215 HA3 0.03 -0.03 0.42 -0.51 4.01 3.92 3gk7B1 ILE 216 H 0.04 0.16 0.20 -0.55 8.25 8.11 3gk7B1 ILE 216 HA -0.00 0.19 0.93 -0.75 4.18 4.54 3gk7B1 ILE 216 HB 0.02 -0.00 0.07 -0.04 1.89 1.94 3gk7B1 ILE 216 HG12 0.08 0.00 0.01 -0.04 1.49 1.54 3gk7B1 ILE 216 HG13 0.07 -0.04 0.09 -0.04 1.21 1.29 3gk7B1 ILE 216 HG23 -0.01 -0.00 -0.09 -0.04 0.93 0.78 3gk7B1 ILE 216 HD13 0.07 0.01 -0.07 -0.04 0.88 0.85 3gk7B1 GLY 217 H 0.01 0.15 0.17 -0.55 8.43 8.21 3gk7B1 GLY 217 HA2 0.02 0.08 0.36 -0.51 4.01 3.96 3gk7B1 GLY 217 HA3 0.03 0.22 0.91 -0.51 4.01 4.65 3gk7B1 ALA 218 H 0.01 0.20 0.15 -0.55 8.40 8.22 3gk7B1 ALA 218 HA -0.00 0.11 0.26 -0.75 4.34 3.95 3gk7B1 ALA 218 HB3 0.00 0.02 0.11 -0.04 1.41 1.50 3gk7B1 ILE 219 H 0.01 0.08 -0.19 -0.55 8.25 7.60 3gk7B1 ILE 219 HA 0.00 0.09 0.34 -0.75 4.18 3.86 3gk7B1 ILE 219 HB 0.02 0.02 0.00 -0.04 1.89 1.89 3gk7B1 ILE 219 HG12 0.01 0.03 -0.10 -0.04 1.49 1.40 3gk7B1 ILE 219 HG13 0.01 -0.14 -0.04 -0.04 1.21 1.00 3gk7B1 ILE 219 HG23 0.02 0.03 -0.28 -0.04 0.93 0.66 3gk7B1 ILE 219 HD13 0.02 0.02 -0.11 -0.04 0.88 0.77 3gk7B1 PRO 220 HA -0.00 0.13 0.38 -0.51 4.44 4.43 3gk7B1 PRO 220 HB2 -0.01 0.12 -0.19 -0.04 2.28 2.16 3gk7B1 PRO 220 HB3 -0.01 -0.01 -0.04 -0.04 2.02 1.93 3gk7B1 PRO 220 HG2 0.00 0.02 -0.43 -0.04 2.03 1.58 3gk7B1 PRO 220 HG3 0.01 -0.07 -0.46 -0.04 2.03 1.48 3gk7B1 PRO 220 HD2 0.01 -0.10 -0.46 -0.04 3.68 3.09 3gk7B1 PRO 220 HD3 0.02 0.12 -0.11 -0.04 3.65 3.64 3gk7B1 ASP 221 H -0.01 0.42 -0.37 -0.55 8.40 7.90 3gk7B1 ASP 221 HA -0.02 -0.01 0.43 -0.75 4.63 4.27 3gk7B1 ASP 221 HB2 -0.01 0.07 0.06 -0.04 2.71 2.78 3gk7B1 ASP 221 HB3 -0.02 0.02 -0.05 -0.04 2.70 2.61 3gk7B1 ALA 222 H -0.01 0.53 -0.23 -0.55 8.40 8.15 3gk7B1 ALA 222 HA -0.02 0.01 0.40 -0.75 4.34 3.97 3gk7B1 ALA 222 HB3 -0.02 0.00 -0.03 -0.04 1.41 1.33 3gk7B1 VAL 223 H -0.01 0.47 -0.14 -0.55 8.24 8.01 3gk7B1 VAL 223 HA -0.02 0.09 0.41 -0.75 4.13 3.86 3gk7B1 VAL 223 HB -0.01 0.03 0.08 -0.04 2.12 2.19 3gk7B1 VAL 223 HG13 -0.01 0.02 -0.22 -0.04 0.97 0.71 3gk7B1 VAL 223 HG23 -0.00 0.06 -0.08 -0.04 0.95 0.89 3gk7B1 LEU 224 H -0.02 0.53 -0.17 -0.55 8.37 8.17 3gk7B1 LEU 224 HA -0.02 0.05 0.27 -0.75 4.35 3.90 3gk7B1 LEU 224 HB2 -0.03 0.05 0.08 -0.04 1.64 1.70 3gk7B1 LEU 224 HB3 -0.03 -0.00 -0.08 -0.04 1.64 1.49 3gk7B1 LEU 224 HG -0.02 0.18 -0.01 -0.04 1.64 1.74 3gk7B1 LEU 224 HD13 -0.03 -0.06 -0.29 -0.04 0.93 0.51 3gk7B1 LEU 224 HD23 -0.02 0.01 -0.11 -0.04 0.89 0.72 3gk7B1 SER 225 H -0.02 0.46 -0.29 -0.55 8.46 8.05 3gk7B1 SER 225 HA -0.03 -0.00 0.38 -0.75 4.49 4.09 3gk7B1 SER 225 HB2 -0.03 -0.07 0.09 -0.04 3.95 3.91 3gk7B1 SER 225 HB3 -0.02 0.03 0.11 -0.04 3.93 4.01 3gk7B1 GLN 226 H -0.03 0.48 -0.58 -0.55 8.47 7.80 3gk7B1 GLN 226 HA -0.03 0.09 0.72 -0.75 4.36 4.38 3gk7B1 GLN 226 HB2 -0.03 0.18 -0.01 -0.04 2.15 2.25 3gk7B1 GLN 226 HB3 -0.04 -0.05 0.10 -0.04 2.02 2.00 3gk7B1 GLN 226 HG2 -0.03 0.14 -0.11 -0.04 2.40 2.36 3gk7B1 GLN 226 HG3 -0.05 -0.11 -0.31 -0.04 2.39 1.88 3gk7B1 GLN 226 HE21 -0.04 -0.04 -0.06 -0.04 6.97 6.79 3gk7B1 GLN 226 HE22 -0.04 -0.04 -0.08 -0.04 7.69 7.49 3gk7B1 LEU 227 H -0.02 0.43 -0.32 -0.55 8.37 7.91 3gk7B1 LEU 227 HA -0.02 0.20 0.77 -0.75 4.35 4.54 3gk7B1 LEU 227 HB2 -0.02 0.17 0.11 -0.04 1.64 1.85 3gk7B1 LEU 227 HB3 -0.02 -0.07 0.08 -0.04 1.64 1.59 3gk7B1 LEU 227 HG -0.01 -0.01 -0.04 -0.04 1.64 1.54 3gk7B1 LEU 227 HD13 -0.02 0.06 -0.15 -0.04 0.93 0.78 3gk7B1 LEU 227 HD23 -0.01 -0.03 -0.20 -0.04 0.89 0.61 3gk7B1 LYS 228 H -0.03 0.19 -0.23 -0.55 8.42 7.80 3gk7B1 LYS 228 HA -0.03 0.09 0.31 -0.75 4.32 3.94 3gk7B1 LYS 228 HB2 -0.03 0.01 0.04 -0.04 1.87 1.84 3gk7B1 LYS 228 HB3 -0.03 0.02 0.08 -0.04 1.79 1.82 3gk7B1 LYS 228 HG2 -0.03 -0.01 0.02 -0.04 1.46 1.39 3gk7B1 LYS 228 HG3 -0.03 0.05 0.02 -0.04 1.46 1.46 3gk7B1 LYS 228 HD2 -0.03 -0.01 0.03 -0.04 1.69 1.63 3gk7B1 LYS 228 HD3 -0.03 -0.06 0.02 -0.04 1.68 1.56 3gk7B1 LYS 228 HE2 -0.03 0.10 0.14 -0.04 2.99 3.17 3gk7B1 LYS 228 HE3 -0.03 0.02 0.08 -0.04 2.99 3.03 3gk7B1 ASP 229 H -0.03 0.07 -0.45 -0.55 8.40 7.44 3gk7B1 ASP 229 HA -0.03 0.16 0.74 -0.75 4.63 4.74 3gk7B1 ASP 229 HB2 -0.02 -0.02 0.09 -0.04 2.71 2.72 3gk7B1 ASP 229 HB3 -0.02 -0.05 -0.00 -0.04 2.70 2.58 3gk7B1 LYS 230 H -0.03 0.43 -0.26 -0.55 8.42 8.00 3gk7B1 LYS 230 HA -0.03 0.09 0.65 -0.75 4.32 4.28 3gk7B1 LYS 230 HB2 -0.02 0.16 0.12 -0.04 1.87 2.08 3gk7B1 LYS 230 HB3 -0.02 -0.06 -0.04 -0.04 1.79 1.63 3gk7B1 LYS 230 HG2 -0.01 0.05 -0.11 -0.04 1.46 1.34 3gk7B1 LYS 230 HG3 -0.01 -0.07 -0.09 -0.04 1.46 1.26 3gk7B1 LYS 230 HD2 -0.02 -0.03 -0.18 -0.04 1.69 1.42 3gk7B1 LYS 230 HD3 -0.02 -0.14 -0.07 -0.04 1.68 1.41 3gk7B1 LYS 230 HE2 -0.02 -0.06 0.01 -0.04 2.99 2.89 3gk7B1 LYS 230 HE3 -0.01 -0.02 0.07 -0.04 2.99 2.99 3gk7B1 LYS 231 H -0.03 0.13 0.21 -0.55 8.42 8.17 3gk7B1 LYS 231 HA -0.19 0.27 1.00 -0.75 4.32 4.64 3gk7B1 LYS 231 HB2 -0.07 -0.06 0.09 -0.04 1.87 1.78 3gk7B1 LYS 231 HB3 -0.53 -0.00 0.01 -0.04 1.79 1.23 3gk7B1 LYS 231 HG2 -0.18 0.12 -0.07 -0.04 1.46 1.28 3gk7B1 LYS 231 HG3 -0.09 0.07 -0.32 -0.04 1.46 1.08 3gk7B1 LYS 231 HD2 -0.03 -0.03 -0.03 -0.04 1.69 1.56 3gk7B1 LYS 231 HD3 -0.13 -0.03 -0.02 -0.04 1.68 1.46 3gk7B1 LYS 231 HE2 -0.09 0.04 -0.02 -0.04 2.99 2.88 3gk7B1 LYS 231 HE3 -0.05 0.03 -0.04 -0.04 2.99 2.89 3gk7B1 HIS 232 H -0.28 0.34 0.24 -0.55 8.41 8.16 3gk7B1 HIS 232 HA 0.02 0.01 0.38 -0.75 4.63 4.28 3gk7B1 HIS 232 HB2 0.01 0.09 -0.05 -0.04 3.26 3.28 3gk7B1 HIS 232 HB3 0.02 -0.09 0.13 -0.04 3.20 3.22 3gk7B1 HIS 232 HD2 0.01 0.02 -0.15 -0.04 6.97 6.81 3gk7B1 HIS 232 HE1 0.00 0.02 0.00 -0.04 7.75 7.74 3gk7B1 LEU 233 H 0.03 0.43 -0.08 -0.55 8.37 8.21 3gk7B1 LEU 233 HA 0.06 0.26 0.54 -0.75 4.35 4.46 3gk7B1 LEU 233 HB2 0.03 0.02 -0.11 -0.04 1.64 1.53 3gk7B1 LEU 233 HB3 0.04 0.01 -0.05 -0.04 1.64 1.59 3gk7B1 LEU 233 HG 0.02 0.06 -0.03 -0.04 1.64 1.65 3gk7B1 LEU 233 HD13 0.02 0.01 -0.08 -0.04 0.93 0.83 3gk7B1 LEU 233 HD23 -0.00 -0.00 -0.14 -0.04 0.89 0.70 3gk7B1 GLY 234 H 0.06 0.80 0.38 -0.55 8.43 9.13 3gk7B1 GLY 234 HA2 0.09 0.02 0.88 -0.51 4.01 4.48 3gk7B1 GLY 234 HA3 0.08 0.06 0.33 -0.51 4.01 3.97 3gk7B1 ILE 235 H 0.09 0.32 0.20 -0.55 8.25 8.30 3gk7B1 ILE 235 HA 0.07 0.22 1.09 -0.75 4.18 4.80 3gk7B1 ILE 235 HB 0.05 -0.02 0.15 -0.04 1.89 2.04 3gk7B1 ILE 235 HG12 0.06 -0.05 -0.46 -0.04 1.49 0.99 3gk7B1 ILE 235 HG13 0.03 -0.02 -0.11 -0.04 1.21 1.07 3gk7B1 ILE 235 HG23 0.01 0.00 -0.18 -0.04 0.93 0.72 3gk7B1 ILE 235 HD13 0.01 0.01 -0.04 -0.04 0.88 0.82 3gk7B1 HIS 236 H 0.14 0.58 0.09 -0.55 8.41 8.69 3gk7B1 HIS 236 HA 0.10 0.22 0.60 -0.75 4.63 4.80 3gk7B1 HIS 236 HB2 0.09 0.04 0.04 -0.04 3.26 3.39 3gk7B1 HIS 236 HB3 0.12 -0.03 0.08 -0.04 3.20 3.34 3gk7B1 HIS 236 HD2 0.38 -0.09 -0.21 -0.04 6.97 7.01 3gk7B1 HIS 236 HE1 -0.14 -0.06 -0.17 -0.04 7.75 7.34 3gk7B1 SER 237 H -0.09 0.75 0.27 -0.55 8.46 8.84 3gk7B1 SER 237 HA -0.19 0.08 1.02 -0.75 4.49 4.65 3gk7B1 SER 237 HB2 -0.05 0.18 -0.07 -0.04 3.95 3.96 3gk7B1 SER 237 HB3 -0.06 0.02 -0.07 -0.04 3.93 3.78 3gk7B1 GLU 238 H -0.18 0.13 0.20 -0.55 8.60 8.21 3gk7B1 GLU 238 HA 0.21 0.01 0.53 -0.75 4.29 4.29 3gk7B1 GLU 238 HB2 0.34 0.04 0.17 -0.04 2.09 2.59 3gk7B1 GLU 238 HB3 0.15 0.01 0.18 -0.04 1.99 2.29 3gk7B1 GLU 238 HG2 0.81 0.01 -0.07 -0.04 2.34 3.06 3gk7B1 GLU 238 HG3 0.48 -0.02 0.07 -0.04 2.34 2.83 3gk7B1 MET 239 H -0.11 0.20 0.06 -0.55 8.47 8.08 3gk7B1 MET 239 HA -0.29 0.31 0.85 -0.75 4.52 4.63 3gk7B1 MET 239 HB2 -0.68 0.10 0.09 -0.04 2.15 1.62 3gk7B1 MET 239 HB3 -1.41 -0.12 -0.17 -0.04 2.03 0.30 3gk7B1 MET 239 HG2 -0.16 -0.11 0.01 -0.04 2.63 2.33 3gk7B1 MET 239 HG3 -0.18 0.10 -0.30 -0.04 2.56 2.13 3gk7B1 MET 239 HE3 0.17 -0.05 0.00 -0.04 2.10 2.18 3gk7B1 ILE 240 H -0.15 0.27 0.23 -0.55 8.25 8.05 3gk7B1 ILE 240 HA -0.08 0.22 0.61 -0.75 4.18 4.18 3gk7B1 ILE 240 HB -0.05 -0.05 0.07 -0.04 1.89 1.82 3gk7B1 ILE 240 HG12 -0.03 0.03 -0.05 -0.04 1.49 1.40 3gk7B1 ILE 240 HG13 -0.03 -0.07 -0.09 -0.04 1.21 0.97 3gk7B1 ILE 240 HG23 -0.03 0.03 -0.09 -0.04 0.93 0.80 3gk7B1 ILE 240 HD13 0.05 0.03 -0.12 -0.04 0.88 0.79 3gk7B1 SER 241 H -0.07 0.12 0.14 -0.55 8.46 8.10 3gk7B1 SER 241 HA -0.07 0.32 0.83 -0.75 4.49 4.81 3gk7B1 SER 241 HB2 -0.05 -0.08 0.18 -0.04 3.95 3.96 3gk7B1 SER 241 HB3 -0.05 0.18 -0.05 -0.04 3.93 3.97 3gk7B1 ASP 242 H -0.08 0.18 0.22 -0.55 8.40 8.17 3gk7B1 ASP 242 HA -0.12 0.11 0.51 -0.75 4.63 4.38 3gk7B1 ASP 242 HB2 -0.07 0.01 0.15 -0.04 2.71 2.76 3gk7B1 ASP 242 HB3 -0.08 0.11 0.02 -0.04 2.70 2.71 3gk7B1 GLY 243 H -0.06 0.06 -0.19 -0.55 8.43 7.69 3gk7B1 GLY 243 HA2 -0.06 0.12 0.36 -0.51 4.01 3.92 3gk7B1 GLY 243 HA3 -0.05 0.08 0.23 -0.51 4.01 3.76 3gk7B1 VAL 244 H -0.07 0.09 -0.27 -0.55 8.24 7.44 3gk7B1 VAL 244 HA -0.04 0.11 0.42 -0.75 4.13 3.86 3gk7B1 VAL 244 HB -0.08 0.04 0.12 -0.04 2.12 2.17 3gk7B1 VAL 244 HG13 -0.03 0.03 -0.14 -0.04 0.97 0.79 3gk7B1 VAL 244 HG23 -0.04 0.01 0.02 -0.04 0.95 0.89 3gk7B1 VAL 245 H -0.18 0.23 -0.20 -0.55 8.24 7.54 3gk7B1 VAL 245 HA -0.52 0.09 0.34 -0.75 4.13 3.29 3gk7B1 VAL 245 HB -0.26 0.09 0.14 -0.04 2.12 2.05 3gk7B1 VAL 245 HG13 -0.59 0.02 -0.10 -0.04 0.97 0.26 3gk7B1 VAL 245 HG23 -0.55 0.02 -0.01 -0.04 0.95 0.37 3gk7B1 ASP 246 H -0.11 0.37 -0.17 -0.55 8.40 7.94 3gk7B1 ASP 246 HA -0.07 0.03 0.37 -0.75 4.63 4.21 3gk7B1 ASP 246 HB2 -0.06 0.18 0.14 -0.04 2.71 2.92 3gk7B1 ASP 246 HB3 -0.05 0.02 -0.03 -0.04 2.70 2.60 3gk7B1 LEU 247 H -0.04 0.37 -0.20 -0.55 8.37 7.95 3gk7B1 LEU 247 HA -0.03 0.08 0.40 -0.75 4.35 4.04 3gk7B1 LEU 247 HB2 -0.03 0.04 0.08 -0.04 1.64 1.69 3gk7B1 LEU 247 HB3 -0.00 0.03 0.03 -0.04 1.64 1.66 3gk7B1 LEU 247 HG -0.01 -0.10 -0.07 -0.04 1.64 1.41 3gk7B1 LEU 247 HD13 -0.03 0.03 -0.11 -0.04 0.93 0.78 3gk7B1 LEU 247 HD23 -0.01 -0.00 -0.07 -0.04 0.89 0.76 3gk7B1 TYR 248 H 0.05 0.60 -0.11 -0.55 8.29 8.28 3gk7B1 TYR 248 HA -0.01 0.07 0.60 -0.75 4.56 4.46 3gk7B1 TYR 248 HB2 -0.03 -0.06 0.06 -0.04 3.06 2.98 3gk7B1 TYR 248 HB3 -0.18 0.08 0.19 -0.04 2.98 3.02 3gk7B1 TYR 248 HD2 0.05 0.05 -0.06 -0.04 7.15 7.15 3gk7B1 TYR 248 HE2 0.18 0.00 -0.03 -0.04 6.85 6.96 3gk7B1 GLU 249 H 0.00 0.58 -0.02 -0.55 8.60 8.61 3gk7B1 GLU 249 HA -0.23 0.13 0.60 -0.75 4.29 4.03 3gk7B1 GLU 249 HB2 -0.02 -0.03 0.12 -0.04 2.09 2.12 3gk7B1 GLU 249 HB3 0.07 -0.03 0.07 -0.04 1.99 2.06 3gk7B1 GLU 249 HG2 -0.04 0.25 0.11 -0.04 2.34 2.62 3gk7B1 GLU 249 HG3 -0.03 0.01 -0.03 -0.04 2.34 2.25 3gk7B1 ALA 250 H -0.07 0.32 -0.31 -0.55 8.40 7.79 3gk7B1 ALA 250 HA -0.06 0.07 0.74 -0.75 4.34 4.33 3gk7B1 ALA 250 HB3 -0.05 -0.01 0.13 -0.04 1.41 1.44 3gk7B1 GLY 251 H -0.17 0.40 -0.46 -0.55 8.43 7.65 3gk7B1 GLY 251 HA2 -0.18 0.07 0.27 -0.51 4.01 3.66 3gk7B1 GLY 251 HA3 -0.10 0.07 0.49 -0.51 4.01 3.96 3gk7B1 VAL 252 H -0.07 0.30 -0.13 -0.55 8.24 7.78 3gk7B1 VAL 252 HA -0.08 0.14 0.50 -0.75 4.13 3.94 3gk7B1 VAL 252 HB -0.03 -0.04 0.05 -0.04 2.12 2.05 3gk7B1 VAL 252 HG13 -0.03 0.01 -0.25 -0.04 0.97 0.66 3gk7B1 VAL 252 HG23 -0.05 0.05 -0.05 -0.04 0.95 0.85 3gk7B1 ILE 253 H 0.01 0.25 -0.13 -0.55 8.25 7.82 3gk7B1 ILE 253 HA 0.06 0.12 0.69 -0.75 4.18 4.30 3gk7B1 ILE 253 HB 0.16 -0.03 -0.03 -0.04 1.89 1.96 3gk7B1 ILE 253 HG12 0.04 0.04 -0.22 -0.04 1.49 1.32 3gk7B1 ILE 253 HG13 0.03 -0.03 -0.23 -0.04 1.21 0.94 3gk7B1 ILE 253 HG23 0.13 -0.00 -0.30 -0.04 0.93 0.72 3gk7B1 ILE 253 HD13 0.03 0.00 -0.10 -0.04 0.88 0.78 3gk7B1 ASP 254 H 0.10 0.27 0.18 -0.55 8.40 8.41 3gk7B1 ASP 254 HA 0.20 0.22 0.68 -0.75 4.63 4.98 3gk7B1 ASP 254 HB2 0.11 0.01 0.12 -0.04 2.71 2.90 3gk7B1 ASP 254 HB3 0.05 0.14 -0.17 -0.04 2.70 2.68 3gk7B1 CYS 255 H 0.11 0.51 0.20 -0.55 8.50 8.78 3gk7B1 CYS 255 HA 0.09 -0.01 0.31 -0.75 4.58 4.22 3gk7B1 CYS 255 HB2 0.10 0.23 -0.34 -0.04 2.97 2.92 3gk7B1 CYS 255 HB3 0.08 -0.02 0.15 -0.04 2.97 3.14 3gk7B1 SER 256 H 0.10 0.08 -0.33 -0.55 8.46 7.76 3gk7B1 SER 256 HA 0.04 0.14 0.50 -0.75 4.49 4.42 3gk7B1 SER 256 HB2 -0.01 0.01 0.09 -0.04 3.95 4.00 3gk7B1 SER 256 HB3 0.07 0.07 -0.02 -0.04 3.93 4.01 3gk7B1 GLN 257 H 0.05 0.05 -0.23 -0.55 8.47 7.80 3gk7B1 GLN 257 HA -0.00 0.24 0.84 -0.75 4.36 4.69 3gk7B1 GLN 257 HB2 0.05 0.13 0.11 -0.04 2.15 2.40 3gk7B1 GLN 257 HB3 0.01 0.02 0.16 -0.04 2.02 2.17 3gk7B1 GLN 257 HG2 -0.08 0.07 -0.15 -0.04 2.40 2.21 3gk7B1 GLN 257 HG3 -0.06 -0.13 -0.19 -0.04 2.39 1.97 3gk7B1 GLN 257 HE21 -0.05 -0.01 -0.08 -0.04 6.97 6.79 3gk7B1 GLN 257 HE22 -0.51 -0.03 -0.07 -0.04 7.69 7.04 3gk7B1 LYS 258 H 0.04 0.10 -0.31 -0.55 8.42 7.71 3gk7B1 LYS 258 HA 0.04 0.07 0.53 -0.75 4.32 4.20 3gk7B1 LYS 258 HB2 0.06 -0.01 -0.02 -0.04 1.87 1.85 3gk7B1 LYS 258 HB3 0.06 0.09 0.03 -0.04 1.79 1.93 3gk7B1 LYS 258 HG2 0.07 -0.02 -0.01 -0.04 1.46 1.46 3gk7B1 LYS 258 HG3 0.07 -0.16 -0.02 -0.04 1.46 1.30 3gk7B1 LYS 258 HD2 0.09 -0.30 0.15 -0.04 1.69 1.60 3gk7B1 LYS 258 HD3 0.08 0.09 0.17 -0.04 1.68 1.98 3gk7B1 LYS 258 HE2 0.11 0.22 0.06 -0.04 2.99 3.34 3gk7B1 LYS 258 HE3 0.14 -0.17 -0.02 -0.04 2.99 2.89 3gk7B1 SER 259 H 0.02 -0.01 0.23 -0.55 8.46 8.16 3gk7B1 SER 259 HA 0.01 0.17 0.72 -0.75 4.49 4.64 3gk7B1 SER 259 HB2 0.00 0.02 0.06 -0.04 3.95 4.00 3gk7B1 SER 259 HB3 0.00 0.00 0.12 -0.04 3.93 4.01 3gk7B1 ILE 260 H 0.04 0.09 0.06 -0.55 8.25 7.88 3gk7B1 ILE 260 HA 0.05 0.19 0.77 -0.75 4.18 4.43 3gk7B1 ILE 260 HB 0.11 -0.05 0.03 -0.04 1.89 1.93 3gk7B1 ILE 260 HG12 -0.02 -0.01 -0.14 -0.04 1.49 1.28 3gk7B1 ILE 260 HG13 0.08 0.01 -0.15 -0.04 1.21 1.11 3gk7B1 ILE 260 HG23 0.02 0.02 -0.16 -0.04 0.93 0.77 3gk7B1 ILE 260 HD13 -0.04 0.01 -0.12 -0.04 0.88 0.69 3gk7B1 ASP 261 H 0.08 0.12 0.07 -0.55 8.40 8.13 3gk7B1 ASP 261 HA 0.07 0.02 0.28 -0.75 4.63 4.24 3gk7B1 ASP 261 HB2 0.16 0.15 0.04 -0.04 2.71 3.02 3gk7B1 ASP 261 HB3 0.11 0.02 0.07 -0.04 2.70 2.85 3gk7B1 LYS 262 H 0.05 0.00 -0.22 -0.55 8.42 7.69 3gk7B1 LYS 262 HA 0.06 0.06 0.22 -0.75 4.32 3.91 3gk7B1 LYS 262 HB2 0.03 -0.06 -0.01 -0.04 1.87 1.78 3gk7B1 LYS 262 HB3 0.03 0.08 -0.03 -0.04 1.79 1.83 3gk7B1 LYS 262 HG2 0.03 0.29 -0.26 -0.04 1.46 1.48 3gk7B1 LYS 262 HG3 0.03 -0.17 -0.32 -0.04 1.46 0.96 3gk7B1 LYS 262 HD2 0.02 -0.08 -0.05 -0.04 1.69 1.53 3gk7B1 LYS 262 HD3 0.02 0.05 -0.04 -0.04 1.68 1.66 3gk7B1 LYS 262 HE2 0.02 0.07 -0.09 -0.04 2.99 2.94 3gk7B1 LYS 262 HE3 0.01 -0.09 -0.02 -0.04 2.99 2.86 3gk7B1 GLY 263 H 0.06 0.54 0.32 -0.55 8.43 8.80 3gk7B1 GLY 263 HA2 0.07 0.08 0.31 -0.51 4.01 3.96 3gk7B1 GLY 263 HA3 0.05 0.01 0.42 -0.51 4.01 3.98 3gk7B1 LYS 264 H 0.07 0.35 -0.27 -0.55 8.42 8.01 3gk7B1 LYS 264 HA 0.05 0.19 0.85 -0.75 4.32 4.66 3gk7B1 LYS 264 HB2 0.06 0.04 -0.16 -0.04 1.87 1.78 3gk7B1 LYS 264 HB3 0.05 -0.05 -0.33 -0.04 1.79 1.42 3gk7B1 LYS 264 HG2 0.05 0.29 -0.15 -0.04 1.46 1.61 3gk7B1 LYS 264 HG3 0.05 0.07 -0.38 -0.04 1.46 1.16 3gk7B1 LYS 264 HD2 0.05 -0.08 -0.21 -0.04 1.69 1.41 3gk7B1 LYS 264 HD3 0.04 -0.02 -0.13 -0.04 1.68 1.54 3gk7B1 LYS 264 HE2 0.03 0.08 -0.15 -0.04 2.99 2.92 3gk7B1 LYS 264 HE3 0.05 -0.03 -0.17 -0.04 2.99 2.79 3gk7B1 MET 265 H 0.03 0.93 0.27 -0.55 8.47 9.15 3gk7B1 MET 265 HA 0.06 0.10 0.85 -0.75 4.52 4.77 3gk7B1 MET 265 HB2 0.02 -0.00 0.24 -0.04 2.15 2.36 3gk7B1 MET 265 HB3 0.03 -0.10 -0.03 -0.04 2.03 1.89 3gk7B1 MET 265 HG2 0.05 -0.08 -0.03 -0.04 2.63 2.53 3gk7B1 MET 265 HG3 0.03 0.16 0.01 -0.04 2.56 2.72 3gk7B1 MET 265 HE3 -0.06 0.01 -0.12 -0.04 2.10 1.90 3gk7B1 ALA 266 H 0.06 0.55 0.22 -0.55 8.40 8.67 3gk7B1 ALA 266 HA 0.03 0.26 0.85 -0.75 4.34 4.73 3gk7B1 ALA 266 HB3 0.08 -0.01 0.08 -0.04 1.41 1.52 3gk7B1 ILE 267 H 0.01 0.63 0.37 -0.55 8.25 8.70 3gk7B1 ILE 267 HA -0.03 0.52 0.95 -0.75 4.18 4.86 3gk7B1 ILE 267 HB -0.04 -0.05 0.04 -0.04 1.89 1.80 3gk7B1 ILE 267 HG12 -0.00 0.14 -0.20 -0.04 1.49 1.40 3gk7B1 ILE 267 HG13 0.01 -0.08 -0.27 -0.04 1.21 0.83 3gk7B1 ILE 267 HG23 -0.03 -0.02 -0.46 -0.04 0.93 0.38 3gk7B1 ILE 267 HD13 -0.01 0.00 -0.22 -0.04 0.88 0.61 3gk7B1 THR 268 H 0.06 0.67 0.44 -0.55 8.28 8.90 3gk7B1 THR 268 HA 0.08 0.32 1.31 -0.75 4.39 5.35 3gk7B1 THR 268 HB 0.06 0.03 0.02 -0.04 4.32 4.39 3gk7B1 THR 268 HG23 0.20 0.00 0.07 -0.04 1.22 1.45 3gk7B1 PHE 269 H 0.08 0.52 0.45 -0.55 8.34 8.84 3gk7B1 PHE 269 HA 0.07 0.12 0.32 -0.75 4.62 4.37 3gk7B1 PHE 269 HB2 0.14 0.17 0.36 -0.04 3.15 3.77 3gk7B1 PHE 269 HB3 0.27 -0.11 0.05 -0.04 3.06 3.23 3gk7B1 PHE 269 HD2 0.17 0.07 -0.12 -0.04 7.28 7.36 3gk7B1 PHE 269 HE2 0.18 -0.04 -0.12 -0.04 7.38 7.36 3gk7B1 PHE 269 HZ 0.10 -0.03 -0.07 -0.04 7.32 7.28 3gk7B1 LEU 270 H 0.23 0.73 0.36 -0.55 8.37 9.14 3gk7B1 LEU 270 HA -0.10 0.14 0.96 -0.75 4.35 4.60 3gk7B1 LEU 270 HB2 0.11 0.03 0.12 -0.04 1.64 1.86 3gk7B1 LEU 270 HB3 0.23 -0.05 -0.08 -0.04 1.64 1.69 3gk7B1 LEU 270 HG 0.03 -0.06 -0.37 -0.04 1.64 1.20 3gk7B1 LEU 270 HD13 0.07 0.04 -0.08 -0.04 0.93 0.91 3gk7B1 LEU 270 HD23 0.04 -0.00 -0.07 -0.04 0.89 0.81 3gk7B1 MET 271 H -0.00 0.40 0.15 -0.55 8.47 8.47 3gk7B1 MET 271 HA 0.28 0.13 0.60 -0.75 4.52 4.77 3gk7B1 MET 271 HB2 0.30 0.06 -0.10 -0.04 2.15 2.36 3gk7B1 MET 271 HB3 0.10 -0.05 0.01 -0.04 2.03 2.06 3gk7B1 MET 271 HG2 0.09 -0.03 -0.19 -0.04 2.63 2.46 3gk7B1 MET 271 HG3 0.14 0.06 -0.01 -0.04 2.56 2.71 3gk7B1 MET 271 HE3 0.09 0.00 -0.07 -0.04 2.10 2.08 3gk7B1 GLY 272 H 0.11 0.35 0.14 -0.55 8.43 8.48 3gk7B1 GLY 272 HA2 -0.06 0.08 0.47 -0.51 4.01 3.99 3gk7B1 GLY 272 HA3 -0.15 -0.05 0.52 -0.51 4.01 3.81 3gk7B1 THR 273 H -0.22 0.02 0.23 -0.55 8.28 7.76 3gk7B1 THR 273 HA -0.15 0.26 0.96 -0.75 4.39 4.70 3gk7B1 THR 273 HB -0.09 0.04 0.21 -0.04 4.32 4.45 3gk7B1 THR 273 HG23 -0.07 0.05 0.06 -0.04 1.22 1.21 3gk7B1 LYS 274 H -0.09 0.23 0.16 -0.55 8.42 8.17 3gk7B1 LYS 274 HA -0.07 0.12 0.48 -0.75 4.32 4.09 3gk7B1 LYS 274 HB2 0.06 0.08 0.13 -0.04 1.87 2.10 3gk7B1 LYS 274 HB3 0.00 0.00 0.07 -0.04 1.79 1.83 3gk7B1 LYS 274 HG2 0.05 -0.00 -0.08 -0.04 1.46 1.38 3gk7B1 LYS 274 HG3 0.14 0.03 0.09 -0.04 1.46 1.68 3gk7B1 LYS 274 HD2 0.07 0.00 0.03 -0.04 1.69 1.75 3gk7B1 LYS 274 HD3 0.04 -0.00 -0.01 -0.04 1.68 1.67 3gk7B1 LYS 274 HE2 0.06 0.05 0.00 -0.04 2.99 3.06 3gk7B1 LYS 274 HE3 0.04 0.03 -0.00 -0.04 2.99 3.01 3gk7B1 ARG 275 H -0.10 0.04 -0.24 -0.55 8.46 7.61 3gk7B1 ARG 275 HA -0.01 0.16 0.46 -0.75 4.34 4.19 3gk7B1 ARG 275 HB2 -0.04 0.04 0.08 -0.04 1.90 1.94 3gk7B1 ARG 275 HB3 -0.08 -0.12 0.04 -0.04 1.80 1.60 3gk7B1 ARG 275 HG2 -0.03 0.02 -0.17 -0.04 1.67 1.45 3gk7B1 ARG 275 HG3 -0.01 0.08 0.02 -0.04 1.67 1.72 3gk7B1 ARG 275 HD2 -0.04 0.04 -0.01 -0.04 3.22 3.17 3gk7B1 ARG 275 HD3 -0.07 -0.10 -0.03 -0.04 3.22 2.99 3gk7B1 LEU 276 H -0.22 0.13 -0.23 -0.55 8.37 7.50 3gk7B1 LEU 276 HA -0.01 0.11 0.44 -0.75 4.35 4.13 3gk7B1 LEU 276 HB2 -0.16 -0.17 -0.00 -0.04 1.64 1.27 3gk7B1 LEU 276 HB3 -0.40 0.14 0.03 -0.04 1.64 1.37 3gk7B1 LEU 276 HG 0.06 0.08 -0.41 -0.04 1.64 1.33 3gk7B1 LEU 276 HD13 -0.00 0.01 -0.24 -0.04 0.93 0.65 3gk7B1 LEU 276 HD23 -0.05 -0.04 -0.21 -0.04 0.89 0.56 3gk7B1 TYR 277 H -0.35 0.23 -0.16 -0.55 8.29 7.46 3gk7B1 TYR 277 HA 0.01 0.06 0.34 -0.75 4.56 4.21 3gk7B1 TYR 277 HB2 0.01 0.06 0.10 -0.04 3.06 3.19 3gk7B1 TYR 277 HB3 -0.01 0.07 0.02 -0.04 2.98 3.02 3gk7B1 TYR 277 HD2 0.00 -0.01 -0.13 -0.04 7.15 6.98 3gk7B1 TYR 277 HE2 0.01 0.03 -0.29 -0.04 6.85 6.56 3gk7B1 ASP 278 H 0.08 0.52 -0.16 -0.55 8.40 8.29 3gk7B1 ASP 278 HA 0.05 0.06 0.40 -0.75 4.63 4.38 3gk7B1 ASP 278 HB2 0.06 0.01 0.11 -0.04 2.71 2.84 3gk7B1 ASP 278 HB3 0.04 0.02 -0.04 -0.04 2.70 2.69 3gk7B1 PHE 279 H 0.17 0.38 -0.18 -0.55 8.34 8.16 3gk7B1 PHE 279 HA -0.03 0.05 0.45 -0.75 4.62 4.34 3gk7B1 PHE 279 HB2 -0.03 -0.03 0.11 -0.04 3.15 3.16 3gk7B1 PHE 279 HB3 -0.05 0.01 0.16 -0.04 3.06 3.13 3gk7B1 PHE 279 HD2 -0.05 -0.01 -0.09 -0.04 7.28 7.09 3gk7B1 PHE 279 HE2 -0.13 0.00 -0.10 -0.04 7.38 7.11 3gk7B1 PHE 279 HZ -0.97 0.04 -0.10 -0.04 7.32 6.25 3gk7B1 ALA 280 H 0.10 0.45 -0.23 -0.55 8.40 8.17 3gk7B1 ALA 280 HA -0.28 -0.02 0.22 -0.75 4.34 3.51 3gk7B1 ALA 280 HB3 0.03 -0.02 -0.01 -0.04 1.41 1.36 3gk7B1 ALA 281 H -0.08 0.23 -0.48 -0.55 8.40 7.53 3gk7B1 ALA 281 HA -0.14 0.03 0.32 -0.75 4.34 3.80 3gk7B1 ALA 281 HB3 -0.05 0.02 0.08 -0.04 1.41 1.42 3gk7B1 ASN 282 H -0.28 0.50 0.41 -0.55 8.53 8.62 3gk7B1 ASN 282 HA -0.54 -0.09 0.35 -0.75 4.76 3.72 3gk7B1 ASN 282 HB2 -0.06 0.11 -0.02 -0.04 2.88 2.86 3gk7B1 ASN 282 HB3 0.04 -0.05 0.17 -0.04 2.79 2.91 3gk7B1 ASN 282 HD21 0.01 -0.08 0.03 -0.04 7.03 6.95 3gk7B1 ASN 282 HD22 -0.04 0.06 -0.20 -0.04 7.74 7.52 3gk7B1 ASN 283 H -0.81 0.14 -0.07 -0.55 8.53 7.25 3gk7B1 ASN 283 HA -0.20 0.19 0.90 -0.75 4.76 4.90 3gk7B1 ASN 283 HB2 -0.44 0.40 -0.24 -0.04 2.88 2.56 3gk7B1 ASN 283 HB3 -0.44 -0.04 0.11 -0.04 2.79 2.38 3gk7B1 ASN 283 HD21 -1.30 -0.12 -0.06 -0.04 7.03 5.52 3gk7B1 ASN 283 HD22 -1.47 0.54 -0.03 -0.04 7.74 6.75 3gk7B1 PRO 284 HA 0.33 0.06 0.45 -0.51 4.44 4.77 3gk7B1 PRO 284 HB2 0.06 0.07 -0.02 -0.04 2.28 2.35 3gk7B1 PRO 284 HB3 0.09 0.01 0.10 -0.04 2.02 2.17 3gk7B1 PRO 284 HG2 0.07 0.04 0.08 -0.04 2.03 2.17 3gk7B1 PRO 284 HG3 0.18 0.00 0.05 -0.04 2.03 2.22 3gk7B1 PRO 284 HD2 -0.00 0.10 0.23 -0.04 3.68 3.97 3gk7B1 PRO 284 HD3 0.07 0.31 0.18 -0.04 3.65 4.16 3gk7B1 LYS 285 H -0.10 0.05 -0.44 -0.55 8.42 7.38 3gk7B1 LYS 285 HA 0.01 0.33 0.68 -0.75 4.32 4.58 3gk7B1 LYS 285 HB2 -0.17 -0.03 0.03 -0.04 1.87 1.65 3gk7B1 LYS 285 HB3 -0.19 -0.07 -0.04 -0.04 1.79 1.45 3gk7B1 LYS 285 HG2 0.10 -0.03 -0.01 -0.04 1.46 1.48 3gk7B1 LYS 285 HG3 0.08 0.12 0.05 -0.04 1.46 1.66 3gk7B1 LYS 285 HD2 0.06 0.05 -0.13 -0.04 1.69 1.62 3gk7B1 LYS 285 HD3 0.09 -0.07 -0.03 -0.04 1.68 1.63 3gk7B1 LYS 285 HE2 0.12 -0.07 -0.00 -0.04 2.99 3.00 3gk7B1 LYS 285 HE3 0.24 -0.03 0.01 -0.04 2.99 3.17 3gk7B1 VAL 286 H -0.09 0.55 -0.24 -0.55 8.24 7.91 3gk7B1 VAL 286 HA -0.02 0.16 0.94 -0.75 4.13 4.46 3gk7B1 VAL 286 HB -0.20 0.15 0.12 -0.04 2.12 2.15 3gk7B1 VAL 286 HG13 -0.04 -0.04 -0.17 -0.04 0.97 0.68 3gk7B1 VAL 286 HG23 -0.15 -0.04 -0.21 -0.04 0.95 0.51 3gk7B1 GLU 287 H 0.01 0.67 0.20 -0.55 8.60 8.94 3gk7B1 GLU 287 HA 0.06 0.18 0.58 -0.75 4.29 4.35 3gk7B1 GLU 287 HB2 0.07 0.09 -0.29 -0.04 2.09 1.91 3gk7B1 GLU 287 HB3 0.04 -0.03 -0.06 -0.04 1.99 1.90 3gk7B1 GLU 287 HG2 0.02 0.01 -0.30 -0.04 2.34 2.04 3gk7B1 GLU 287 HG3 0.08 -0.05 -0.23 -0.04 2.34 2.10 3gk7B1 LEU 288 H 0.02 0.73 0.18 -0.55 8.37 8.76 3gk7B1 LEU 288 HA 0.02 0.21 0.75 -0.75 4.35 4.58 3gk7B1 LEU 288 HB2 -0.02 0.13 -0.11 -0.04 1.64 1.60 3gk7B1 LEU 288 HB3 0.01 -0.07 -0.27 -0.04 1.64 1.27 3gk7B1 LEU 288 HG -0.00 0.01 -0.33 -0.04 1.64 1.28 3gk7B1 LEU 288 HD13 -0.02 -0.01 -0.40 -0.04 0.93 0.45 3gk7B1 LEU 288 HD23 0.06 -0.02 -0.60 -0.04 0.89 0.28 3gk7B1 LYS 289 H 0.04 0.72 0.45 -0.55 8.42 9.09 3gk7B1 LYS 289 HA -0.00 0.07 0.83 -0.75 4.32 4.46 3gk7B1 LYS 289 HB2 0.12 0.03 0.01 -0.04 1.87 1.99 3gk7B1 LYS 289 HB3 0.00 -0.01 0.07 -0.04 1.79 1.81 3gk7B1 LYS 289 HG2 -0.06 0.06 -0.12 -0.04 1.46 1.29 3gk7B1 LYS 289 HG3 -0.02 0.06 -0.29 -0.04 1.46 1.17 3gk7B1 LYS 289 HD2 -0.58 0.01 -0.08 -0.04 1.69 1.00 3gk7B1 LYS 289 HD3 -0.52 -0.03 -0.00 -0.04 1.68 1.09 3gk7B1 LYS 289 HE2 -0.33 -0.00 -0.03 -0.04 2.99 2.59 3gk7B1 LYS 289 HE3 -0.14 -0.02 -0.04 -0.04 2.99 2.75 3gk7B1 PRO 290 HA 0.03 0.06 0.34 -0.51 4.44 4.36 3gk7B1 PRO 290 HB2 0.07 -0.11 0.01 -0.04 2.28 2.20 3gk7B1 PRO 290 HB3 0.04 0.11 0.13 -0.04 2.02 2.26 3gk7B1 PRO 290 HG2 0.03 0.10 0.06 -0.04 2.03 2.17 3gk7B1 PRO 290 HG3 0.02 0.11 0.08 -0.04 2.03 2.20 3gk7B1 PRO 290 HD2 0.01 0.10 0.19 -0.04 3.68 3.94 3gk7B1 PRO 290 HD3 -0.01 0.16 0.28 -0.04 3.65 4.04 3gk7B1 VAL 291 H -0.02 0.63 0.32 -0.55 8.24 8.62 3gk7B1 VAL 291 HA -0.09 0.06 0.41 -0.75 4.13 3.76 3gk7B1 VAL 291 HB -0.46 -0.13 0.13 -0.04 2.12 1.62 3gk7B1 VAL 291 HG13 -0.13 0.09 -0.16 -0.04 0.97 0.74 3gk7B1 VAL 291 HG23 -1.00 -0.01 -0.09 -0.04 0.95 -0.19 3gk7B1 ASP 292 H 0.05 0.13 -0.15 -0.55 8.40 7.89 3gk7B1 ASP 292 HA 0.14 0.13 0.60 -0.75 4.63 4.75 3gk7B1 ASP 292 HB2 0.17 0.04 0.15 -0.04 2.71 3.04 3gk7B1 ASP 292 HB3 0.08 0.13 0.14 -0.04 2.70 3.01 3gk7B1 TYR 293 H 0.17 0.24 -0.57 -0.55 8.29 7.57 3gk7B1 TYR 293 HA 0.04 0.20 0.75 -0.75 4.56 4.79 3gk7B1 TYR 293 HB2 0.02 -0.01 0.01 -0.04 3.06 3.04 3gk7B1 TYR 293 HB3 0.02 0.08 0.07 -0.04 2.98 3.11 3gk7B1 TYR 293 HD2 0.02 -0.01 -0.11 -0.04 7.15 7.01 3gk7B1 TYR 293 HE2 0.07 0.03 -0.10 -0.04 6.85 6.81 3gk7B1 ILE 294 H 0.17 0.49 0.05 -0.55 8.25 8.41 3gk7B1 ILE 294 HA -0.01 0.12 0.10 -0.75 4.18 3.64 3gk7B1 ILE 294 HB 0.04 -0.12 -0.02 -0.04 1.89 1.75 3gk7B1 ILE 294 HG12 0.20 -0.01 -0.16 -0.04 1.49 1.48 3gk7B1 ILE 294 HG13 0.05 0.06 -0.52 -0.04 1.21 0.76 3gk7B1 ILE 294 HG23 0.02 0.00 -0.39 -0.04 0.93 0.52 3gk7B1 ILE 294 HD13 -0.01 0.03 -0.27 -0.04 0.88 0.60 3gk7B1 ASN 295 H -0.02 0.44 -0.08 -0.55 8.53 8.32 3gk7B1 ASN 295 HA -0.44 0.18 0.55 -0.75 4.76 4.29 3gk7B1 ASN 295 HB2 -0.04 0.20 0.08 -0.04 2.88 3.08 3gk7B1 ASN 295 HB3 -0.02 -0.16 0.14 -0.04 2.79 2.71 3gk7B1 ASN 295 HD21 0.49 -0.06 0.06 -0.04 7.03 7.47 3gk7B1 ASN 295 HD22 0.30 -0.13 0.08 -0.04 7.74 7.95 3gk7B1 HIS 296 H -0.07 0.36 -0.71 -0.55 8.41 7.44 3gk7B1 HIS 296 HA -0.36 0.06 0.37 -0.75 4.63 3.95 3gk7B1 HIS 296 HB2 -0.09 0.16 -0.19 -0.04 3.26 3.10 3gk7B1 HIS 296 HB3 -0.20 -0.01 0.06 -0.04 3.20 3.01 3gk7B1 HIS 296 HD2 0.03 0.16 0.09 -0.04 6.97 7.21 3gk7B1 HIS 296 HE1 -0.07 0.04 -0.00 -0.04 7.75 7.68 3gk7B1 PRO 297 HA -0.26 0.09 0.38 -0.51 4.44 4.14 3gk7B1 PRO 297 HB2 -0.22 0.03 0.01 -0.04 2.28 2.06 3gk7B1 PRO 297 HB3 -0.22 0.05 -0.02 -0.04 2.02 1.79 3gk7B1 PRO 297 HG2 -0.51 0.01 0.09 -0.04 2.03 1.57 3gk7B1 PRO 297 HG3 -0.47 0.09 0.20 -0.04 2.03 1.81 3gk7B1 PRO 297 HD2 -1.00 0.07 0.20 -0.04 3.68 2.91 3gk7B1 PRO 297 HD3 -1.18 0.15 0.32 -0.04 3.65 2.90 3gk7B1 SER 298 H 0.34 0.08 -0.25 -0.55 8.46 8.09 3gk7B1 SER 298 HA -0.04 0.15 0.42 -0.75 4.49 4.27 3gk7B1 SER 298 HB2 -0.16 -0.02 -0.02 -0.04 3.95 3.71 3gk7B1 SER 298 HB3 -0.07 0.06 0.01 -0.04 3.93 3.89 3gk7B1 VAL 299 H -0.07 0.20 -0.33 -0.55 8.24 7.49 3gk7B1 VAL 299 HA -0.20 0.10 0.61 -0.75 4.13 3.89 3gk7B1 VAL 299 HB -0.29 0.16 0.10 -0.04 2.12 2.05 3gk7B1 VAL 299 HG13 -0.68 -0.02 -0.21 -0.04 0.97 0.02 3gk7B1 VAL 299 HG23 -0.37 -0.04 -0.00 -0.04 0.95 0.50 3gk7B1 VAL 300 H -0.23 0.56 -0.04 -0.55 8.24 7.98 3gk7B1 VAL 300 HA -0.35 0.03 0.40 -0.75 4.13 3.46 3gk7B1 VAL 300 HB -0.23 0.01 0.04 -0.04 2.12 1.90 3gk7B1 VAL 300 HG13 -0.03 0.00 -0.15 -0.04 0.97 0.76 3gk7B1 VAL 300 HG23 -0.52 0.02 -0.15 -0.04 0.95 0.26 3gk7B1 ALA 301 H -0.13 0.40 -0.42 -0.55 8.40 7.71 3gk7B1 ALA 301 HA -0.06 0.17 0.29 -0.75 4.34 3.99 3gk7B1 ALA 301 HB3 -0.06 0.06 -0.01 -0.04 1.41 1.35 3gk7B1 GLN 302 H -0.12 0.39 -0.56 -0.55 8.47 7.63 3gk7B1 GLN 302 HA -0.05 0.05 0.65 -0.75 4.36 4.26 3gk7B1 GLN 302 HB2 -0.10 0.12 0.07 -0.04 2.15 2.20 3gk7B1 GLN 302 HB3 -0.05 -0.08 0.09 -0.04 2.02 1.94 3gk7B1 GLN 302 HG2 -0.05 -0.04 0.00 -0.04 2.40 2.27 3gk7B1 GLN 302 HG3 -0.08 0.23 0.09 -0.04 2.39 2.58 3gk7B1 GLN 302 HE21 -0.05 -0.09 -0.04 -0.04 6.97 6.75 3gk7B1 GLN 302 HE22 -0.08 0.18 -0.03 -0.04 7.69 7.72 3gk7B1 CYS 303 H -0.12 0.48 -0.28 -0.55 8.50 8.03 3gk7B1 CYS 303 HA -0.06 -0.08 0.44 -0.75 4.58 4.12 3gk7B1 CYS 303 HB2 -0.07 0.13 0.08 -0.04 2.97 3.06 3gk7B1 CYS 303 HB3 -0.03 -0.02 -0.04 -0.04 2.97 2.84 3gk7B1 SER 304 H 0.00 -0.02 0.21 -0.55 8.46 8.11 3gk7B1 SER 304 HA 0.00 0.05 0.65 -0.75 4.49 4.44 3gk7B1 SER 304 HB2 0.01 -0.01 0.12 -0.04 3.95 4.03 3gk7B1 SER 304 HB3 0.02 0.00 0.21 -0.04 3.93 4.12 3gk7B1 LYS 305 H 0.01 0.09 0.14 -0.55 8.42 8.10 3gk7B1 LYS 305 HA 0.02 0.06 0.22 -0.75 4.32 3.86 3gk7B1 LYS 305 HB2 0.03 0.17 -0.20 -0.04 1.87 1.83 3gk7B1 LYS 305 HB3 0.02 0.02 0.09 -0.04 1.79 1.88 3gk7B1 LYS 305 HG2 0.02 0.02 0.00 -0.04 1.46 1.46 3gk7B1 LYS 305 HG3 0.02 -0.10 -0.09 -0.04 1.46 1.25 3gk7B1 LYS 305 HD2 0.03 0.10 -0.24 -0.04 1.69 1.54 3gk7B1 LYS 305 HD3 0.02 0.02 -0.11 -0.04 1.68 1.57 3gk7B1 LYS 305 HE2 0.02 -0.03 -0.03 -0.04 2.99 2.91 3gk7B1 LYS 305 HE3 0.02 -0.04 -0.04 -0.04 2.99 2.89 3gk7B1 MET 306 H 0.03 0.03 -0.22 -0.55 8.47 7.76 3gk7B1 MET 306 HA 0.05 0.23 0.45 -0.75 4.52 4.50 3gk7B1 MET 306 HB2 0.02 0.06 -0.07 -0.04 2.15 2.12 3gk7B1 MET 306 HB3 0.05 -0.10 0.08 -0.04 2.03 2.02 3gk7B1 MET 306 HG2 0.10 -0.05 -0.12 -0.04 2.63 2.53 3gk7B1 MET 306 HG3 0.12 -0.02 -0.19 -0.04 2.56 2.42 3gk7B1 MET 306 HE3 0.24 -0.00 -0.22 -0.04 2.10 2.08 3gk7B1 VAL 307 H 0.05 0.75 0.41 -0.55 8.24 8.91 3gk7B1 VAL 307 HA 0.05 0.25 0.92 -0.75 4.13 4.60 3gk7B1 VAL 307 HB 0.02 -0.08 0.10 -0.04 2.12 2.12 3gk7B1 VAL 307 HG13 -0.00 -0.03 -0.19 -0.04 0.97 0.72 3gk7B1 VAL 307 HG23 0.01 0.05 -0.12 -0.04 0.95 0.86 3gk7B1 CYS 308 H 0.07 0.60 0.33 -0.55 8.50 8.95 3gk7B1 CYS 308 HA -0.01 0.16 1.13 -0.75 4.58 5.10 3gk7B1 CYS 308 HB2 0.12 -0.06 0.11 -0.04 2.97 3.09 3gk7B1 CYS 308 HB3 0.06 -0.09 0.04 -0.04 2.97 2.94 3gk7B1 ILE 309 H -0.04 0.71 0.38 -0.55 8.25 8.76 3gk7B1 ILE 309 HA 0.03 0.28 1.10 -0.75 4.18 4.84 3gk7B1 ILE 309 HB -0.01 -0.12 0.24 -0.04 1.89 1.96 3gk7B1 ILE 309 HG12 -0.00 0.03 -0.27 -0.04 1.49 1.20 3gk7B1 ILE 309 HG13 -0.01 -0.03 -0.08 -0.04 1.21 1.04 3gk7B1 ILE 309 HG23 0.02 -0.03 -0.17 -0.04 0.93 0.71 3gk7B1 ILE 309 HD13 0.00 0.02 -0.16 -0.04 0.88 0.70 3gk7B1 ASN 310 H 0.05 0.79 0.40 -0.55 8.53 9.22 3gk7B1 ASN 310 HA 0.05 0.02 0.86 -0.75 4.76 4.94 3gk7B1 ASN 310 HB2 0.09 0.09 0.02 -0.04 2.88 3.03 3gk7B1 ASN 310 HB3 0.10 -0.01 0.11 -0.04 2.79 2.96 3gk7B1 ASN 310 HD21 0.04 -0.03 -0.19 -0.04 7.03 6.80 3gk7B1 ASN 310 HD22 0.09 0.11 -0.28 -0.04 7.74 7.61 3gk7B1 ALA 311 H 0.08 0.09 0.24 -0.55 8.40 8.27 3gk7B1 ALA 311 HA 0.05 0.33 1.12 -0.75 4.34 5.08 3gk7B1 ALA 311 HB3 0.05 -0.01 0.14 -0.04 1.41 1.55 3gk7B1 CYS 312 H 0.04 0.48 0.23 -0.55 8.50 8.71 3gk7B1 CYS 312 HA 0.05 0.11 0.78 -0.75 4.58 4.76 3gk7B1 CYS 312 HB2 0.04 0.03 0.04 -0.04 2.97 3.04 3gk7B1 CYS 312 HB3 0.06 -0.02 -0.17 -0.04 2.97 2.79 3gk7B1 LEU 313 H 0.01 0.62 0.50 -0.55 8.37 8.96 3gk7B1 LEU 313 HA -0.03 0.15 0.89 -0.75 4.35 4.61 3gk7B1 LEU 313 HB2 -0.02 0.02 0.01 -0.04 1.64 1.60 3gk7B1 LEU 313 HB3 -0.07 -0.02 -0.03 -0.04 1.64 1.49 3gk7B1 LEU 313 HG -0.02 -0.01 -0.22 -0.04 1.64 1.34 3gk7B1 LEU 313 HD13 -0.10 -0.06 -0.36 -0.04 0.93 0.37 3gk7B1 LEU 313 HD23 -0.10 0.02 -0.09 -0.04 0.89 0.67 3gk7B1 GLN 314 H 0.01 0.38 0.37 -0.55 8.47 8.69 3gk7B1 GLN 314 HA 0.00 0.26 0.43 -0.75 4.36 4.30 3gk7B1 GLN 314 HB2 -0.01 0.12 0.09 -0.04 2.15 2.31 3gk7B1 GLN 314 HB3 -0.02 0.11 0.05 -0.04 2.02 2.12 3gk7B1 GLN 314 HG2 -0.00 -0.06 -0.06 -0.04 2.40 2.23 3gk7B1 GLN 314 HG3 0.01 -0.07 -0.16 -0.04 2.39 2.12 3gk7B1 GLN 314 HE21 -0.01 -0.04 -0.02 -0.04 6.97 6.86 3gk7B1 GLN 314 HE22 -0.02 0.18 -0.04 -0.04 7.69 7.76 3gk7B1 VAL 315 H 0.02 0.69 0.29 -0.55 8.24 8.69 3gk7B1 VAL 315 HA 0.04 0.24 0.98 -0.75 4.13 4.64 3gk7B1 VAL 315 HB 0.06 -0.01 0.03 -0.04 2.12 2.17 3gk7B1 VAL 315 HG13 0.07 0.06 -0.19 -0.04 0.97 0.87 3gk7B1 VAL 315 HG23 0.05 -0.02 -0.29 -0.04 0.95 0.65 3gk7B1 ASP 316 H 0.04 0.41 0.17 -0.55 8.40 8.48 3gk7B1 ASP 316 HA -0.04 0.45 0.74 -0.75 4.63 5.03 3gk7B1 ASP 316 HB2 -0.12 0.20 -0.19 -0.04 2.71 2.56 3gk7B1 ASP 316 HB3 -0.01 -0.08 -0.16 -0.04 2.70 2.41 3gk7B1 PHE 317 H -0.09 0.40 0.22 -0.55 8.34 8.32 3gk7B1 PHE 317 HA 0.08 0.09 0.33 -0.75 4.62 4.37 3gk7B1 PHE 317 HB2 -0.11 0.08 0.18 -0.04 3.15 3.26 3gk7B1 PHE 317 HB3 0.26 0.02 0.03 -0.04 3.06 3.32 3gk7B1 PHE 317 HD2 -0.06 0.02 -0.10 -0.04 7.28 7.10 3gk7B1 PHE 317 HE2 0.07 -0.02 -0.30 -0.04 7.38 7.09 3gk7B1 PHE 317 HZ 0.10 0.02 -0.02 -0.04 7.32 7.38 3gk7B1 MET 318 H 0.13 -0.00 -0.32 -0.55 8.47 7.74 3gk7B1 MET 318 HA 0.16 0.21 0.73 -0.75 4.52 4.86 3gk7B1 MET 318 HB2 0.08 -0.13 0.02 -0.04 2.15 2.09 3gk7B1 MET 318 HB3 0.08 0.02 0.10 -0.04 2.03 2.20 3gk7B1 MET 318 HG2 0.17 0.05 0.01 -0.04 2.63 2.82 3gk7B1 MET 318 HG3 0.10 -0.00 -0.00 -0.04 2.56 2.61 3gk7B1 MET 318 HE3 0.07 -0.02 0.01 -0.04 2.10 2.12 3gk7B1 GLY 319 H 0.12 0.51 -0.38 -0.55 8.43 8.13 3gk7B1 GLY 319 HA2 0.07 0.08 0.16 -0.51 4.01 3.80 3gk7B1 GLY 319 HA3 0.05 0.19 0.55 -0.51 4.01 4.30 3gk7B1 GLN 320 H 0.07 -0.05 -0.21 -0.55 8.47 7.73 3gk7B1 GLN 320 HA 0.05 0.13 0.60 -0.75 4.36 4.39 3gk7B1 GLN 320 HB2 0.05 -0.10 0.05 -0.04 2.15 2.10 3gk7B1 GLN 320 HB3 0.05 0.01 -0.06 -0.04 2.02 1.97 3gk7B1 GLN 320 HG2 0.05 -0.07 0.00 -0.04 2.40 2.34 3gk7B1 GLN 320 HG3 0.06 -0.01 -0.04 -0.04 2.39 2.36 3gk7B1 GLN 320 HE21 0.05 0.06 -0.02 -0.04 6.97 7.02 3gk7B1 GLN 320 HE22 0.06 -0.08 -0.00 -0.04 7.69 7.63 3gk7B1 ILE 321 H 0.06 0.58 0.20 -0.55 8.25 8.54 3gk7B1 ILE 321 HA 0.05 0.27 0.95 -0.75 4.18 4.69 3gk7B1 ILE 321 HB 0.06 -0.01 0.18 -0.04 1.89 2.08 3gk7B1 ILE 321 HG12 0.06 0.01 -0.18 -0.04 1.49 1.33 3gk7B1 ILE 321 HG13 0.06 0.12 -0.49 -0.04 1.21 0.85 3gk7B1 ILE 321 HG23 0.06 -0.03 -0.20 -0.04 0.93 0.72 3gk7B1 ILE 321 HD13 0.06 0.00 -0.13 -0.04 0.88 0.78 3gk7B1 VAL 322 H 0.03 0.91 0.38 -0.55 8.24 9.02 3gk7B1 VAL 322 HA 0.04 0.04 1.01 -0.75 4.13 4.47 3gk7B1 VAL 322 HB 0.02 0.03 0.19 -0.04 2.12 2.31 3gk7B1 VAL 322 HG13 0.01 0.02 -0.01 -0.04 0.97 0.96 3gk7B1 VAL 322 HG23 0.02 0.03 -0.24 -0.04 0.95 0.72 3gk7B1 SER 323 H 0.04 0.09 0.25 -0.55 8.46 8.30 3gk7B1 SER 323 HA 0.03 0.06 1.08 -0.75 4.49 4.91 3gk7B1 SER 323 HB2 0.09 -0.04 0.03 -0.04 3.95 3.99 3gk7B1 SER 323 HB3 0.08 0.17 0.19 -0.04 3.93 4.33 3gk7B1 ASP 324 H 0.02 0.02 0.16 -0.55 8.40 8.05 3gk7B1 ASP 324 HA -0.00 0.28 0.97 -0.75 4.63 5.13 3gk7B1 ASP 324 HB2 -0.12 -0.17 0.02 -0.04 2.71 2.40 3gk7B1 ASP 324 HB3 -0.00 0.20 -0.34 -0.04 2.70 2.52 3gk7B1 SER 325 H 0.02 0.14 0.07 -0.55 8.46 8.14 3gk7B1 SER 325 HA 0.16 0.19 0.78 -0.75 4.49 4.87 3gk7B1 SER 325 HB2 0.00 0.36 -0.20 -0.04 3.95 4.08 3gk7B1 SER 325 HB3 -0.05 -0.02 -0.23 -0.04 3.93 3.59 3gk7B1 ILE 326 H 0.26 0.75 0.08 -0.55 8.25 8.79 3gk7B1 ILE 326 HA 0.02 0.08 0.77 -0.75 4.18 4.29 3gk7B1 ILE 326 HB 0.28 0.02 0.09 -0.04 1.89 2.24 3gk7B1 ILE 326 HG12 -0.15 0.05 -0.10 -0.04 1.49 1.25 3gk7B1 ILE 326 HG13 -0.31 -0.07 -0.38 -0.04 1.21 0.40 3gk7B1 ILE 326 HG23 0.02 -0.01 -0.12 -0.04 0.93 0.79 3gk7B1 ILE 326 HD13 -0.50 0.00 -0.09 -0.04 0.88 0.25 3gk7B1 GLY 327 H 0.03 0.06 -0.08 -0.55 8.43 7.89 3gk7B1 GLY 327 HA2 0.01 0.05 -0.06 -0.51 4.01 3.51 3gk7B1 GLY 327 HA3 0.04 0.04 0.43 -0.51 4.01 4.00 3gk7B1 THR 328 H 0.02 0.13 0.11 -0.55 8.28 7.99 3gk7B1 THR 328 HA -0.03 0.21 0.18 -0.75 4.39 3.99 3gk7B1 THR 328 HB -0.02 0.04 0.10 -0.04 4.32 4.40 3gk7B1 THR 328 HG23 -0.03 0.02 -0.01 -0.04 1.22 1.16 3gk7B1 LYS 329 H 0.03 0.42 -0.48 -0.55 8.42 7.84 3gk7B1 LYS 329 HA -0.10 0.13 0.62 -0.75 4.32 4.22 3gk7B1 LYS 329 HB2 0.12 0.17 0.13 -0.04 1.87 2.25 3gk7B1 LYS 329 HB3 -0.14 -0.03 -0.11 -0.04 1.79 1.47 3gk7B1 LYS 329 HG2 -0.07 0.07 -0.03 -0.04 1.46 1.39 3gk7B1 LYS 329 HG3 0.01 -0.03 -0.02 -0.04 1.46 1.38 3gk7B1 LYS 329 HD2 0.03 -0.05 -0.04 -0.04 1.69 1.60 3gk7B1 LYS 329 HD3 -0.23 0.01 -0.06 -0.04 1.68 1.36 3gk7B1 LYS 329 HE2 -0.08 0.04 -0.01 -0.04 2.99 2.89 3gk7B1 LYS 329 HE3 -0.02 0.01 -0.03 -0.04 2.99 2.91 3gk7B1 GLN 330 H -0.20 0.22 0.13 -0.55 8.47 8.07 3gk7B1 GLN 330 HA -0.18 0.05 0.60 -0.75 4.36 4.08 3gk7B1 GLN 330 HB2 -0.34 0.09 -0.00 -0.04 2.15 1.85 3gk7B1 GLN 330 HB3 -0.32 0.01 0.06 -0.04 2.02 1.72 3gk7B1 GLN 330 HG2 -1.33 0.02 -0.12 -0.04 2.40 0.92 3gk7B1 GLN 330 HG3 -0.59 -0.04 -0.32 -0.04 2.39 1.40 3gk7B1 GLN 330 HE21 -0.34 -0.18 -0.23 -0.04 6.97 6.18 3gk7B1 GLN 330 HE22 -0.62 0.24 -0.28 -0.04 7.69 6.99 3gk7B1 PHE 331 H -0.04 0.57 0.32 -0.55 8.34 8.64 3gk7B1 PHE 331 HA -0.10 0.20 0.92 -0.75 4.62 4.89 3gk7B1 PHE 331 HB2 -0.08 -0.02 -0.23 -0.04 3.15 2.78 3gk7B1 PHE 331 HB3 -0.06 -0.02 -0.17 -0.04 3.06 2.76 3gk7B1 PHE 331 HD2 -0.04 -0.02 -0.16 -0.04 7.28 7.02 3gk7B1 PHE 331 HE2 -0.02 -0.00 -0.08 -0.04 7.38 7.23 3gk7B1 PHE 331 HZ -0.02 -0.00 -0.08 -0.04 7.32 7.18 3gk7B1 SER 332 H -0.14 0.26 0.10 -0.55 8.46 8.14 3gk7B1 SER 332 HA -0.28 0.38 0.79 -0.75 4.49 4.63 3gk7B1 SER 332 HB2 -0.56 -0.02 0.19 -0.04 3.95 3.51 3gk7B1 SER 332 HB3 -0.01 0.08 -0.07 -0.04 3.93 3.89 3gk7B1 GLY 333 H -0.57 0.38 0.26 -0.55 8.43 7.95 3gk7B1 GLY 333 HA2 0.04 0.12 0.38 -0.51 4.01 4.04 3gk7B1 GLY 333 HA3 -0.24 0.11 0.53 -0.51 4.01 3.89 3gk7B1 VAL 334 H 0.19 0.26 0.18 -0.55 8.24 8.33 3gk7B1 VAL 334 HA 0.20 0.07 0.50 -0.75 4.13 4.14 3gk7B1 VAL 334 HB 0.16 0.07 0.12 -0.04 2.12 2.44 3gk7B1 VAL 334 HG13 0.19 0.04 0.00 -0.04 0.97 1.16 3gk7B1 VAL 334 HG23 0.36 -0.02 -0.00 -0.04 0.95 1.25 3gk7B1 GLY 335 H 0.45 0.15 -0.12 -0.55 8.43 8.36 3gk7B1 GLY 335 HA2 0.24 0.10 0.37 -0.51 4.01 4.21 3gk7B1 GLY 335 HA3 0.39 0.05 0.54 -0.51 4.01 4.48 3gk7B1 GLY 336 H 0.38 0.20 0.25 -0.55 8.43 8.72 3gk7B1 GLY 336 HA2 0.41 0.04 0.82 -0.51 4.01 4.77 3gk7B1 GLY 336 HA3 0.51 0.07 0.40 -0.51 4.01 4.48 3gk7B1 GLN 337 H 0.31 0.60 -0.05 -0.55 8.47 8.79 3gk7B1 GLN 337 HA 0.22 0.07 0.28 -0.75 4.36 4.18 3gk7B1 GLN 337 HB2 0.20 0.04 0.17 -0.04 2.15 2.52 3gk7B1 GLN 337 HB3 0.22 0.01 0.17 -0.04 2.02 2.38 3gk7B1 GLN 337 HG2 0.15 -0.01 -0.28 -0.04 2.40 2.22 3gk7B1 GLN 337 HG3 0.14 0.01 -0.05 -0.04 2.39 2.45 3gk7B1 GLN 337 HE21 0.11 0.30 0.07 -0.04 6.97 7.41 3gk7B1 GLN 337 HE22 0.14 -0.12 0.06 -0.04 7.69 7.73 3gk7B1 VAL 338 H 0.24 0.12 -0.11 -0.55 8.24 7.94 3gk7B1 VAL 338 HA 0.08 0.12 0.47 -0.75 4.13 4.05 3gk7B1 VAL 338 HB 0.18 -0.05 0.06 -0.04 2.12 2.26 3gk7B1 VAL 338 HG13 -0.08 0.03 -0.03 -0.04 0.97 0.85 3gk7B1 VAL 338 HG23 0.23 0.03 0.01 -0.04 0.95 1.18 3gk7B1 ASP 339 H 0.07 -0.02 -0.26 -0.55 8.40 7.65 3gk7B1 ASP 339 HA -0.29 0.06 0.46 -0.75 4.63 4.11 3gk7B1 ASP 339 HB2 0.08 0.08 0.20 -0.04 2.71 3.02 3gk7B1 ASP 339 HB3 -0.26 0.43 0.15 -0.04 2.70 2.98 3gk7B1 PHE 340 H 0.26 0.42 -0.16 -0.55 8.34 8.30 3gk7B1 PHE 340 HA 0.00 0.09 0.45 -0.75 4.62 4.41 3gk7B1 PHE 340 HB2 0.07 0.06 0.12 -0.04 3.15 3.37 3gk7B1 PHE 340 HB3 0.06 0.03 -0.02 -0.04 3.06 3.08 3gk7B1 PHE 340 HD2 0.09 0.08 0.04 -0.04 7.28 7.46 3gk7B1 PHE 340 HE2 0.19 0.04 -0.03 -0.04 7.38 7.53 3gk7B1 PHE 340 HZ 0.09 0.01 -0.26 -0.04 7.32 7.12 3gk7B1 VAL 341 H 0.15 0.45 -0.01 -0.55 8.24 8.28 3gk7B1 VAL 341 HA 0.09 0.02 0.42 -0.75 4.13 3.92 3gk7B1 VAL 341 HB 0.06 -0.05 0.15 -0.04 2.12 2.24 3gk7B1 VAL 341 HG13 0.04 -0.02 -0.14 -0.04 0.97 0.81 3gk7B1 VAL 341 HG23 0.10 0.02 -0.04 -0.04 0.95 1.00 3gk7B1 ARG 342 H -0.04 0.56 -0.21 -0.55 8.46 8.21 3gk7B1 ARG 342 HA -0.04 0.07 0.37 -0.75 4.34 3.98 3gk7B1 ARG 342 HB2 -0.18 0.08 0.17 -0.04 1.90 1.93 3gk7B1 ARG 342 HB3 -0.13 -0.03 0.01 -0.04 1.80 1.61 3gk7B1 ARG 342 HG2 -0.06 0.02 0.00 -0.04 1.67 1.59 3gk7B1 ARG 342 HG3 -0.08 0.02 0.06 -0.04 1.67 1.63 3gk7B1 ARG 342 HD2 -0.29 -0.07 -0.07 -0.04 3.22 2.75 3gk7B1 ARG 342 HD3 -0.15 0.00 -0.02 -0.04 3.22 3.01 3gk7B1 GLY 343 H -0.12 0.47 -0.07 -0.55 8.43 8.16 3gk7B1 GLY 343 HA2 -0.11 0.11 0.34 -0.51 4.01 3.84 3gk7B1 GLY 343 HA3 -0.14 -0.02 0.26 -0.51 4.01 3.60 3gk7B1 ALA 344 H 0.03 0.57 -0.23 -0.55 8.40 8.22 3gk7B1 ALA 344 HA 0.03 0.01 0.40 -0.75 4.34 4.02 3gk7B1 ALA 344 HB3 0.08 -0.01 -0.16 -0.04 1.41 1.28 3gk7B1 SER 345 H 0.00 0.45 -0.18 -0.55 8.46 8.19 3gk7B1 SER 345 HA 0.01 0.08 0.50 -0.75 4.49 4.31 3gk7B1 SER 345 HB2 -0.00 -0.02 0.08 -0.04 3.95 3.97 3gk7B1 SER 345 HB3 -0.01 0.05 0.16 -0.04 3.93 4.09 3gk7B1 MET 346 H -0.03 0.42 -0.26 -0.55 8.47 8.06 3gk7B1 MET 346 HA -0.02 0.07 0.53 -0.75 4.52 4.34 3gk7B1 MET 346 HB2 -0.05 0.09 0.05 -0.04 2.15 2.19 3gk7B1 MET 346 HB3 -0.04 -0.08 0.08 -0.04 2.03 1.95 3gk7B1 MET 346 HG2 -0.04 -0.06 -0.03 -0.04 2.63 2.46 3gk7B1 MET 346 HG3 -0.04 0.04 -0.05 -0.04 2.56 2.46 3gk7B1 MET 346 HE3 -0.05 -0.02 -0.19 -0.04 2.10 1.80 3gk7B1 SER 347 H -0.01 0.26 -0.59 -0.55 8.46 7.58 3gk7B1 SER 347 HA -0.03 0.14 0.41 -0.75 4.49 4.27 3gk7B1 SER 347 HB2 -0.00 -0.05 0.18 -0.04 3.95 4.04 3gk7B1 SER 347 HB3 0.00 0.16 0.26 -0.04 3.93 4.30 3gk7B1 ILE 348 H -0.03 0.68 0.38 -0.55 8.25 8.73 3gk7B1 ILE 348 HA -0.02 0.11 0.50 -0.75 4.18 4.03 3gk7B1 ILE 348 HB -0.02 0.06 0.20 -0.04 1.89 2.08 3gk7B1 ILE 348 HG12 -0.02 -0.03 0.07 -0.04 1.49 1.46 3gk7B1 ILE 348 HG13 -0.03 0.11 0.05 -0.04 1.21 1.30 3gk7B1 ILE 348 HG23 -0.01 -0.02 -0.02 -0.04 0.93 0.83 3gk7B1 ILE 348 HD13 -0.03 -0.03 -0.02 -0.04 0.88 0.76 3gk7B1 ASP 349 H -0.01 0.10 -0.06 -0.55 8.40 7.89 3gk7B1 ASP 349 HA -0.00 0.18 0.66 -0.75 4.63 4.71 3gk7B1 ASP 349 HB2 0.00 0.04 0.14 -0.04 2.71 2.86 3gk7B1 ASP 349 HB3 -0.00 0.04 0.09 -0.04 2.70 2.79 3gk7B1 GLY 350 H -0.00 0.32 -0.50 -0.55 8.43 7.71 3gk7B1 GLY 350 HA2 0.01 0.15 0.29 -0.51 4.01 3.95 3gk7B1 GLY 350 HA3 0.01 0.07 0.46 -0.51 4.01 4.03 3gk7B1 LYS 351 H 0.01 -0.09 -0.25 -0.55 8.42 7.53 3gk7B1 LYS 351 HA 0.03 0.26 0.80 -0.75 4.32 4.66 3gk7B1 LYS 351 HB2 0.02 -0.18 0.03 -0.04 1.87 1.70 3gk7B1 LYS 351 HB3 0.02 0.03 0.11 -0.04 1.79 1.91 3gk7B1 LYS 351 HG2 0.02 0.07 -0.13 -0.04 1.46 1.38 3gk7B1 LYS 351 HG3 0.01 0.17 -0.23 -0.04 1.46 1.38 3gk7B1 LYS 351 HD2 0.01 -0.07 0.00 -0.04 1.69 1.59 3gk7B1 LYS 351 HD3 0.02 0.00 0.00 -0.04 1.68 1.66 3gk7B1 LYS 351 HE2 0.01 -0.00 -0.01 -0.04 2.99 2.95 3gk7B1 LYS 351 HE3 0.01 0.07 0.01 -0.04 2.99 3.04 3gk7B1 GLY 352 H 0.02 -0.02 -0.00 -0.55 8.43 7.88 3gk7B1 GLY 352 HA2 0.04 0.15 0.51 -0.51 4.01 4.21 3gk7B1 GLY 352 HA3 0.04 0.12 0.42 -0.51 4.01 4.07 3gk7B1 LYS 353 H 0.07 0.65 0.37 -0.55 8.42 8.96 3gk7B1 LYS 353 HA 0.18 0.15 0.82 -0.75 4.32 4.72 3gk7B1 LYS 353 HB2 0.06 -0.06 0.11 -0.04 1.87 1.94 3gk7B1 LYS 353 HB3 0.19 -0.08 0.01 -0.04 1.79 1.87 3gk7B1 LYS 353 HG2 0.21 0.01 -0.09 -0.04 1.46 1.55 3gk7B1 LYS 353 HG3 0.08 0.20 -0.18 -0.04 1.46 1.51 3gk7B1 LYS 353 HD2 -0.06 -0.03 0.02 -0.04 1.69 1.57 3gk7B1 LYS 353 HD3 -0.17 -0.10 0.01 -0.04 1.68 1.38 3gk7B1 LYS 353 HE2 0.02 0.04 0.03 -0.04 2.99 3.04 3gk7B1 LYS 353 HE3 -0.03 0.37 0.14 -0.04 2.99 3.43 3gk7B1 ALA 354 H 0.19 0.20 0.17 -0.55 8.40 8.41 3gk7B1 ALA 354 HA 0.11 0.16 1.06 -0.75 4.34 4.92 3gk7B1 ALA 354 HB3 0.10 0.01 0.08 -0.04 1.41 1.55 3gk7B1 ILE 355 H 0.09 0.91 0.36 -0.55 8.25 9.06 3gk7B1 ILE 355 HA 0.17 0.19 0.98 -0.75 4.18 4.76 3gk7B1 ILE 355 HB 0.04 -0.01 0.14 -0.04 1.89 2.02 3gk7B1 ILE 355 HG12 -0.06 0.02 -0.12 -0.04 1.49 1.28 3gk7B1 ILE 355 HG13 0.03 -0.08 -0.33 -0.04 1.21 0.79 3gk7B1 ILE 355 HG23 0.05 -0.02 -0.24 -0.04 0.93 0.67 3gk7B1 ILE 355 HD13 -0.07 0.01 -0.11 -0.04 0.88 0.67 3gk7B1 ILE 356 H 0.11 0.74 0.26 -0.55 8.25 8.81 3gk7B1 ILE 356 HA 0.07 0.27 0.99 -0.75 4.18 4.75 3gk7B1 ILE 356 HB 0.08 0.09 0.15 -0.04 1.89 2.17 3gk7B1 ILE 356 HG12 0.09 0.00 -0.37 -0.04 1.49 1.18 3gk7B1 ILE 356 HG13 0.08 -0.03 -0.13 -0.04 1.21 1.09 3gk7B1 ILE 356 HG23 0.07 -0.03 -0.29 -0.04 0.93 0.63 3gk7B1 ILE 356 HD13 0.09 -0.02 -0.16 -0.04 0.88 0.75 3gk7B1 ALA 357 H 0.06 0.62 0.42 -0.55 8.40 8.95 3gk7B1 ALA 357 HA 0.05 0.32 1.08 -0.75 4.34 5.04 3gk7B1 ALA 357 HB3 0.04 -0.03 -0.10 -0.04 1.41 1.28 3gk7B1 MET 358 H 0.04 0.71 0.37 -0.55 8.47 9.05 3gk7B1 MET 358 HA 0.03 0.02 0.58 -0.75 4.52 4.39 3gk7B1 MET 358 HB2 0.02 0.12 0.04 -0.04 2.15 2.28 3gk7B1 MET 358 HB3 0.03 -0.03 -0.15 -0.04 2.03 1.84 3gk7B1 MET 358 HG2 0.04 -0.04 -0.28 -0.04 2.63 2.31 3gk7B1 MET 358 HG3 0.04 0.01 -0.31 -0.04 2.56 2.25 3gk7B1 MET 358 HE3 0.04 -0.03 -0.30 -0.04 2.10 1.76 3gk7B1 PRO 359 HA 0.03 -0.06 0.66 -0.51 4.44 4.55 3gk7B1 PRO 359 HB2 0.02 0.21 0.06 -0.04 2.28 2.54 3gk7B1 PRO 359 HB3 0.03 -0.06 0.18 -0.04 2.02 2.14 3gk7B1 PRO 359 HG2 0.01 0.08 0.13 -0.04 2.03 2.20 3gk7B1 PRO 359 HG3 0.01 -0.07 0.10 -0.04 2.03 2.03 3gk7B1 PRO 359 HD2 0.01 0.22 0.25 -0.04 3.68 4.11 3gk7B1 PRO 359 HD3 0.02 0.07 0.19 -0.04 3.65 3.88 3gk7B1 SER 360 H 0.10 0.03 0.26 -0.55 8.46 8.30 3gk7B1 SER 360 HA 0.08 0.20 0.49 -0.75 4.49 4.50 3gk7B1 SER 360 HB2 0.20 -0.08 0.21 -0.04 3.95 4.24 3gk7B1 SER 360 HB3 0.26 0.10 0.19 -0.04 3.93 4.44 3gk7B1 VAL 361 H 0.08 0.08 -0.10 -0.55 8.24 7.75 3gk7B1 VAL 361 HA -0.07 0.25 1.06 -0.75 4.13 4.61 3gk7B1 VAL 361 HB 0.01 0.10 0.04 -0.04 2.12 2.22 3gk7B1 VAL 361 HG13 0.00 -0.03 -0.19 -0.04 0.97 0.71 3gk7B1 VAL 361 HG23 0.09 -0.04 -0.08 -0.04 0.95 0.88 3gk7B1 ALA 362 H -0.04 0.58 0.30 -0.55 8.40 8.70 3gk7B1 ALA 362 HA 0.00 0.11 0.69 -0.75 4.34 4.38 3gk7B1 ALA 362 HB3 -0.03 0.03 -0.01 -0.04 1.41 1.36 3gk7B1 LYS 363 H 0.01 0.16 0.11 -0.55 8.42 8.14 3gk7B1 LYS 363 HA 0.02 0.23 0.96 -0.75 4.32 4.78 3gk7B1 LYS 363 HB2 0.02 -0.08 0.06 -0.04 1.87 1.83 3gk7B1 LYS 363 HB3 0.01 -0.03 0.11 -0.04 1.79 1.84 3gk7B1 LYS 363 HG2 0.01 0.13 -0.11 -0.04 1.46 1.46 3gk7B1 LYS 363 HG3 0.02 0.08 -0.11 -0.04 1.46 1.40 3gk7B1 LYS 363 HD2 0.01 -0.08 -0.02 -0.04 1.69 1.57 3gk7B1 LYS 363 HD3 0.01 -0.04 -0.01 -0.04 1.68 1.59 3gk7B1 LYS 363 HE2 0.01 0.01 0.03 -0.04 2.99 3.00 3gk7B1 LYS 363 HE3 0.01 0.05 0.01 -0.04 2.99 3.02 3gk7B1 LYS 364 H 0.02 0.63 0.15 -0.55 8.42 8.67 3gk7B1 LYS 364 HA 0.01 0.09 0.55 -0.75 4.32 4.21 3gk7B1 LYS 364 HB2 0.02 0.09 0.04 -0.04 1.87 1.98 3gk7B1 LYS 364 HB3 0.02 -0.17 0.05 -0.04 1.79 1.64 3gk7B1 LYS 364 HG2 0.01 0.02 -0.03 -0.04 1.46 1.41 3gk7B1 LYS 364 HG3 0.02 0.05 -0.13 -0.04 1.46 1.35 3gk7B1 LYS 364 HD2 0.02 0.04 -0.08 -0.04 1.69 1.63 3gk7B1 LYS 364 HD3 0.02 -0.06 -0.02 -0.04 1.68 1.57 3gk7B1 LYS 364 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 3gk7B1 LYS 364 HE3 0.01 0.02 -0.05 -0.04 2.99 2.93 3gk7B1 LYS 365 H 0.01 0.15 0.15 -0.55 8.42 8.18 3gk7B1 LYS 365 HA 0.01 0.16 0.44 -0.75 4.32 4.18 3gk7B1 LYS 365 HB2 0.02 -0.02 0.13 -0.04 1.87 1.95 3gk7B1 LYS 365 HB3 0.01 0.05 0.09 -0.04 1.79 1.90 3gk7B1 LYS 365 HG2 0.01 0.03 0.05 -0.04 1.46 1.51 3gk7B1 LYS 365 HG3 0.01 -0.01 0.03 -0.04 1.46 1.45 3gk7B1 LYS 365 HD2 0.02 -0.01 0.04 -0.04 1.69 1.69 3gk7B1 LYS 365 HD3 0.02 0.02 0.02 -0.04 1.68 1.71 3gk7B1 LYS 365 HE2 0.03 0.01 0.01 -0.04 2.99 3.00 3gk7B1 LYS 365 HE3 0.02 0.01 0.01 -0.04 2.99 2.98 3gk7B1 ASP 366 H 0.01 0.00 -0.25 -0.55 8.40 7.62 3gk7B1 ASP 366 HA 0.01 0.22 0.69 -0.75 4.63 4.79 3gk7B1 ASP 366 HB2 0.01 0.07 0.14 -0.04 2.71 2.89 3gk7B1 ASP 366 HB3 0.01 -0.01 0.06 -0.04 2.70 2.72 3gk7B1 GLY 367 H 0.01 0.47 -0.58 -0.55 8.43 7.79 3gk7B1 GLY 367 HA2 0.01 0.04 0.26 -0.51 4.01 3.81 3gk7B1 GLY 367 HA3 0.01 0.13 0.56 -0.51 4.01 4.20 3gk7B1 SER 368 H 0.02 -0.03 -0.40 -0.55 8.46 7.49 3gk7B1 SER 368 HA 0.02 0.13 0.55 -0.75 4.49 4.43 3gk7B1 SER 368 HB2 0.04 0.07 0.10 -0.04 3.95 4.11 3gk7B1 SER 368 HB3 0.02 0.05 0.02 -0.04 3.93 3.98 3gk7B1 MET 369 H 0.05 0.15 0.20 -0.55 8.47 8.34 3gk7B1 MET 369 HA 0.07 0.25 1.03 -0.75 4.52 5.12 3gk7B1 MET 369 HB2 0.04 -0.00 0.11 -0.04 2.15 2.26 3gk7B1 MET 369 HB3 0.29 -0.03 -0.06 -0.04 2.03 2.19 3gk7B1 MET 369 HG2 0.01 -0.06 -0.06 -0.04 2.63 2.48 3gk7B1 MET 369 HG3 0.07 0.06 -0.02 -0.04 2.56 2.63 3gk7B1 MET 369 HE3 0.02 -0.03 -0.17 -0.04 2.10 1.87 3gk7B1 ILE 370 H 0.04 0.66 0.35 -0.55 8.25 8.75 3gk7B1 ILE 370 HA 0.07 0.19 0.90 -0.75 4.18 4.58 3gk7B1 ILE 370 HB -0.06 0.12 0.00 -0.04 1.89 1.91 3gk7B1 ILE 370 HG12 -0.01 -0.01 -0.08 -0.04 1.49 1.36 3gk7B1 ILE 370 HG13 -0.05 -0.17 0.03 -0.04 1.21 0.97 3gk7B1 ILE 370 HG23 0.03 -0.01 -0.15 -0.04 0.93 0.76 3gk7B1 ILE 370 HD13 -0.03 0.02 -0.12 -0.04 0.88 0.70 3gk7B1 SER 371 H -0.63 0.16 0.16 -0.55 8.46 7.60 3gk7B1 SER 371 HA -0.55 0.11 0.87 -0.75 4.49 4.17 3gk7B1 SER 371 HB2 -1.50 -0.08 0.16 -0.04 3.95 2.49 3gk7B1 SER 371 HB3 -0.41 0.06 0.16 -0.04 3.93 3.70 3gk7B1 LYS 372 H -0.12 0.65 0.34 -0.55 8.42 8.74 3gk7B1 LYS 372 HA -0.07 0.11 0.75 -0.75 4.32 4.35 3gk7B1 LYS 372 HB2 -0.02 0.10 -0.05 -0.04 1.87 1.87 3gk7B1 LYS 372 HB3 -0.02 0.03 0.07 -0.04 1.79 1.83 3gk7B1 LYS 372 HG2 -0.04 0.06 -0.02 -0.04 1.46 1.41 3gk7B1 LYS 372 HG3 -0.06 -0.14 -0.27 -0.04 1.46 0.95 3gk7B1 LYS 372 HD2 -0.02 -0.11 -0.45 -0.04 1.69 1.07 3gk7B1 LYS 372 HD3 -0.00 0.34 -0.24 -0.04 1.68 1.74 3gk7B1 LYS 372 HE2 -0.01 0.08 0.03 -0.04 2.99 3.04 3gk7B1 LYS 372 HE3 -0.04 -0.04 0.05 -0.04 2.99 2.93 3gk7B1 ILE 373 H -0.05 0.07 0.06 -0.55 8.25 7.78 3gk7B1 ILE 373 HA 0.05 0.23 0.76 -0.75 4.18 4.47 3gk7B1 ILE 373 HB 0.06 -0.11 0.08 -0.04 1.89 1.88 3gk7B1 ILE 373 HG12 0.05 -0.10 -0.00 -0.04 1.49 1.40 3gk7B1 ILE 373 HG13 0.09 0.10 -0.11 -0.04 1.21 1.24 3gk7B1 ILE 373 HG23 0.22 0.02 -0.36 -0.04 0.93 0.77 3gk7B1 ILE 373 HD13 0.08 0.01 -0.14 -0.04 0.88 0.79 3gk7B1 VAL 374 H -0.01 0.64 0.15 -0.55 8.24 8.47 3gk7B1 VAL 374 HA -0.15 0.20 0.85 -0.75 4.13 4.28 3gk7B1 VAL 374 HB -0.11 0.03 -0.07 -0.04 2.12 1.93 3gk7B1 VAL 374 HG13 -0.07 -0.03 -0.33 -0.04 0.97 0.50 3gk7B1 VAL 374 HG23 -0.05 -0.04 -0.39 -0.04 0.95 0.43 3gk7B1 PRO 375 HA -2.33 0.06 0.60 -0.51 4.44 2.25 3gk7B1 PRO 375 HB2 -0.86 0.05 0.02 -0.04 2.28 1.44 3gk7B1 PRO 375 HB3 -0.95 0.07 0.06 -0.04 2.02 1.16 3gk7B1 PRO 375 HG2 -0.16 0.06 0.08 -0.04 2.03 1.97 3gk7B1 PRO 375 HG3 -0.38 0.05 0.06 -0.04 2.03 1.72 3gk7B1 PRO 375 HD2 -0.19 0.10 0.20 -0.04 3.68 3.76 3gk7B1 PRO 375 HD3 -0.23 0.17 0.20 -0.04 3.65 3.75 3gk7B1 PHE 376 H -0.19 0.25 -0.06 -0.55 8.34 7.79 3gk7B1 PHE 376 HA -0.10 0.09 0.82 -0.75 4.62 4.67 3gk7B1 PHE 376 HB2 -0.08 0.01 -0.05 -0.04 3.15 2.99 3gk7B1 PHE 376 HB3 -0.05 0.05 -0.01 -0.04 3.06 3.00 3gk7B1 PHE 376 HD2 -0.09 -0.03 -0.03 -0.04 7.28 7.09 3gk7B1 PHE 376 HE2 -0.10 0.02 -0.04 -0.04 7.38 7.23 3gk7B1 PHE 376 HZ -0.11 0.06 -0.04 -0.04 7.32 7.19 3gk7B1 ILE 377 H 0.10 0.08 0.03 -0.55 8.25 7.91 3gk7B1 ILE 377 HA 0.02 0.05 0.31 -0.75 4.18 3.80 3gk7B1 ILE 377 HB 0.03 -0.01 -0.06 -0.04 1.89 1.81 3gk7B1 ILE 377 HG12 0.07 -0.07 -0.02 -0.04 1.49 1.42 3gk7B1 ILE 377 HG13 0.03 0.16 -0.33 -0.04 1.21 1.03 3gk7B1 ILE 377 HG23 0.03 -0.01 -0.12 -0.04 0.93 0.79 3gk7B1 ILE 377 HD13 0.02 0.00 -0.17 -0.04 0.88 0.70 3gk7B1 ASP 378 H 0.02 0.05 0.07 -0.55 8.40 7.99 3gk7B1 ASP 378 HA 0.05 0.11 0.41 -0.75 4.63 4.44 3gk7B1 ASP 378 HB2 0.02 -0.17 0.08 -0.04 2.71 2.60 3gk7B1 ASP 378 HB3 0.04 0.07 0.01 -0.04 2.70 2.79 3gk7B1 HIS 379 H 0.13 0.12 0.13 -0.55 8.41 8.24 3gk7B1 HIS 379 HA -0.01 0.07 0.38 -0.75 4.63 4.31 3gk7B1 HIS 379 HB2 -0.02 0.04 0.12 -0.04 3.26 3.37 3gk7B1 HIS 379 HB3 -0.01 -0.04 0.14 -0.04 3.20 3.25 3gk7B1 HIS 379 HD2 -0.01 -0.03 -0.11 -0.04 6.97 6.78 3gk7B1 HIS 379 HE1 -0.02 0.03 -0.02 -0.04 7.75 7.69 3gk7B1 GLY 380 H -0.29 0.16 0.12 -0.55 8.43 7.87 3gk7B1 GLY 380 HA2 -0.25 0.04 0.24 -0.51 4.01 3.53 3gk7B1 GLY 380 HA3 -0.26 0.06 0.29 -0.51 4.01 3.59 3gk7B1 ALA 381 H -0.04 0.39 -0.52 -0.55 8.40 7.67 3gk7B1 ALA 381 HA -0.02 0.31 0.31 -0.75 4.34 4.19 3gk7B1 ALA 381 HB3 0.01 -0.06 -0.09 -0.04 1.41 1.22 3gk7B1 ALA 382 H -0.01 0.09 0.02 -0.55 8.40 7.96 3gk7B1 ALA 382 HA 0.00 0.17 0.67 -0.75 4.34 4.43 3gk7B1 ALA 382 HB3 0.01 0.01 -0.04 -0.04 1.41 1.35 3gk7B1 VAL 383 H 0.02 0.21 0.04 -0.55 8.24 7.96 3gk7B1 VAL 383 HA 0.04 0.05 0.52 -0.75 4.13 3.99 3gk7B1 VAL 383 HB 0.04 0.03 0.05 -0.04 2.12 2.20 3gk7B1 VAL 383 HG13 0.05 -0.03 -0.32 -0.04 0.97 0.64 3gk7B1 VAL 383 HG23 0.03 0.02 -0.10 -0.04 0.95 0.86 3gk7B1 THR 384 H 0.06 0.50 0.37 -0.55 8.28 8.67 3gk7B1 THR 384 HA 0.09 0.13 0.74 -0.75 4.39 4.60 3gk7B1 THR 384 HB 0.09 0.06 0.14 -0.04 4.32 4.57 3gk7B1 THR 384 HG23 0.14 0.00 -0.06 -0.04 1.22 1.26 3gk7B1 THR 385 H 0.08 0.39 0.18 -0.55 8.28 8.39 3gk7B1 THR 385 HA 0.11 0.11 0.84 -0.75 4.39 4.69 3gk7B1 THR 385 HB 0.08 -0.02 0.10 -0.04 4.32 4.43 3gk7B1 THR 385 HG23 0.07 0.05 -0.19 -0.04 1.22 1.11 3gk7B1 SER 386 H 0.08 0.17 0.03 -0.55 8.46 8.20 3gk7B1 SER 386 HA 0.06 0.03 0.28 -0.75 4.49 4.11 3gk7B1 SER 386 HB2 0.05 0.02 0.09 -0.04 3.95 4.07 3gk7B1 SER 386 HB3 0.07 0.11 0.05 -0.04 3.93 4.12 3gk7B1 ARG 387 H 0.04 0.10 0.11 -0.55 8.46 8.16 3gk7B1 ARG 387 HA 0.04 0.33 0.18 -0.75 4.34 4.14 3gk7B1 ARG 387 HB2 0.04 0.31 0.01 -0.04 1.90 2.22 3gk7B1 ARG 387 HB3 0.05 -0.15 -0.10 -0.04 1.80 1.56 3gk7B1 ARG 387 HG2 0.04 -0.13 0.05 -0.04 1.67 1.59 3gk7B1 ARG 387 HG3 0.03 0.07 -0.15 -0.04 1.67 1.58 3gk7B1 ARG 387 HD2 0.04 0.11 -0.01 -0.04 3.22 3.33 3gk7B1 ARG 387 HD3 0.05 -0.08 -0.01 -0.04 3.22 3.15 3gk7B1 ASN 388 H 0.03 -0.05 -0.30 -0.55 8.53 7.67 3gk7B1 ASN 388 HA 0.01 0.19 0.46 -0.75 4.76 4.67 3gk7B1 ASN 388 HB2 0.02 -0.07 -0.02 -0.04 2.88 2.77 3gk7B1 ASN 388 HB3 0.01 0.08 0.03 -0.04 2.79 2.87 3gk7B1 ASN 388 HD21 0.02 0.03 -0.01 -0.04 7.03 7.03 3gk7B1 ASN 388 HD22 0.03 -0.04 -0.00 -0.04 7.74 7.68 3gk7B1 ASP 389 H 0.03 0.11 -0.40 -0.55 8.40 7.59 3gk7B1 ASP 389 HA 0.01 0.14 0.50 -0.75 4.63 4.53 3gk7B1 ASP 389 HB2 0.05 -0.00 0.00 -0.04 2.71 2.72 3gk7B1 ASP 389 HB3 0.04 -0.04 -0.05 -0.04 2.70 2.61 3gk7B1 ALA 390 H 0.02 0.23 -0.34 -0.55 8.40 7.76 3gk7B1 ALA 390 HA 0.03 -0.13 0.09 -0.75 4.34 3.58 3gk7B1 ALA 390 HB3 0.02 0.06 0.02 -0.04 1.41 1.48 3gk7B1 ASP 391 H 0.02 0.05 0.00 -0.55 8.40 7.93 3gk7B1 ASP 391 HA -0.12 0.09 0.86 -0.75 4.63 4.71 3gk7B1 ASP 391 HB2 0.00 0.10 0.07 -0.04 2.71 2.85 3gk7B1 ASP 391 HB3 0.06 0.17 0.40 -0.04 2.70 3.29 3gk7B1 TYR 392 H 0.15 0.57 0.39 -0.55 8.29 8.85 3gk7B1 TYR 392 HA 0.02 0.21 0.88 -0.75 4.56 4.92 3gk7B1 TYR 392 HB2 0.03 0.02 0.22 -0.04 3.06 3.29 3gk7B1 TYR 392 HB3 0.02 0.01 -0.02 -0.04 2.98 2.95 3gk7B1 TYR 392 HD2 0.02 0.01 -0.05 -0.04 7.15 7.09 3gk7B1 TYR 392 HE2 0.02 0.04 -0.02 -0.04 6.85 6.84 3gk7B1 VAL 393 H 0.12 0.75 0.41 -0.55 8.24 8.97 3gk7B1 VAL 393 HA 0.09 0.31 0.95 -0.75 4.13 4.73 3gk7B1 VAL 393 HB 0.07 -0.01 0.08 -0.04 2.12 2.22 3gk7B1 VAL 393 HG13 0.07 -0.01 -0.16 -0.04 0.97 0.82 3gk7B1 VAL 393 HG23 0.06 -0.00 -0.19 -0.04 0.95 0.78 3gk7B1 VAL 394 H 0.07 0.55 0.34 -0.55 8.24 8.65 3gk7B1 VAL 394 HA 0.03 0.37 1.16 -0.75 4.13 4.93 3gk7B1 VAL 394 HB 0.05 -0.12 -0.04 -0.04 2.12 1.97 3gk7B1 VAL 394 HG13 0.06 0.00 -0.14 -0.04 0.97 0.85 3gk7B1 VAL 394 HG23 0.04 -0.01 -0.30 -0.04 0.95 0.65 3gk7B1 THR 395 H 0.02 0.56 0.32 -0.55 8.28 8.62 3gk7B1 THR 395 HA 0.05 0.33 0.85 -0.75 4.39 4.87 3gk7B1 THR 395 HB 0.09 -0.26 0.26 -0.04 4.32 4.38 3gk7B1 THR 395 HG23 0.08 0.05 -0.19 -0.04 1.22 1.12 3gk7B1 GLU 396 H -0.02 0.05 0.21 -0.55 8.60 8.30 3gk7B1 GLU 396 HA 0.03 0.10 0.40 -0.75 4.29 4.06 3gk7B1 GLU 396 HB2 -0.22 0.05 0.20 -0.04 2.09 2.08 3gk7B1 GLU 396 HB3 -0.11 -0.04 0.23 -0.04 1.99 2.04 3gk7B1 GLU 396 HG2 -1.22 0.15 -0.13 -0.04 2.34 1.10 3gk7B1 GLU 396 HG3 -0.41 -0.02 0.04 -0.04 2.34 1.91 3gk7B1 TYR 397 H 0.04 0.01 -0.39 -0.55 8.29 7.40 3gk7B1 TYR 397 HA 0.08 0.17 0.78 -0.75 4.56 4.84 3gk7B1 TYR 397 HB2 0.01 0.17 -0.03 -0.04 3.06 3.17 3gk7B1 TYR 397 HB3 0.00 0.11 0.10 -0.04 2.98 3.15 3gk7B1 TYR 397 HD2 0.02 0.08 -0.09 -0.04 7.15 7.12 3gk7B1 TYR 397 HE2 -0.01 -0.07 -0.02 -0.04 6.85 6.71 3gk7B1 GLY 398 H -0.14 0.24 -0.11 -0.55 8.43 7.88 3gk7B1 GLY 398 HA2 -1.22 0.03 0.17 -0.51 4.01 2.48 3gk7B1 GLY 398 HA3 -0.23 0.23 0.92 -0.51 4.01 4.42 3gk7B1 ILE 399 H -0.12 0.22 0.16 -0.55 8.25 7.97 3gk7B1 ILE 399 HA 0.00 0.20 0.91 -0.75 4.18 4.54 3gk7B1 ILE 399 HB 0.01 -0.01 0.08 -0.04 1.89 1.93 3gk7B1 ILE 399 HG12 -0.02 0.02 -0.17 -0.04 1.49 1.28 3gk7B1 ILE 399 HG13 -0.12 -0.16 -0.26 -0.04 1.21 0.63 3gk7B1 ILE 399 HG23 0.14 -0.01 -0.21 -0.04 0.93 0.81 3gk7B1 ILE 399 HD13 0.00 0.05 -0.06 -0.04 0.88 0.84 3gk7B1 ALA 400 H 0.08 0.81 0.36 -0.55 8.40 9.11 3gk7B1 ALA 400 HA 0.05 0.15 0.84 -0.75 4.34 4.61 3gk7B1 ALA 400 HB3 0.05 0.02 -0.15 -0.04 1.41 1.29 3gk7B1 GLU 401 H 0.02 0.18 0.07 -0.55 8.60 8.33 3gk7B1 GLU 401 HA -0.14 0.11 0.85 -0.75 4.29 4.35 3gk7B1 GLU 401 HB2 -0.04 -0.00 0.07 -0.04 2.09 2.08 3gk7B1 GLU 401 HB3 -0.16 0.06 -0.03 -0.04 1.99 1.82 3gk7B1 GLU 401 HG2 0.11 0.02 -0.08 -0.04 2.34 2.34 3gk7B1 GLU 401 HG3 0.10 -0.04 -0.09 -0.04 2.34 2.27 3gk7B1 MET 402 H -0.14 0.50 0.19 -0.55 8.47 8.47 3gk7B1 MET 402 HA -0.04 0.11 0.80 -0.75 4.52 4.64 3gk7B1 MET 402 HB2 -0.04 0.11 -0.24 -0.04 2.15 1.94 3gk7B1 MET 402 HB3 -0.01 -0.01 -0.05 -0.04 2.03 1.92 3gk7B1 MET 402 HG2 0.00 0.05 -0.17 -0.04 2.63 2.47 3gk7B1 MET 402 HG3 0.02 -0.10 -0.15 -0.04 2.56 2.29 3gk7B1 MET 402 HE3 0.02 0.05 -0.35 -0.04 2.10 1.77 3gk7B1 LYS 403 H -0.17 -0.01 0.07 -0.55 8.42 7.76 3gk7B1 LYS 403 HA -0.06 0.11 0.35 -0.75 4.32 3.97 3gk7B1 LYS 403 HB2 -0.12 0.08 0.24 -0.04 1.87 2.03 3gk7B1 LYS 403 HB3 -0.17 -0.06 0.16 -0.04 1.79 1.68 3gk7B1 LYS 403 HG2 -0.07 0.02 0.01 -0.04 1.46 1.38 3gk7B1 LYS 403 HG3 -0.06 -0.01 -0.20 -0.04 1.46 1.16 3gk7B1 LYS 403 HD2 -0.03 -0.03 0.01 -0.04 1.69 1.60 3gk7B1 LYS 403 HD3 -0.04 0.04 0.06 -0.04 1.68 1.70 3gk7B1 LYS 403 HE2 -0.05 -0.02 0.02 -0.04 2.99 2.91 3gk7B1 LYS 403 HE3 -0.03 0.00 0.02 -0.04 2.99 2.95 3gk7B1 GLY 404 H -0.04 0.16 0.20 -0.55 8.43 8.21 3gk7B1 GLY 404 HA2 -0.03 -0.03 0.32 -0.51 4.01 3.76 3gk7B1 GLY 404 HA3 -0.04 0.06 0.48 -0.51 4.01 4.00 3gk7B1 LYS 405 H -0.05 0.54 -0.25 -0.55 8.42 8.11 3gk7B1 LYS 405 HA -0.05 0.06 0.74 -0.75 4.32 4.31 3gk7B1 LYS 405 HB2 -0.05 0.14 -0.05 -0.04 1.87 1.87 3gk7B1 LYS 405 HB3 -0.06 -0.15 -0.10 -0.04 1.79 1.44 3gk7B1 LYS 405 HG2 -0.06 0.13 -0.61 -0.04 1.46 0.87 3gk7B1 LYS 405 HG3 -0.06 0.21 -0.26 -0.04 1.46 1.31 3gk7B1 LYS 405 HD2 -0.06 -0.05 -0.10 -0.04 1.69 1.45 3gk7B1 LYS 405 HD3 -0.06 -0.07 -0.08 -0.04 1.68 1.43 3gk7B1 LYS 405 HE2 -0.04 -0.05 -0.10 -0.04 2.99 2.75 3gk7B1 LYS 405 HE3 -0.05 0.11 -0.29 -0.04 2.99 2.72 3gk7B1 SER 406 H -0.07 0.09 0.14 -0.55 8.46 8.07 3gk7B1 SER 406 HA -0.05 0.16 0.46 -0.75 4.49 4.30 3gk7B1 SER 406 HB2 -0.09 -0.02 0.15 -0.04 3.95 3.96 3gk7B1 SER 406 HB3 -0.07 0.13 0.14 -0.04 3.93 4.08 3gk7B1 LEU 407 H -0.04 0.17 0.18 -0.55 8.37 8.13 3gk7B1 LEU 407 HA 0.01 0.17 0.45 -0.75 4.35 4.23 3gk7B1 LEU 407 HB2 0.00 -0.03 0.13 -0.04 1.64 1.70 3gk7B1 LEU 407 HB3 0.24 0.03 0.03 -0.04 1.64 1.90 3gk7B1 LEU 407 HG 0.04 -0.02 0.14 -0.04 1.64 1.76 3gk7B1 LEU 407 HD13 0.15 0.00 0.03 -0.04 0.93 1.07 3gk7B1 LEU 407 HD23 0.07 -0.00 0.09 -0.04 0.89 1.00 3gk7B1 GLN 408 H -0.32 0.07 -0.14 -0.55 8.47 7.54 3gk7B1 GLN 408 HA -0.97 0.11 0.38 -0.75 4.36 3.12 3gk7B1 GLN 408 HB2 -0.26 -0.05 0.06 -0.04 2.15 1.85 3gk7B1 GLN 408 HB3 -0.16 0.08 -0.05 -0.04 2.02 1.86 3gk7B1 GLN 408 HG2 -1.39 0.03 -0.01 -0.04 2.40 0.99 3gk7B1 GLN 408 HG3 -0.58 -0.06 0.02 -0.04 2.39 1.73 3gk7B1 GLN 408 HE21 -0.03 0.05 -0.03 -0.04 6.97 6.91 3gk7B1 GLN 408 HE22 -0.07 0.00 0.01 -0.04 7.69 7.59 3gk7B1 ASP 409 H -0.17 0.03 -0.23 -0.55 8.40 7.49 3gk7B1 ASP 409 HA -0.18 0.07 0.52 -0.75 4.63 4.29 3gk7B1 ASP 409 HB2 -0.11 -0.05 0.10 -0.04 2.71 2.61 3gk7B1 ASP 409 HB3 -0.11 0.07 0.01 -0.04 2.70 2.64 3gk7B1 ARG 410 H -0.08 0.66 -0.21 -0.55 8.46 8.28 3gk7B1 ARG 410 HA -0.02 0.09 0.46 -0.75 4.34 4.12 3gk7B1 ARG 410 HB2 0.01 0.13 0.12 -0.04 1.90 2.12 3gk7B1 ARG 410 HB3 0.03 -0.09 -0.15 -0.04 1.80 1.55 3gk7B1 ARG 410 HG2 -0.02 -0.02 0.01 -0.04 1.67 1.60 3gk7B1 ARG 410 HG3 -0.03 0.11 -0.26 -0.04 1.67 1.44 3gk7B1 ARG 410 HD2 0.02 -0.13 -0.18 -0.04 3.22 2.88 3gk7B1 ARG 410 HD3 0.03 -0.08 -0.24 -0.04 3.22 2.89 3gk7B1 ALA 411 H -0.04 0.62 -0.02 -0.55 8.40 8.41 3gk7B1 ALA 411 HA -0.02 -0.05 0.36 -0.75 4.34 3.88 3gk7B1 ALA 411 HB3 -0.09 0.03 0.14 -0.04 1.41 1.45 3gk7B1 ARG 412 H -0.08 0.60 -0.16 -0.55 8.46 8.27 3gk7B1 ARG 412 HA -0.04 -0.03 0.45 -0.75 4.34 3.96 3gk7B1 ARG 412 HB2 -0.25 0.07 0.18 -0.04 1.90 1.86 3gk7B1 ARG 412 HB3 -0.39 -0.06 0.01 -0.04 1.80 1.32 3gk7B1 ARG 412 HG2 -1.56 -0.05 0.07 -0.04 1.67 0.08 3gk7B1 ARG 412 HG3 -0.48 0.17 0.09 -0.04 1.67 1.40 3gk7B1 ARG 412 HD2 -0.39 -0.08 -0.05 -0.04 3.22 2.65 3gk7B1 ARG 412 HD3 -0.65 -0.09 0.04 -0.04 3.22 2.48 3gk7B1 ALA 413 H -0.05 0.58 -0.22 -0.55 8.40 8.17 3gk7B1 ALA 413 HA 0.02 0.01 0.37 -0.75 4.34 3.98 3gk7B1 ALA 413 HB3 -0.00 0.02 0.13 -0.04 1.41 1.52 3gk7B1 LEU 414 H 0.04 0.67 -0.17 -0.55 8.37 8.36 3gk7B1 LEU 414 HA 0.07 0.02 0.35 -0.75 4.35 4.04 3gk7B1 LEU 414 HB2 0.11 0.08 0.01 -0.04 1.64 1.80 3gk7B1 LEU 414 HB3 0.13 -0.11 -0.15 -0.04 1.64 1.47 3gk7B1 LEU 414 HG 0.07 0.15 -0.10 -0.04 1.64 1.72 3gk7B1 LEU 414 HD13 0.14 -0.03 -0.25 -0.04 0.93 0.75 3gk7B1 LEU 414 HD23 0.08 -0.02 -0.15 -0.04 0.89 0.75 3gk7B1 ILE 415 H 0.07 0.72 -0.13 -0.55 8.25 8.36 3gk7B1 ILE 415 HA 0.09 -0.07 0.39 -0.75 4.18 3.83 3gk7B1 ILE 415 HB 0.17 0.15 0.10 -0.04 1.89 2.28 3gk7B1 ILE 415 HG12 0.13 -0.12 -0.08 -0.04 1.49 1.37 3gk7B1 ILE 415 HG13 -0.04 0.15 0.00 -0.04 1.21 1.28 3gk7B1 ILE 415 HG23 -0.20 -0.03 -0.12 -0.04 0.93 0.53 3gk7B1 ILE 415 HD13 -0.08 -0.02 -0.21 -0.04 0.88 0.54 3gk7B1 ASN 416 H 0.10 0.52 -0.34 -0.55 8.53 8.26 3gk7B1 ASN 416 HA 0.05 -0.03 0.39 -0.75 4.76 4.42 3gk7B1 ASN 416 HB2 0.07 0.18 0.12 -0.04 2.88 3.21 3gk7B1 ASN 416 HB3 0.06 -0.05 0.02 -0.04 2.79 2.78 3gk7B1 ASN 416 HD21 0.11 -0.09 -0.05 -0.04 7.03 6.96 3gk7B1 ASN 416 HD22 0.07 0.00 -0.04 -0.04 7.74 7.73 3gk7B1 ILE 417 H 0.06 0.35 -0.56 -0.55 8.25 7.55 3gk7B1 ILE 417 HA 0.09 0.22 0.77 -0.75 4.18 4.51 3gk7B1 ILE 417 HB 0.09 -0.26 -0.10 -0.04 1.89 1.57 3gk7B1 ILE 417 HG12 0.06 0.20 -0.05 -0.04 1.49 1.66 3gk7B1 ILE 417 HG13 0.08 -0.04 -0.24 -0.04 1.21 0.97 3gk7B1 ILE 417 HG23 0.02 0.05 -0.54 -0.04 0.93 0.43 3gk7B1 ILE 417 HD13 0.05 -0.08 -0.26 -0.04 0.88 0.56 3gk7B1 ALA 418 H 0.04 0.41 -0.35 -0.55 8.40 7.96 3gk7B1 ALA 418 HA 0.11 -0.01 0.66 -0.75 4.34 4.35 3gk7B1 ALA 418 HB3 0.08 0.02 0.07 -0.04 1.41 1.54 3gk7B1 HIS 419 H 0.21 0.06 0.11 -0.55 8.41 8.25 3gk7B1 HIS 419 HA -0.31 0.17 0.48 -0.75 4.63 4.23 3gk7B1 HIS 419 HB2 0.21 -0.01 0.05 -0.04 3.26 3.48 3gk7B1 HIS 419 HB3 0.39 -0.07 0.06 -0.04 3.20 3.54 3gk7B1 HIS 419 HD2 0.31 -0.04 0.01 -0.04 6.97 7.19 3gk7B1 HIS 419 HE1 0.05 0.05 0.01 -0.04 7.75 7.82 3gk7B1 PRO 420 HA -0.12 0.13 0.43 -0.51 4.44 4.37 3gk7B1 PRO 420 HB2 -0.14 -0.03 0.06 -0.04 2.28 2.14 3gk7B1 PRO 420 HB3 -0.13 0.07 0.09 -0.04 2.02 2.00 3gk7B1 PRO 420 HG2 -0.35 0.03 0.09 -0.04 2.03 1.76 3gk7B1 PRO 420 HG3 -0.39 0.15 0.11 -0.04 2.03 1.87 3gk7B1 PRO 420 HD2 -1.22 0.00 0.21 -0.04 3.68 2.64 3gk7B1 PRO 420 HD3 -1.37 0.31 0.24 -0.04 3.65 2.79 3gk7B1 ASP 421 H 0.55 0.09 -0.29 -0.55 8.40 8.20 3gk7B1 ASP 421 HA -0.03 0.10 0.33 -0.75 4.63 4.28 3gk7B1 ASP 421 HB2 -0.10 -0.03 -0.02 -0.04 2.71 2.51 3gk7B1 ASP 421 HB3 -0.30 0.03 0.04 -0.04 2.70 2.43 3gk7B1 PHE 422 H 0.26 0.54 -0.41 -0.55 8.34 8.17 3gk7B1 PHE 422 HA 0.02 0.15 0.79 -0.75 4.62 4.82 3gk7B1 PHE 422 HB2 0.06 0.14 0.06 -0.04 3.15 3.36 3gk7B1 PHE 422 HB3 0.04 -0.02 0.10 -0.04 3.06 3.14 3gk7B1 PHE 422 HD2 0.03 -0.02 -0.01 -0.04 7.28 7.24 3gk7B1 PHE 422 HE2 -0.07 0.02 -0.09 -0.04 7.38 7.20 3gk7B1 PHE 422 HZ -0.04 0.13 -0.52 -0.04 7.32 6.85 3gk7B1 LYS 423 H 0.05 0.46 -0.11 -0.55 8.42 8.26 3gk7B1 LYS 423 HA 0.02 0.07 0.16 -0.75 4.32 3.81 3gk7B1 LYS 423 HB2 -0.06 0.10 0.14 -0.04 1.87 2.02 3gk7B1 LYS 423 HB3 -0.12 -0.02 -0.03 -0.04 1.79 1.58 3gk7B1 LYS 423 HG2 -0.05 0.11 -0.05 -0.04 1.46 1.43 3gk7B1 LYS 423 HG3 -0.02 0.02 -0.20 -0.04 1.46 1.22 3gk7B1 LYS 423 HD2 -0.10 -0.07 0.01 -0.04 1.69 1.49 3gk7B1 LYS 423 HD3 -0.09 -0.04 -0.05 -0.04 1.68 1.46 3gk7B1 LYS 423 HE2 -0.07 0.23 -0.04 -0.04 2.99 3.08 3gk7B1 LYS 423 HE3 -0.17 0.03 -0.22 -0.04 2.99 2.59 3gk7B1 ASP 424 H -0.03 0.18 -0.16 -0.55 8.40 7.84 3gk7B1 ASP 424 HA -0.07 0.10 0.49 -0.75 4.63 4.39 3gk7B1 ASP 424 HB2 -0.03 0.02 0.05 -0.04 2.71 2.71 3gk7B1 ASP 424 HB3 -0.03 0.03 0.01 -0.04 2.70 2.67 3gk7B1 GLU 425 H 0.03 0.15 -0.14 -0.55 8.60 8.09 3gk7B1 GLU 425 HA 0.06 0.06 0.53 -0.75 4.29 4.18 3gk7B1 GLU 425 HB2 0.13 0.10 0.18 -0.04 2.09 2.45 3gk7B1 GLU 425 HB3 0.12 0.00 0.04 -0.04 1.99 2.10 3gk7B1 GLU 425 HG2 0.04 0.01 0.07 -0.04 2.34 2.42 3gk7B1 GLU 425 HG3 0.01 -0.04 0.06 -0.04 2.34 2.32 3gk7B1 LEU 426 H 0.12 0.60 -0.12 -0.55 8.37 8.43 3gk7B1 LEU 426 HA 0.25 -0.01 0.41 -0.75 4.35 4.25 3gk7B1 LEU 426 HB2 0.11 0.12 0.07 -0.04 1.64 1.90 3gk7B1 LEU 426 HB3 0.31 -0.02 -0.03 -0.04 1.64 1.85 3gk7B1 LEU 426 HG 0.20 0.05 0.05 -0.04 1.64 1.90 3gk7B1 LEU 426 HD13 0.14 -0.01 -0.11 -0.04 0.93 0.91 3gk7B1 LEU 426 HD23 0.16 0.01 -0.05 -0.04 0.89 0.97 3gk7B1 LYS 427 H -0.03 0.53 -0.13 -0.55 8.42 8.24 3gk7B1 LYS 427 HA 0.01 0.04 0.53 -0.75 4.32 4.14 3gk7B1 LYS 427 HB2 -0.15 0.07 0.17 -0.04 1.87 1.92 3gk7B1 LYS 427 HB3 -0.18 -0.09 0.07 -0.04 1.79 1.56 3gk7B1 LYS 427 HG2 -1.52 -0.03 0.02 -0.04 1.46 -0.11 3gk7B1 LYS 427 HG3 -0.49 0.17 0.08 -0.04 1.46 1.17 3gk7B1 LYS 427 HD2 -0.33 -0.03 -0.08 -0.04 1.69 1.21 3gk7B1 LYS 427 HD3 -0.59 -0.07 -0.02 -0.04 1.68 0.97 3gk7B1 LYS 427 HE2 -1.58 0.01 -0.06 -0.04 2.99 1.31 3gk7B1 LYS 427 HE3 -0.52 0.03 -0.08 -0.04 2.99 2.38 3gk7B1 ALA 428 H 0.07 0.48 -0.18 -0.55 8.40 8.22 3gk7B1 ALA 428 HA 0.11 0.02 0.55 -0.75 4.34 4.27 3gk7B1 ALA 428 HB3 0.07 0.04 0.14 -0.04 1.41 1.61 3gk7B1 GLU 429 H 0.18 0.48 -0.11 -0.55 8.60 8.60 3gk7B1 GLU 429 HA 0.13 0.02 0.51 -0.75 4.29 4.21 3gk7B1 GLU 429 HB2 0.29 0.14 0.17 -0.04 2.09 2.65 3gk7B1 GLU 429 HB3 0.04 -0.08 0.05 -0.04 1.99 1.96 3gk7B1 GLU 429 HG2 0.11 0.22 0.09 -0.04 2.34 2.72 3gk7B1 GLU 429 HG3 0.05 -0.06 0.02 -0.04 2.34 2.31 3gk7B1 PHE 430 H 0.46 0.62 -0.10 -0.55 8.34 8.76 3gk7B1 PHE 430 HA 0.34 -0.02 0.47 -0.75 4.62 4.65 3gk7B1 PHE 430 HB2 0.03 0.03 0.10 -0.04 3.15 3.27 3gk7B1 PHE 430 HB3 0.20 0.15 0.19 -0.04 3.06 3.56 3gk7B1 PHE 430 HD2 -0.01 0.03 -0.25 -0.04 7.28 7.01 3gk7B1 PHE 430 HE2 -0.20 0.15 -0.19 -0.04 7.38 7.10 3gk7B1 PHE 430 HZ -0.35 -0.04 -0.07 -0.04 7.32 6.82 3gk7B1 GLU 431 H 0.35 0.44 -0.21 -0.55 8.60 8.64 3gk7B1 GLU 431 HA 0.30 0.20 0.37 -0.75 4.29 4.41 3gk7B1 GLU 431 HB2 0.17 0.08 0.16 -0.04 2.09 2.46 3gk7B1 GLU 431 HB3 0.16 -0.06 -0.02 -0.04 1.99 2.03 3gk7B1 GLU 431 HG2 0.30 0.10 0.07 -0.04 2.34 2.77 3gk7B1 GLU 431 HG3 0.30 0.22 0.14 -0.04 2.34 2.96 3gk7B1 LYS 432 H 0.13 0.43 -0.15 -0.55 8.42 8.27 3gk7B1 LYS 432 HA 0.06 0.03 0.48 -0.75 4.32 4.14 3gk7B1 LYS 432 HB2 0.08 0.06 0.15 -0.04 1.87 2.12 3gk7B1 LYS 432 HB3 0.06 -0.05 0.04 -0.04 1.79 1.80 3gk7B1 LYS 432 HG2 0.06 -0.05 0.03 -0.04 1.46 1.46 3gk7B1 LYS 432 HG3 0.09 0.29 0.11 -0.04 1.46 1.92 3gk7B1 LYS 432 HD2 0.06 -0.02 0.00 -0.04 1.69 1.69 3gk7B1 LYS 432 HD3 0.05 -0.04 -0.01 -0.04 1.68 1.64 3gk7B1 LYS 432 HE2 0.08 -0.02 -0.15 -0.04 2.99 2.86 3gk7B1 LYS 432 HE3 0.09 0.01 -0.01 -0.04 2.99 3.04 3gk7B1 ARG 433 H -0.02 0.54 -0.14 -0.55 8.46 8.29 3gk7B1 ARG 433 HA -0.11 0.02 0.46 -0.75 4.34 3.96 3gk7B1 ARG 433 HB2 -0.24 -0.06 0.09 -0.04 1.90 1.65 3gk7B1 ARG 433 HB3 -0.44 0.08 0.18 -0.04 1.80 1.58 3gk7B1 ARG 433 HG2 -0.73 -0.07 -0.02 -0.04 1.67 0.81 3gk7B1 ARG 433 HG3 -1.68 0.02 -0.25 -0.04 1.67 -0.28 3gk7B1 ARG 433 HD2 -0.18 0.05 0.11 -0.04 3.22 3.16 3gk7B1 ARG 433 HD3 -0.06 -0.04 0.01 -0.04 3.22 3.09 3gk7B1 PHE 434 H -0.14 0.53 -0.07 -0.55 8.34 8.11 3gk7B1 PHE 434 HA -0.12 0.16 0.74 -0.75 4.62 4.65 3gk7B1 PHE 434 HB2 -0.66 0.16 0.04 -0.04 3.15 2.65 3gk7B1 PHE 434 HB3 -0.29 -0.06 0.04 -0.04 3.06 2.71 3gk7B1 PHE 434 HD2 -0.96 0.07 0.00 -0.04 7.28 6.35 3gk7B1 PHE 434 HE2 -0.22 -0.05 -0.06 -0.04 7.38 7.01 3gk7B1 PHE 434 HZ -0.03 0.02 -0.20 -0.04 7.32 7.07 3gk7B1 ASN 435 H 0.04 0.35 -0.17 -0.55 8.53 8.20 3gk7B1 ASN 435 HA 0.06 0.09 0.33 -0.75 4.76 4.49 3gk7B1 ASN 435 HB2 0.03 0.00 -0.19 -0.04 2.88 2.69 3gk7B1 ASN 435 HB3 0.05 0.09 0.13 -0.04 2.79 3.02 3gk7B1 ASN 435 HD21 0.03 -0.06 0.05 -0.04 7.03 7.02 3gk7B1 ASN 435 HD22 0.03 0.01 0.10 -0.04 7.74 7.84 3gk7B1 ALA 436 H 0.14 0.21 -0.18 -0.55 8.40 8.02 3gk7B1 ALA 436 HA 0.10 0.08 0.68 -0.75 4.34 4.44 3gk7B1 ALA 436 HB3 0.10 0.02 -0.13 -0.04 1.41 1.37 3gk7B1 ALA 437 H 0.10 0.13 0.06 -0.55 8.40 8.15 3gk7B1 ALA 437 HA 0.17 0.00 0.47 -0.75 4.34 4.23 3gk7B1 ALA 437 HB3 0.07 0.02 0.06 -0.04 1.41 1.52 3gk7B1 PHE 438 H 0.18 0.07 0.14 -0.55 8.34 8.17 3gk7B1 PHE 438 HA -0.85 0.11 0.37 -0.75 4.62 3.50 3gk7B1 PHE 438 HB2 -0.29 0.04 0.14 -0.04 3.15 3.00 3gk7B1 PHE 438 HB3 -0.15 -0.07 0.12 -0.04 3.06 2.93 3gk7B1 PHE 438 HD2 -0.56 -0.02 -0.11 -0.04 7.28 6.55 3gk7B1 PHE 438 HE2 -0.18 0.01 -0.05 -0.04 7.38 7.12 3gk7B1 PHE 438 HZ -0.12 0.11 -0.00 -0.04 7.32 7.26 3gk7B1 SER 439 H 0.11 0.02 -0.08 -0.55 8.46 7.97 3gk7B1 SER 439 HA -0.06 0.03 0.52 -0.75 4.49 4.22 3gk7B1 SER 439 HB2 0.25 -0.03 0.07 -0.04 3.95 4.20 3gk7B1 SER 439 HB3 0.14 0.04 0.11 -0.04 3.93 4.18 3gk7B1 ALA 440 H -0.44 0.13 0.20 -0.55 8.40 7.74 3gk7B1 ALA 440 HA -0.22 0.14 0.53 -0.75 4.34 4.03 3gk7B1 ALA 440 HB3 -0.56 -0.00 0.07 -0.04 1.41 0.87 3gk7B1 TRP 441 H -0.04 -0.06 -0.13 -0.55 7.97 7.19 3gk7B1 TRP 441 HA -0.13 0.10 0.49 -0.75 4.62 4.33 3gk7B1 TRP 441 HB2 0.01 -0.03 -0.01 -0.04 3.23 3.16 3gk7B1 TRP 441 HB3 -0.20 -0.02 -0.03 -0.04 3.23 2.94 3gk7B1 TRP 441 HD1 -0.08 0.02 -0.02 -0.04 7.22 7.10 3gk7B1 TRP 441 HE1 0.02 0.03 -0.02 -0.04 10.20 10.18 3gk7B1 TRP 441 HE3 -0.01 -0.05 0.04 -0.04 7.59 7.52 3gk7B1 TRP 441 HZ2 -0.00 0.03 -0.01 -0.04 7.44 7.42 3gk7B1 TRP 441 HZ3 -0.01 0.02 0.01 -0.04 7.13 7.10 3gk7B1 TRP 441 HH2 -0.02 0.04 -0.00 -0.04 7.19 7.17 3gk7B1 SER 442 H -0.04 0.19 0.00 -0.55 8.46 8.07 3gk7B1 SER 442 HA 0.11 0.05 0.32 -0.75 4.49 4.22 3gk7B1 SER 442 HB2 0.04 0.14 -0.01 -0.04 3.95 4.09 3gk7B1 SER 442 HB3 0.01 -0.03 0.08 -0.04 3.93 3.96 3gk7B1 HIS 443 H 0.28 0.16 0.05 -0.55 8.41 8.35 3gk7B1 HIS 443 HA 0.11 0.23 0.78 -0.75 4.63 4.99 3gk7B1 HIS 443 HB2 0.29 -0.02 0.12 -0.04 3.26 3.62 3gk7B1 HIS 443 HB3 0.09 -0.03 0.05 -0.04 3.20 3.28 3gk7B1 HIS 443 HD2 0.10 0.01 -0.05 -0.04 6.97 6.99 3gk7B1 HIS 443 HE1 -0.01 0.03 -0.02 -0.04 7.75 7.71 3gk7B1 PRO 444 HA 0.06 0.17 0.27 -0.51 4.44 4.43 3gk7B1 PRO 444 HB2 0.02 0.02 -0.08 -0.04 2.28 2.20 3gk7B1 PRO 444 HB3 0.03 0.05 0.08 -0.04 2.02 2.14 3gk7B1 PRO 444 HG2 0.06 -0.01 0.07 -0.04 2.03 2.11 3gk7B1 PRO 444 HG3 0.04 0.07 0.08 -0.04 2.03 2.18 3gk7B1 PRO 444 HD2 0.13 0.04 0.29 -0.04 3.68 4.10 3gk7B1 PRO 444 HD3 0.06 0.26 0.21 -0.04 3.65 4.14 3gk7B1 GLN 445 H 0.03 0.01 -0.52 -0.55 8.47 7.44 3gk7B1 GLN 445 HA -0.17 0.04 0.34 -0.75 4.36 3.81 3gk7B1 GLN 445 HB2 -0.17 -0.02 0.04 -0.04 2.15 1.95 3gk7B1 GLN 445 HB3 -0.38 -0.01 -0.04 -0.04 2.02 1.55 3gk7B1 GLN 445 HG2 -0.86 0.01 -0.08 -0.04 2.40 1.43 3gk7B1 GLN 445 HG3 -0.30 -0.00 0.05 -0.04 2.39 2.09 3gk7B1 GLN 445 HE21 -0.13 -0.00 -0.01 -0.04 6.97 6.78 3gk7B1 GLN 445 HE22 -0.23 0.00 -0.01 -0.04 7.69 7.41 3gk7B1 PHE 446 H 0.12 0.67 -0.28 -0.55 8.34 8.30 3gk7B1 PHE 446 HA 0.03 0.06 0.87 -0.75 4.62 4.82 3gk7B1 PHE 446 HB2 0.07 0.03 0.15 -0.04 3.15 3.35 3gk7B1 PHE 446 HB3 0.04 -0.03 0.03 -0.04 3.06 3.06 3gk7B1 PHE 446 HD2 0.05 -0.01 -0.00 -0.04 7.28 7.28 3gk7B1 PHE 446 HE2 -0.04 -0.01 -0.04 -0.04 7.38 7.24 3gk7B1 PHE 446 HZ -0.04 -0.00 -0.04 -0.04 7.32 7.19 3gk7B1 GLU 447 H 0.08 0.13 -0.02 -0.55 8.60 8.23 3gk7B1 GLU 447 HA 0.05 0.14 0.00 -0.75 4.29 3.73