============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. HIS 1 0.900 -9.461 19.371 13.070 -99.200 -91.000 HIS 2 0.900 -6.413 22.707 20.386 -99.200 -91.000 TYR 6 0.840 -4.383 17.479 11.201 -99.200 -91.000 HIS 9 0.900 -2.466 14.698 18.140 -99.200 -91.000 PHE 14 1.000 9.562 13.957 9.423 -99.200 -91.000 PHE 19 1.000 14.292 6.766 19.075 -99.200 -91.000 PHE 33 1.000 15.490 12.101 16.646 -99.200 -91.000 TYR 36 0.840 8.270 21.240 18.549 -99.200 -91.000 PHE 63 1.000 2.979 19.353 8.961 -99.200 -91.000 HIS 76 0.900 -3.642 30.315 18.153 -99.200 -91.000 TYR 78 0.840 5.768 27.888 16.779 -99.200 -91.000 TRP 85 1.040 -0.975 26.860 29.887 -99.200 -91.000 TRP6 85 1.020 -0.626 28.832 28.635 -99.200 -91.000 PHE 97 1.000 21.824 31.748 12.806 -99.200 -91.000 PHE 108 1.000 12.595 32.319 2.936 -99.200 -91.000 HIS 111 0.900 5.139 32.063 3.110 -99.200 -91.000 PHE 112 1.000 12.155 31.611 9.118 -99.200 -91.000 PHE 113 1.000 7.930 38.068 12.745 -99.200 -91.000 PHE 116 1.000 8.780 27.903 10.214 -99.200 -91.000 PHE 125 1.000 26.896 30.762 6.555 -99.200 -91.000 PHE 133 1.000 31.114 34.017 19.063 -99.200 -91.000 TRP 138 1.040 19.978 32.538 17.883 -99.200 -91.000 TRP6 138 1.020 18.667 30.573 17.737 -99.200 -91.000 HIS 142 0.900 18.136 32.087 21.457 -99.200 -91.000 TYR 169 0.840 16.360 24.938 29.397 -99.200 -91.000 PHE 170 1.000 10.956 18.927 30.252 -99.200 -91.000 TRP 174 1.040 11.595 13.457 38.741 -99.200 -91.000 TRP6 174 1.020 11.048 12.645 36.594 -99.200 -91.000 PHE 178 1.000 12.381 8.735 40.962 -99.200 -91.000 HIS 184 0.900 20.546 1.217 47.068 -99.200 -91.000 PHE 188 1.000 21.350 -0.700 32.257 -99.200 -91.000 HIS 189 0.900 21.937 -7.565 35.165 -99.200 -91.000 PHE 207 1.000 5.588 5.438 40.361 -99.200 -91.000 TYR 209 0.840 2.284 -1.520 34.930 -99.200 -91.000 PHE 212 1.000 -0.403 -0.937 25.226 -99.200 -91.000 HIS 218 0.900 8.972 -11.893 22.992 -99.200 -91.000 TYR 219 0.840 4.288 -11.651 28.975 -99.200 -91.000 TYR 220 0.840 5.479 -2.857 25.169 -99.200 -91.000 TYR 227 0.840 8.962 15.738 33.702 -99.200 -91.000 HIS 228 0.900 6.523 21.725 38.775 -99.200 -91.000 PHE 235 1.000 3.631 8.682 28.716 -99.200 -91.000 TYR 240 0.840 7.737 -9.715 33.885 -99.200 -91.000 HIS 260 0.900 -3.741 3.198 20.237 -99.200 -91.000 TRP 261 1.040 2.720 2.336 24.971 -99.200 -91.000 TRP6 261 1.020 4.927 3.160 24.753 -99.200 -91.000 PHE 277 1.000 18.234 8.595 31.743 -99.200 -91.000 PHE 298 1.000 20.111 14.652 2.854 -99.200 -91.000 PHE 301 1.000 25.822 18.421 -10.450 -99.200 -91.000 PHE 305 1.000 17.725 23.750 -0.440 -99.200 -91.000 HIS 315 0.900 25.096 20.047 -1.859 -99.200 -91.000 PHE 343 1.000 15.816 3.210 31.182 -99.200 -91.000 PHE 345 1.000 14.968 9.273 27.351 -99.200 -91.000 HIS 349 0.900 2.002 20.461 26.195 -99.200 -91.000 PHE 357 1.000 14.036 17.219 24.666 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1a7cA1 HIS 2 HA 0.05 -0.09 0.19 -0.75 4.63 4.02 1a7cA1 HIS 2 HB2 -0.01 -0.00 0.04 -0.04 3.26 3.25 1a7cA1 HIS 2 HB3 -0.02 -0.02 0.06 -0.04 3.20 3.19 1a7cA1 HIS 2 HD2 -0.08 -0.02 -0.21 -0.04 6.97 6.61 1a7cA1 HIS 2 HE1 -0.44 0.02 -0.04 -0.04 7.75 7.25 1a7cA1 HIS 3 H -0.15 0.14 0.03 -0.55 8.41 7.88 1a7cA1 HIS 3 HA -0.03 0.24 0.88 -0.75 4.63 4.96 1a7cA1 HIS 3 HB2 -0.03 0.09 0.00 -0.04 3.26 3.29 1a7cA1 HIS 3 HB3 -0.06 -0.05 0.21 -0.04 3.20 3.25 1a7cA1 HIS 3 HD2 -0.01 0.06 0.06 -0.04 6.97 7.04 1a7cA1 HIS 3 HE1 0.02 0.03 -0.05 -0.04 7.75 7.71 1a7cA1 PRO 4 HA -0.06 0.01 0.40 -0.51 4.44 4.27 1a7cA1 PRO 4 HB2 -0.10 0.04 0.09 -0.04 2.28 2.28 1a7cA1 PRO 4 HB3 -0.04 0.03 0.07 -0.04 2.02 2.04 1a7cA1 PRO 4 HG2 0.02 0.05 0.06 -0.04 2.03 2.11 1a7cA1 PRO 4 HG3 0.12 0.03 0.01 -0.04 2.03 2.15 1a7cA1 PRO 4 HD2 -0.04 0.11 0.20 -0.04 3.68 3.90 1a7cA1 PRO 4 HD3 0.09 0.39 -0.04 -0.04 3.65 4.06 1a7cA1 PRO 5 HA -0.17 0.12 0.46 -0.51 4.44 4.34 1a7cA1 PRO 5 HB2 -0.28 0.04 -0.03 -0.04 2.28 1.97 1a7cA1 PRO 5 HB3 -0.11 0.05 -0.01 -0.04 2.02 1.91 1a7cA1 PRO 5 HG2 -0.23 0.07 -0.00 -0.04 2.03 1.82 1a7cA1 PRO 5 HG3 -0.11 0.08 0.09 -0.04 2.03 2.06 1a7cA1 PRO 5 HD2 -1.30 0.07 -0.10 -0.04 3.68 2.31 1a7cA1 PRO 5 HD3 -0.29 0.11 0.10 -0.04 3.65 3.53 1a7cA1 SER 6 H -0.26 0.25 -0.21 -0.55 8.46 7.69 1a7cA1 SER 6 HA -0.20 0.12 0.55 -0.75 4.49 4.21 1a7cA1 SER 6 HB2 0.05 0.07 0.18 -0.04 3.95 4.21 1a7cA1 SER 6 HB3 -0.15 0.04 0.04 -0.04 3.93 3.83 1a7cA1 TYR 7 H -0.09 0.40 -0.06 -0.55 8.29 8.00 1a7cA1 TYR 7 HA -0.11 0.04 0.41 -0.75 4.56 4.15 1a7cA1 TYR 7 HB2 -0.27 -0.02 0.03 -0.04 3.06 2.76 1a7cA1 TYR 7 HB3 -0.16 0.09 0.13 -0.04 2.98 3.00 1a7cA1 TYR 7 HD2 -0.03 0.01 -0.08 -0.04 7.15 7.01 1a7cA1 TYR 7 HE2 0.02 -0.00 -0.04 -0.04 6.85 6.79 1a7cA1 VAL 8 H -0.11 0.53 -0.16 -0.55 8.24 7.95 1a7cA1 VAL 8 HA -0.52 0.03 0.41 -0.75 4.13 3.31 1a7cA1 VAL 8 HB -0.19 0.13 0.06 -0.04 2.12 2.09 1a7cA1 VAL 8 HG13 -0.36 -0.02 -0.12 -0.04 0.97 0.44 1a7cA1 VAL 8 HG23 -0.19 0.02 -0.02 -0.04 0.95 0.72 1a7cA1 ALA 9 H -0.22 0.40 -0.29 -0.55 8.40 7.75 1a7cA1 ALA 9 HA -0.01 -0.05 0.33 -0.75 4.34 3.85 1a7cA1 ALA 9 HB3 -0.12 0.06 0.02 -0.04 1.41 1.34 1a7cA1 HIS 10 H -0.34 0.55 -0.20 -0.55 8.41 7.88 1a7cA1 HIS 10 HA -0.04 0.06 0.44 -0.75 4.63 4.34 1a7cA1 HIS 10 HB2 -0.15 0.10 0.14 -0.04 3.26 3.31 1a7cA1 HIS 10 HB3 -0.08 -0.11 0.02 -0.04 3.20 2.99 1a7cA1 HIS 10 HD2 -0.01 0.00 0.01 -0.04 6.97 6.92 1a7cA1 HIS 10 HE1 0.02 -0.07 -0.08 -0.04 7.75 7.58 1a7cA1 LEU 11 H -0.22 0.46 -0.14 -0.55 8.37 7.92 1a7cA1 LEU 11 HA -0.01 0.02 0.47 -0.75 4.35 4.08 1a7cA1 LEU 11 HB2 -0.41 0.04 0.15 -0.04 1.64 1.38 1a7cA1 LEU 11 HB3 0.11 0.13 0.01 -0.04 1.64 1.85 1a7cA1 LEU 11 HG -0.61 0.08 0.07 -0.04 1.64 1.14 1a7cA1 LEU 11 HD13 -0.42 -0.01 -0.09 -0.04 0.93 0.36 1a7cA1 LEU 11 HD23 -0.06 -0.00 0.03 -0.04 0.89 0.82 1a7cA1 ALA 12 H -0.03 0.61 -0.11 -0.55 8.40 8.33 1a7cA1 ALA 12 HA 0.28 0.03 0.38 -0.75 4.34 4.27 1a7cA1 ALA 12 HB3 0.13 0.01 0.06 -0.04 1.41 1.58 1a7cA1 SER 13 H 0.10 0.64 -0.17 -0.55 8.46 8.48 1a7cA1 SER 13 HA 0.11 -0.05 0.38 -0.75 4.49 4.17 1a7cA1 SER 13 HB2 0.07 0.16 0.21 -0.04 3.95 4.35 1a7cA1 SER 13 HB3 0.04 -0.11 0.10 -0.04 3.93 3.91 1a7cA1 ASP 14 H 0.08 0.66 -0.15 -0.55 8.40 8.45 1a7cA1 ASP 14 HA 0.01 -0.21 0.47 -0.75 4.63 4.16 1a7cA1 ASP 14 HB2 0.02 0.07 0.19 -0.04 2.71 2.94 1a7cA1 ASP 14 HB3 0.09 0.22 0.22 -0.04 2.70 3.18 1a7cA1 PHE 15 H 0.26 0.62 -0.09 -0.55 8.34 8.58 1a7cA1 PHE 15 HA 0.04 0.07 0.45 -0.75 4.62 4.43 1a7cA1 PHE 15 HB2 0.06 0.16 0.17 -0.04 3.15 3.50 1a7cA1 PHE 15 HB3 0.08 0.10 0.20 -0.04 3.06 3.40 1a7cA1 PHE 15 HD2 0.04 0.11 -0.08 -0.04 7.28 7.30 1a7cA1 PHE 15 HE2 0.02 0.00 -0.15 -0.04 7.38 7.21 1a7cA1 PHE 15 HZ 0.03 -0.05 -0.08 -0.04 7.32 7.17 1a7cA1 GLY 16 H 0.18 0.65 -0.07 -0.55 8.43 8.65 1a7cA1 GLY 16 HA2 -0.06 -0.02 0.44 -0.51 4.01 3.85 1a7cA1 GLY 16 HA3 0.10 0.04 0.36 -0.51 4.01 4.00 1a7cA1 VAL 17 H 0.04 0.69 -0.15 -0.55 8.24 8.27 1a7cA1 VAL 17 HA 0.08 -0.02 0.47 -0.75 4.13 3.91 1a7cA1 VAL 17 HB -0.01 0.09 0.09 -0.04 2.12 2.25 1a7cA1 VAL 17 HG13 -0.01 -0.02 -0.29 -0.04 0.97 0.61 1a7cA1 VAL 17 HG23 -0.03 0.03 -0.05 -0.04 0.95 0.86 1a7cA1 ARG 18 H -0.04 0.50 -0.20 -0.55 8.46 8.17 1a7cA1 ARG 18 HA -0.04 0.06 0.46 -0.75 4.34 4.07 1a7cA1 ARG 18 HB2 -0.06 0.17 0.22 -0.04 1.90 2.19 1a7cA1 ARG 18 HB3 -0.05 -0.03 0.01 -0.04 1.80 1.70 1a7cA1 ARG 18 HG2 -0.01 -0.02 0.06 -0.04 1.67 1.66 1a7cA1 ARG 18 HG3 0.00 0.03 0.09 -0.04 1.67 1.75 1a7cA1 ARG 18 HD2 0.04 0.00 0.03 -0.04 3.22 3.25 1a7cA1 ARG 18 HD3 0.03 -0.05 0.02 -0.04 3.22 3.17 1a7cA1 VAL 19 H -0.21 0.42 -0.26 -0.55 8.24 7.64 1a7cA1 VAL 19 HA -0.18 0.07 0.41 -0.75 4.13 3.67 1a7cA1 VAL 19 HB -0.04 0.12 0.11 -0.04 2.12 2.27 1a7cA1 VAL 19 HG13 -0.02 -0.04 -0.13 -0.04 0.97 0.74 1a7cA1 VAL 19 HG23 -0.67 0.10 -0.03 -0.04 0.95 0.32 1a7cA1 PHE 20 H -0.06 0.48 -0.19 -0.55 8.34 8.02 1a7cA1 PHE 20 HA -0.92 -0.04 0.29 -0.75 4.62 3.19 1a7cA1 PHE 20 HB2 -0.32 -0.03 -0.01 -0.04 3.15 2.75 1a7cA1 PHE 20 HB3 -0.17 0.17 0.10 -0.04 3.06 3.11 1a7cA1 PHE 20 HD2 -0.26 0.03 -0.18 -0.04 7.28 6.82 1a7cA1 PHE 20 HE2 -0.08 0.01 -0.18 -0.04 7.38 7.09 1a7cA1 PHE 20 HZ -0.10 -0.01 -0.21 -0.04 7.32 6.96 1a7cA1 GLN 21 H -0.07 0.57 -0.28 -0.55 8.47 8.13 1a7cA1 GLN 21 HA -0.28 -0.01 0.36 -0.75 4.36 3.68 1a7cA1 GLN 21 HB2 -0.03 0.12 0.13 -0.04 2.15 2.32 1a7cA1 GLN 21 HB3 -0.10 0.13 0.08 -0.04 2.02 2.09 1a7cA1 GLN 21 HG2 -0.08 -0.09 -0.08 -0.04 2.40 2.11 1a7cA1 GLN 21 HG3 -0.07 0.15 0.09 -0.04 2.39 2.52 1a7cA1 GLN 21 HE21 -0.01 0.04 -0.20 -0.04 6.97 6.75 1a7cA1 GLN 21 HE22 -0.02 -0.02 0.04 -0.04 7.69 7.65 1a7cA1 GLN 22 H -0.20 0.40 -0.35 -0.55 8.47 7.78 1a7cA1 GLN 22 HA -0.14 0.03 0.37 -0.75 4.36 3.87 1a7cA1 GLN 22 HB2 -0.16 0.16 0.16 -0.04 2.15 2.27 1a7cA1 GLN 22 HB3 -0.11 -0.12 0.01 -0.04 2.02 1.76 1a7cA1 GLN 22 HG2 -0.10 0.25 0.09 -0.04 2.40 2.60 1a7cA1 GLN 22 HG3 -0.07 0.07 0.05 -0.04 2.39 2.40 1a7cA1 GLN 22 HE21 -0.04 -0.03 -0.05 -0.04 6.97 6.81 1a7cA1 GLN 22 HE22 -0.06 0.07 -0.04 -0.04 7.69 7.62 1a7cA1 VAL 23 H -0.36 0.46 -0.16 -0.55 8.24 7.62 1a7cA1 VAL 23 HA -0.20 -0.01 0.42 -0.75 4.13 3.59 1a7cA1 VAL 23 HB -0.58 0.12 0.12 -0.04 2.12 1.74 1a7cA1 VAL 23 HG13 -0.16 -0.02 -0.13 -0.04 0.97 0.62 1a7cA1 VAL 23 HG23 -0.30 0.06 -0.03 -0.04 0.95 0.64 1a7cA1 ALA 24 H -0.67 0.76 -0.10 -0.55 8.40 7.84 1a7cA1 ALA 24 HA -0.34 0.04 0.27 -0.75 4.34 3.55 1a7cA1 ALA 24 HB3 -0.64 0.01 -0.02 -0.04 1.41 0.72 1a7cA1 GLN 25 H -0.23 0.55 -0.24 -0.55 8.47 8.00 1a7cA1 GLN 25 HA -0.11 -0.02 0.32 -0.75 4.36 3.80 1a7cA1 GLN 25 HB2 -0.12 0.11 0.08 -0.04 2.15 2.18 1a7cA1 GLN 25 HB3 -0.08 -0.08 0.02 -0.04 2.02 1.84 1a7cA1 GLN 25 HG2 -0.08 -0.09 -0.02 -0.04 2.40 2.16 1a7cA1 GLN 25 HG3 -0.14 0.12 0.02 -0.04 2.39 2.35 1a7cA1 GLN 25 HE21 -0.05 -0.01 -0.04 -0.04 6.97 6.82 1a7cA1 GLN 25 HE22 -0.06 -0.01 -0.07 -0.04 7.69 7.51 1a7cA1 ALA 26 H -0.14 0.33 -0.50 -0.55 8.40 7.54 1a7cA1 ALA 26 HA -0.07 0.00 0.47 -0.75 4.34 3.99 1a7cA1 ALA 26 HB3 -0.09 0.02 0.12 -0.04 1.41 1.42 1a7cA1 SER 27 H -0.11 0.52 -0.06 -0.55 8.46 8.27 1a7cA1 SER 27 HA -0.05 0.09 0.83 -0.75 4.49 4.60 1a7cA1 SER 27 HB2 -0.04 -0.11 0.15 -0.04 3.95 3.92 1a7cA1 SER 27 HB3 -0.04 -0.03 0.05 -0.04 3.93 3.87 1a7cA1 LYS 28 H -0.05 0.28 -0.26 -0.55 8.42 7.83 1a7cA1 LYS 28 HA -0.07 0.24 0.31 -0.75 4.32 4.05 1a7cA1 LYS 28 HB2 -0.04 -0.01 0.07 -0.04 1.87 1.85 1a7cA1 LYS 28 HB3 -0.03 -0.09 0.01 -0.04 1.79 1.63 1a7cA1 LYS 28 HG2 -0.06 -0.05 -0.02 -0.04 1.46 1.29 1a7cA1 LYS 28 HG3 -0.07 0.29 0.03 -0.04 1.46 1.68 1a7cA1 LYS 28 HD2 -0.04 0.01 0.03 -0.04 1.69 1.66 1a7cA1 LYS 28 HD3 -0.03 -0.10 0.01 -0.04 1.68 1.51 1a7cA1 LYS 28 HE2 -0.05 -0.06 -0.02 -0.04 2.99 2.82 1a7cA1 LYS 28 HE3 -0.05 0.10 0.06 -0.04 2.99 3.05 1a7cA1 ASP 29 H -0.03 0.04 -0.30 -0.55 8.40 7.57 1a7cA1 ASP 29 HA -0.01 0.24 0.99 -0.75 4.63 5.11 1a7cA1 ASP 29 HB2 0.00 -0.05 0.18 -0.04 2.71 2.80 1a7cA1 ASP 29 HB3 -0.01 0.02 -0.06 -0.04 2.70 2.62 1a7cA1 ARG 30 H -0.02 0.44 -0.11 -0.55 8.46 8.22 1a7cA1 ARG 30 HA -0.01 0.11 0.88 -0.75 4.34 4.58 1a7cA1 ARG 30 HB2 -0.02 -0.00 0.09 -0.04 1.90 1.92 1a7cA1 ARG 30 HB3 -0.00 0.17 0.01 -0.04 1.80 1.94 1a7cA1 ARG 30 HG2 -0.00 0.00 0.04 -0.04 1.67 1.67 1a7cA1 ARG 30 HG3 -0.00 -0.01 0.09 -0.04 1.67 1.71 1a7cA1 ARG 30 HD2 -0.01 0.00 -0.04 -0.04 3.22 3.14 1a7cA1 ARG 30 HD3 -0.01 0.07 -0.28 -0.04 3.22 2.96 1a7cA1 ASN 31 H -0.01 0.09 0.17 -0.55 8.53 8.24 1a7cA1 ASN 31 HA -0.02 0.09 0.57 -0.75 4.76 4.64 1a7cA1 ASN 31 HB2 0.01 -0.01 0.17 -0.04 2.88 3.01 1a7cA1 ASN 31 HB3 0.01 0.02 -0.01 -0.04 2.79 2.77 1a7cA1 ASN 31 HD21 -0.07 0.50 0.19 -0.04 7.03 7.62 1a7cA1 ASN 31 HD22 -0.02 -0.02 0.11 -0.04 7.74 7.77 1a7cA1 VAL 32 H 0.05 0.49 0.28 -0.55 8.24 8.51 1a7cA1 VAL 32 HA 0.10 0.13 0.75 -0.75 4.13 4.36 1a7cA1 VAL 32 HB 0.14 -0.10 0.11 -0.04 2.12 2.23 1a7cA1 VAL 32 HG13 0.15 -0.02 -0.22 -0.04 0.97 0.84 1a7cA1 VAL 32 HG23 -0.02 0.08 -0.26 -0.04 0.95 0.71 1a7cA1 VAL 33 H 0.18 0.21 0.06 -0.55 8.24 8.15 1a7cA1 VAL 33 HA 0.23 0.20 0.84 -0.75 4.13 4.65 1a7cA1 VAL 33 HB 0.29 -0.00 -0.14 -0.04 2.12 2.23 1a7cA1 VAL 33 HG13 0.17 -0.00 -0.18 -0.04 0.97 0.92 1a7cA1 VAL 33 HG23 0.35 0.01 -0.23 -0.04 0.95 1.04 1a7cA1 PHE 34 H 0.26 0.70 0.33 -0.55 8.34 9.08 1a7cA1 PHE 34 HA 0.16 0.10 0.76 -0.75 4.62 4.88 1a7cA1 PHE 34 HB2 0.27 0.01 -0.39 -0.04 3.15 3.00 1a7cA1 PHE 34 HB3 0.08 0.06 -0.11 -0.04 3.06 3.06 1a7cA1 PHE 34 HD2 0.08 0.02 -0.19 -0.04 7.28 7.15 1a7cA1 PHE 34 HE2 0.04 0.07 -0.11 -0.04 7.38 7.33 1a7cA1 PHE 34 HZ -0.01 -0.00 -0.11 -0.04 7.32 7.16 1a7cA1 SER 35 H -0.98 0.16 0.04 -0.55 8.46 7.13 1a7cA1 SER 35 HA -0.21 0.36 1.08 -0.75 4.49 4.96 1a7cA1 SER 35 HB2 -0.15 0.09 0.05 -0.04 3.95 3.89 1a7cA1 SER 35 HB3 -0.25 -0.07 0.19 -0.04 3.93 3.76 1a7cA1 PRO 36 HA 0.12 0.06 0.45 -0.51 4.44 4.56 1a7cA1 PRO 36 HB2 0.04 0.30 0.07 -0.04 2.28 2.65 1a7cA1 PRO 36 HB3 0.10 -0.05 -0.08 -0.04 2.02 1.95 1a7cA1 PRO 36 HG2 0.02 0.05 -0.21 -0.04 2.03 1.85 1a7cA1 PRO 36 HG3 0.25 0.06 -0.25 -0.04 2.03 2.04 1a7cA1 PRO 36 HD2 -0.06 0.15 -0.39 -0.04 3.68 3.34 1a7cA1 PRO 36 HD3 0.08 0.13 -0.42 -0.04 3.65 3.40 1a7cA1 TYR 37 H 0.01 0.38 -0.02 -0.55 8.29 8.11 1a7cA1 TYR 37 HA 0.01 0.07 0.35 -0.75 4.56 4.23 1a7cA1 TYR 37 HB2 -0.08 0.08 -0.04 -0.04 3.06 2.98 1a7cA1 TYR 37 HB3 -0.19 0.02 0.07 -0.04 2.98 2.84 1a7cA1 TYR 37 HD2 -0.04 -0.00 -0.14 -0.04 7.15 6.92 1a7cA1 TYR 37 HE2 0.03 0.02 -0.11 -0.04 6.85 6.76 1a7cA1 GLY 38 H -0.12 0.13 -0.29 -0.55 8.43 7.60 1a7cA1 GLY 38 HA2 -0.12 0.05 0.36 -0.51 4.01 3.79 1a7cA1 GLY 38 HA3 -0.12 0.08 0.29 -0.51 4.01 3.75 1a7cA1 VAL 39 H -0.17 0.52 -0.09 -0.55 8.24 7.95 1a7cA1 VAL 39 HA 0.01 0.02 0.43 -0.75 4.13 3.83 1a7cA1 VAL 39 HB -0.07 -0.01 0.07 -0.04 2.12 2.07 1a7cA1 VAL 39 HG13 0.10 0.05 0.01 -0.04 0.97 1.09 1a7cA1 VAL 39 HG23 0.16 -0.01 -0.05 -0.04 0.95 1.01 1a7cA1 ALA 40 H 0.02 0.43 -0.29 -0.55 8.40 8.01 1a7cA1 ALA 40 HA 0.29 0.04 0.41 -0.75 4.34 4.33 1a7cA1 ALA 40 HB3 0.15 0.05 0.11 -0.04 1.41 1.67 1a7cA1 SER 41 H -0.20 0.51 -0.22 -0.55 8.46 8.00 1a7cA1 SER 41 HA -0.04 0.04 0.37 -0.75 4.49 4.10 1a7cA1 SER 41 HB2 -0.16 0.09 0.10 -0.04 3.95 3.93 1a7cA1 SER 41 HB3 -0.11 -0.04 -0.03 -0.04 3.93 3.70 1a7cA1 VAL 42 H -0.04 0.48 -0.17 -0.55 8.24 7.96 1a7cA1 VAL 42 HA -0.06 0.02 0.38 -0.75 4.13 3.72 1a7cA1 VAL 42 HB 0.02 0.10 0.12 -0.04 2.12 2.31 1a7cA1 VAL 42 HG13 0.01 -0.02 -0.12 -0.04 0.97 0.80 1a7cA1 VAL 42 HG23 -0.00 0.04 -0.03 -0.04 0.95 0.92 1a7cA1 LEU 43 H 0.04 0.58 -0.19 -0.55 8.37 8.25 1a7cA1 LEU 43 HA -0.02 -0.02 0.43 -0.75 4.35 3.99 1a7cA1 LEU 43 HB2 0.09 0.18 0.13 -0.04 1.64 1.99 1a7cA1 LEU 43 HB3 -0.15 -0.02 -0.02 -0.04 1.64 1.41 1a7cA1 LEU 43 HG 0.41 0.04 -0.04 -0.04 1.64 2.01 1a7cA1 LEU 43 HD13 0.03 -0.02 -0.01 -0.04 0.93 0.88 1a7cA1 LEU 43 HD23 0.13 0.04 -0.06 -0.04 0.89 0.97 1a7cA1 ALA 44 H -0.01 0.45 -0.38 -0.55 8.40 7.92 1a7cA1 ALA 44 HA -0.06 0.01 0.41 -0.75 4.34 3.94 1a7cA1 ALA 44 HB3 0.20 0.06 0.07 -0.04 1.41 1.70 1a7cA1 MET 45 H -0.12 0.46 -0.20 -0.55 8.47 8.06 1a7cA1 MET 45 HA -0.28 0.04 0.43 -0.75 4.52 3.96 1a7cA1 MET 45 HB2 -0.17 0.15 0.10 -0.04 2.15 2.19 1a7cA1 MET 45 HB3 -0.12 -0.08 -0.03 -0.04 2.03 1.76 1a7cA1 MET 45 HG2 -1.96 -0.03 -0.03 -0.04 2.63 0.57 1a7cA1 MET 45 HG3 -0.64 0.24 0.04 -0.04 2.56 2.15 1a7cA1 MET 45 HE3 -0.10 0.05 -0.16 -0.04 2.10 1.85 1a7cA1 LEU 46 H -0.05 0.42 -0.31 -0.55 8.37 7.88 1a7cA1 LEU 46 HA -0.01 -0.02 0.35 -0.75 4.35 3.91 1a7cA1 LEU 46 HB2 -0.04 0.17 0.15 -0.04 1.64 1.88 1a7cA1 LEU 46 HB3 -0.09 0.10 0.01 -0.04 1.64 1.62 1a7cA1 LEU 46 HG -0.12 -0.05 -0.05 -0.04 1.64 1.38 1a7cA1 LEU 46 HD13 0.07 -0.02 -0.03 -0.04 0.93 0.91 1a7cA1 LEU 46 HD23 -0.03 0.00 -0.07 -0.04 0.89 0.75 1a7cA1 GLN 47 H -0.06 0.41 -0.44 -0.55 8.47 7.84 1a7cA1 GLN 47 HA -0.11 -0.03 0.40 -0.75 4.36 3.87 1a7cA1 GLN 47 HB2 -0.05 0.34 0.18 -0.04 2.15 2.59 1a7cA1 GLN 47 HB3 -0.07 -0.14 -0.02 -0.04 2.02 1.75 1a7cA1 GLN 47 HG2 -0.17 -0.06 0.03 -0.04 2.40 2.16 1a7cA1 GLN 47 HG3 -0.19 0.20 0.03 -0.04 2.39 2.39 1a7cA1 GLN 47 HE21 -0.70 0.29 0.04 -0.04 6.97 6.56 1a7cA1 GLN 47 HE22 -0.47 0.02 -0.12 -0.04 7.69 7.08 1a7cA1 LEU 48 H 0.04 0.33 -0.31 -0.55 8.37 7.89 1a7cA1 LEU 48 HA -0.00 0.04 0.45 -0.75 4.35 4.08 1a7cA1 LEU 48 HB2 0.13 0.01 0.08 -0.04 1.64 1.82 1a7cA1 LEU 48 HB3 0.19 0.10 0.02 -0.04 1.64 1.90 1a7cA1 LEU 48 HG -0.14 0.01 -0.04 -0.04 1.64 1.43 1a7cA1 LEU 48 HD13 -0.51 -0.01 -0.05 -0.04 0.93 0.32 1a7cA1 LEU 48 HD23 -0.02 -0.01 -0.12 -0.04 0.89 0.69 1a7cA1 THR 49 H 0.05 0.27 -0.33 -0.55 8.28 7.73 1a7cA1 THR 49 HA 0.17 0.15 0.57 -0.75 4.39 4.52 1a7cA1 THR 49 HB 0.12 -0.09 0.05 -0.04 4.32 4.35 1a7cA1 THR 49 HG23 0.18 0.05 -0.09 -0.04 1.22 1.32 1a7cA1 THR 50 H -0.13 0.34 -0.21 -0.55 8.28 7.73 1a7cA1 THR 50 HA -0.40 0.12 1.08 -0.75 4.39 4.43 1a7cA1 THR 50 HB -0.36 -0.13 0.16 -0.04 4.32 3.95 1a7cA1 THR 50 HG23 -0.96 -0.00 -0.07 -0.04 1.22 0.15 1a7cA1 GLY 51 H -0.17 0.47 0.27 -0.55 8.43 8.45 1a7cA1 GLY 51 HA2 -0.06 0.26 0.64 -0.51 4.01 4.35 1a7cA1 GLY 51 HA3 -0.04 -0.00 0.28 -0.51 4.01 3.73 1a7cA1 GLY 52 H -0.03 0.20 0.13 -0.55 8.43 8.19 1a7cA1 GLY 52 HA2 -0.02 0.12 0.36 -0.51 4.01 3.97 1a7cA1 GLY 52 HA3 -0.02 0.03 0.40 -0.51 4.01 3.91 1a7cA1 GLU 53 H -0.02 0.20 0.24 -0.55 8.60 8.47 1a7cA1 GLU 53 HA -0.02 0.10 0.46 -0.75 4.29 4.07 1a7cA1 GLU 53 HB2 -0.01 0.03 0.17 -0.04 2.09 2.24 1a7cA1 GLU 53 HB3 -0.01 0.05 0.14 -0.04 1.99 2.12 1a7cA1 GLU 53 HG2 -0.01 -0.03 0.00 -0.04 2.34 2.26 1a7cA1 GLU 53 HG3 -0.01 0.02 0.09 -0.04 2.34 2.41 1a7cA1 THR 54 H -0.05 0.20 0.02 -0.55 8.28 7.89 1a7cA1 THR 54 HA -0.07 -0.03 0.44 -0.75 4.39 3.97 1a7cA1 THR 54 HB -0.17 0.22 0.29 -0.04 4.32 4.62 1a7cA1 THR 54 HG23 -0.26 -0.01 -0.08 -0.04 1.22 0.83 1a7cA1 GLN 55 H -0.11 0.44 -0.28 -0.55 8.47 7.98 1a7cA1 GLN 55 HA -0.14 0.08 0.38 -0.75 4.36 3.93 1a7cA1 GLN 55 HB2 -0.11 -0.02 -0.48 -0.04 2.15 1.50 1a7cA1 GLN 55 HB3 -0.07 0.04 -0.20 -0.04 2.02 1.75 1a7cA1 GLN 55 HG2 -0.08 -0.09 -0.22 -0.04 2.40 1.98 1a7cA1 GLN 55 HG3 -0.09 0.09 0.05 -0.04 2.39 2.39 1a7cA1 GLN 55 HE21 -0.02 -0.09 0.03 -0.04 6.97 6.84 1a7cA1 GLN 55 HE22 -0.05 0.41 0.09 -0.04 7.69 8.10 1a7cA1 GLN 56 H -0.06 0.35 -0.33 -0.55 8.47 7.89 1a7cA1 GLN 56 HA -0.05 0.02 0.33 -0.75 4.36 3.90 1a7cA1 GLN 56 HB2 -0.03 0.11 0.09 -0.04 2.15 2.27 1a7cA1 GLN 56 HB3 -0.03 0.09 0.09 -0.04 2.02 2.13 1a7cA1 GLN 56 HG2 -0.02 0.02 -0.06 -0.04 2.40 2.30 1a7cA1 GLN 56 HG3 -0.02 -0.02 0.01 -0.04 2.39 2.32 1a7cA1 GLN 56 HE21 -0.01 -0.02 -0.06 -0.04 6.97 6.84 1a7cA1 GLN 56 HE22 -0.02 0.01 -0.06 -0.04 7.69 7.58 1a7cA1 GLN 57 H -0.05 0.46 -0.18 -0.55 8.47 8.15 1a7cA1 GLN 57 HA -0.02 0.07 0.47 -0.75 4.36 4.13 1a7cA1 GLN 57 HB2 -0.03 0.02 0.18 -0.04 2.15 2.27 1a7cA1 GLN 57 HB3 0.00 0.12 0.00 -0.04 2.02 2.11 1a7cA1 GLN 57 HG2 0.00 0.04 0.12 -0.04 2.40 2.52 1a7cA1 GLN 57 HG3 -0.02 0.19 0.16 -0.04 2.39 2.68 1a7cA1 GLN 57 HE21 0.03 -0.14 0.09 -0.04 6.97 6.90 1a7cA1 GLN 57 HE22 0.01 0.07 0.08 -0.04 7.69 7.81 1a7cA1 ILE 58 H -0.09 0.31 -0.22 -0.55 8.25 7.70 1a7cA1 ILE 58 HA -0.10 0.06 0.42 -0.75 4.18 3.80 1a7cA1 ILE 58 HB -0.15 0.11 0.15 -0.04 1.89 1.96 1a7cA1 ILE 58 HG12 -0.09 -0.04 -0.01 -0.04 1.49 1.31 1a7cA1 ILE 58 HG13 -0.11 0.13 0.09 -0.04 1.21 1.28 1a7cA1 ILE 58 HG23 -0.20 0.00 -0.10 -0.04 0.93 0.59 1a7cA1 ILE 58 HD13 -0.16 -0.03 -0.13 -0.04 0.88 0.52 1a7cA1 GLN 59 H -0.13 0.56 -0.07 -0.55 8.47 8.29 1a7cA1 GLN 59 HA -0.26 0.09 0.38 -0.75 4.36 3.81 1a7cA1 GLN 59 HB2 -0.09 0.05 0.08 -0.04 2.15 2.16 1a7cA1 GLN 59 HB3 -0.10 -0.06 -0.11 -0.04 2.02 1.72 1a7cA1 GLN 59 HG2 -0.17 0.01 0.09 -0.04 2.40 2.29 1a7cA1 GLN 59 HG3 -0.14 0.12 0.07 -0.04 2.39 2.41 1a7cA1 GLN 59 HE21 -0.04 -0.01 -0.04 -0.04 6.97 6.84 1a7cA1 GLN 59 HE22 -0.08 -0.09 0.03 -0.04 7.69 7.52 1a7cA1 ALA 60 H -0.07 0.49 -0.25 -0.55 8.40 8.02 1a7cA1 ALA 60 HA -0.03 -0.01 0.36 -0.75 4.34 3.91 1a7cA1 ALA 60 HB3 -0.01 0.02 0.10 -0.04 1.41 1.47 1a7cA1 ALA 61 H -0.06 0.38 -0.23 -0.55 8.40 7.95 1a7cA1 ALA 61 HA 0.05 0.05 0.44 -0.75 4.34 4.13 1a7cA1 ALA 61 HB3 0.10 0.03 0.13 -0.04 1.41 1.62 1a7cA1 MET 62 H -0.29 0.45 -0.12 -0.55 8.47 7.97 1a7cA1 MET 62 HA -0.40 0.07 0.55 -0.75 4.52 3.99 1a7cA1 MET 62 HB2 -0.60 0.06 0.09 -0.04 2.15 1.65 1a7cA1 MET 62 HB3 -0.74 -0.08 -0.01 -0.04 2.03 1.17 1a7cA1 MET 62 HG2 -1.72 -0.04 -0.04 -0.04 2.63 0.79 1a7cA1 MET 62 HG3 -0.92 0.10 -0.00 -0.04 2.56 1.69 1a7cA1 MET 62 HE3 -0.30 -0.01 -0.05 -0.04 2.10 1.70 1a7cA1 GLY 63 H -0.10 0.49 -0.20 -0.55 8.43 8.08 1a7cA1 GLY 63 HA2 0.04 0.03 0.29 -0.51 4.01 3.85 1a7cA1 GLY 63 HA3 0.09 0.08 0.51 -0.51 4.01 4.18 1a7cA1 PHE 64 H -0.25 0.24 -0.15 -0.55 8.34 7.62 1a7cA1 PHE 64 HA 0.01 0.07 0.43 -0.75 4.62 4.38 1a7cA1 PHE 64 HB2 0.03 -0.06 0.02 -0.04 3.15 3.11 1a7cA1 PHE 64 HB3 0.01 0.16 -0.18 -0.04 3.06 3.00 1a7cA1 PHE 64 HD2 -0.05 0.10 -0.42 -0.04 7.28 6.88 1a7cA1 PHE 64 HE2 -0.05 0.01 -0.18 -0.04 7.38 7.12 1a7cA1 PHE 64 HZ -0.04 -0.01 -0.09 -0.04 7.32 7.14 1a7cA1 LYS 65 H 0.17 0.20 0.09 -0.55 8.42 8.33 1a7cA1 LYS 65 HA -0.09 0.16 0.84 -0.75 4.32 4.47 1a7cA1 LYS 65 HB2 0.05 -0.02 0.08 -0.04 1.87 1.94 1a7cA1 LYS 65 HB3 0.01 -0.04 -0.02 -0.04 1.79 1.69 1a7cA1 LYS 65 HG2 -0.03 0.07 -0.14 -0.04 1.46 1.31 1a7cA1 LYS 65 HG3 0.02 0.02 -0.12 -0.04 1.46 1.34 1a7cA1 LYS 65 HD2 0.02 -0.01 -0.05 -0.04 1.69 1.60 1a7cA1 LYS 65 HD3 -0.00 -0.01 -0.07 -0.04 1.68 1.56 1a7cA1 LYS 65 HE2 -0.01 0.01 -0.10 -0.04 2.99 2.85 1a7cA1 LYS 65 HE3 0.01 0.04 -0.09 -0.04 2.99 2.90 1a7cA1 ILE 66 H -0.05 0.21 0.09 -0.55 8.25 7.95 1a7cA1 ILE 66 HA 0.17 0.11 0.32 -0.75 4.18 4.02 1a7cA1 ILE 66 HB 0.01 0.04 0.11 -0.04 1.89 2.00 1a7cA1 ILE 66 HG12 0.18 0.07 -0.07 -0.04 1.49 1.63 1a7cA1 ILE 66 HG13 -0.05 -0.02 -0.02 -0.04 1.21 1.09 1a7cA1 ILE 66 HG23 0.02 0.00 -0.14 -0.04 0.93 0.77 1a7cA1 ILE 66 HD13 0.17 0.00 -0.03 -0.04 0.88 0.98 1a7cA1 ASP 67 H 0.03 0.03 -0.27 -0.55 8.40 7.64 1a7cA1 ASP 67 HA 0.08 0.23 0.70 -0.75 4.63 4.88 1a7cA1 ASP 67 HB2 0.13 -0.00 0.11 -0.04 2.71 2.91 1a7cA1 ASP 67 HB3 0.11 0.05 -0.01 -0.04 2.70 2.81 1a7cA1 ASP 68 H 0.05 0.33 -0.43 -0.55 8.40 7.80 1a7cA1 ASP 68 HA 0.02 0.02 0.45 -0.75 4.63 4.37 1a7cA1 ASP 68 HB2 0.06 0.17 0.07 -0.04 2.71 2.97 1a7cA1 ASP 68 HB3 0.02 0.09 -0.07 -0.04 2.70 2.70 1a7cA1 LYS 69 H -0.00 0.10 0.16 -0.55 8.42 8.12 1a7cA1 LYS 69 HA -0.03 0.01 0.45 -0.75 4.32 4.00 1a7cA1 GLY 70 H -0.05 0.08 0.23 -0.55 8.43 8.15 1a7cA1 GLY 70 HA2 -0.06 -0.01 0.35 -0.51 4.01 3.78 1a7cA1 GLY 70 HA3 -0.05 0.24 0.78 -0.51 4.01 4.47 1a7cA1 MET 71 H -0.04 0.51 -0.03 -0.55 8.47 8.35 1a7cA1 MET 71 HA -0.08 0.06 0.53 -0.75 4.52 4.28 1a7cA1 MET 71 HB2 -0.03 0.15 0.15 -0.04 2.15 2.37 1a7cA1 MET 71 HB3 -0.05 -0.01 0.04 -0.04 2.03 1.97 1a7cA1 MET 71 HG2 0.02 -0.04 -0.12 -0.04 2.63 2.45 1a7cA1 MET 71 HG3 0.08 0.10 0.01 -0.04 2.56 2.70 1a7cA1 MET 71 HE3 0.08 -0.00 -0.08 -0.04 2.10 2.05 1a7cA1 ALA 72 H -0.11 0.05 -0.01 -0.55 8.40 7.79 1a7cA1 ALA 72 HA -0.22 0.14 0.43 -0.75 4.34 3.93 1a7cA1 ALA 72 HB3 -0.13 0.04 0.05 -0.04 1.41 1.32 1a7cA1 PRO 73 HA -0.41 0.10 0.57 -0.51 4.44 4.19 1a7cA1 PRO 73 HB2 -0.29 0.05 -0.00 -0.04 2.28 2.00 1a7cA1 PRO 73 HB3 -0.21 0.03 0.08 -0.04 2.02 1.88 1a7cA1 PRO 73 HG2 -0.13 0.19 0.04 -0.04 2.03 2.09 1a7cA1 PRO 73 HG3 -0.10 0.02 0.04 -0.04 2.03 1.96 1a7cA1 PRO 73 HD2 -0.12 -0.11 -0.19 -0.04 3.68 3.21 1a7cA1 PRO 73 HD3 -0.13 0.12 0.05 -0.04 3.65 3.66 1a7cA1 ALA 74 H -0.19 0.33 -0.28 -0.55 8.40 7.71 1a7cA1 ALA 74 HA -0.16 -0.01 0.34 -0.75 4.34 3.76 1a7cA1 ALA 74 HB3 -0.13 0.04 0.00 -0.04 1.41 1.28 1a7cA1 LEU 75 H -0.27 0.67 -0.08 -0.55 8.37 8.14 1a7cA1 LEU 75 HA -0.38 -0.01 0.49 -0.75 4.35 3.69 1a7cA1 LEU 75 HB2 -0.37 0.16 0.23 -0.04 1.64 1.62 1a7cA1 LEU 75 HB3 -0.61 0.04 0.03 -0.04 1.64 1.06 1a7cA1 LEU 75 HG -0.19 0.01 0.05 -0.04 1.64 1.48 1a7cA1 LEU 75 HD13 -0.23 -0.01 -0.03 -0.04 0.93 0.62 1a7cA1 LEU 75 HD23 -0.08 -0.03 -0.02 -0.04 0.89 0.72 1a7cA1 ARG 76 H -0.41 0.63 0.00 -0.55 8.46 8.14 1a7cA1 ARG 76 HA -0.33 0.05 0.41 -0.75 4.34 3.71 1a7cA1 ARG 76 HB2 -0.24 0.16 0.18 -0.04 1.90 1.95 1a7cA1 ARG 76 HB3 -0.38 -0.01 0.22 -0.04 1.80 1.59 1a7cA1 ARG 76 HG2 -0.01 -0.04 -0.13 -0.04 1.67 1.45 1a7cA1 ARG 76 HG3 -0.03 -0.00 0.06 -0.04 1.67 1.65 1a7cA1 ARG 76 HD2 -0.02 -0.03 -0.00 -0.04 3.22 3.12 1a7cA1 ARG 76 HD3 -0.11 0.06 0.01 -0.04 3.22 3.14 1a7cA1 HIS 77 H -0.31 0.64 -0.20 -0.55 8.41 8.00 1a7cA1 HIS 77 HA -0.02 0.01 0.47 -0.75 4.63 4.34 1a7cA1 HIS 77 HB2 -0.12 0.10 0.14 -0.04 3.26 3.35 1a7cA1 HIS 77 HB3 -0.03 -0.07 0.05 -0.04 3.20 3.10 1a7cA1 HIS 77 HD2 -0.01 -0.02 -0.10 -0.04 6.97 6.80 1a7cA1 HIS 77 HE1 -0.03 -0.04 -0.01 -0.04 7.75 7.62 1a7cA1 LEU 78 H -0.18 0.45 -0.20 -0.55 8.37 7.90 1a7cA1 LEU 78 HA -0.01 -0.02 0.49 -0.75 4.35 4.06 1a7cA1 LEU 78 HB2 -0.11 0.04 0.20 -0.04 1.64 1.72 1a7cA1 LEU 78 HB3 -0.21 0.14 0.22 -0.04 1.64 1.75 1a7cA1 LEU 78 HG 0.05 -0.02 -0.21 -0.04 1.64 1.43 1a7cA1 LEU 78 HD13 -0.04 -0.00 0.01 -0.04 0.93 0.86 1a7cA1 LEU 78 HD23 0.06 0.00 -0.05 -0.04 0.89 0.86 1a7cA1 TYR 79 H -0.28 0.61 -0.10 -0.55 8.29 7.97 1a7cA1 TYR 79 HA -0.01 -0.02 0.35 -0.75 4.56 4.13 1a7cA1 TYR 79 HB2 0.01 0.16 0.16 -0.04 3.06 3.35 1a7cA1 TYR 79 HB3 0.02 -0.03 0.05 -0.04 2.98 2.98 1a7cA1 TYR 79 HD2 0.03 -0.07 -0.04 -0.04 7.15 7.03 1a7cA1 TYR 79 HE2 -0.00 -0.00 -0.07 -0.04 6.85 6.73 1a7cA1 LYS 80 H 0.13 0.40 -0.21 -0.55 8.42 8.19 1a7cA1 LYS 80 HA 0.09 0.03 0.42 -0.75 4.32 4.10 1a7cA1 LYS 80 HB2 0.19 0.10 0.15 -0.04 1.87 2.26 1a7cA1 LYS 80 HB3 0.26 -0.06 0.02 -0.04 1.79 1.97 1a7cA1 LYS 80 HG2 0.14 -0.04 0.03 -0.04 1.46 1.55 1a7cA1 LYS 80 HG3 0.15 0.23 0.09 -0.04 1.46 1.89 1a7cA1 LYS 80 HD2 0.20 -0.01 -0.04 -0.04 1.69 1.80 1a7cA1 LYS 80 HD3 0.17 -0.04 0.00 -0.04 1.68 1.77 1a7cA1 LYS 80 HE2 0.11 -0.04 -0.01 -0.04 2.99 3.01 1a7cA1 LYS 80 HE3 0.11 -0.01 0.00 -0.04 2.99 3.05 1a7cA1 GLU 81 H 0.13 0.52 -0.15 -0.55 8.60 8.55 1a7cA1 GLU 81 HA 0.52 -0.01 0.44 -0.75 4.29 4.49 1a7cA1 GLU 81 HB2 0.07 0.12 0.18 -0.04 2.09 2.42 1a7cA1 GLU 81 HB3 0.24 -0.08 -0.01 -0.04 1.99 2.09 1a7cA1 GLU 81 HG2 0.18 0.29 0.10 -0.04 2.34 2.86 1a7cA1 GLU 81 HG3 0.17 -0.10 -0.04 -0.04 2.34 2.34 1a7cA1 LEU 82 H -0.08 0.47 -0.20 -0.55 8.37 8.02 1a7cA1 LEU 82 HA -0.57 0.01 0.49 -0.75 4.35 3.53 1a7cA1 LEU 82 HB2 -0.15 0.15 0.10 -0.04 1.64 1.69 1a7cA1 LEU 82 HB3 -0.29 -0.08 -0.03 -0.04 1.64 1.20 1a7cA1 LEU 82 HG -0.22 0.22 0.04 -0.04 1.64 1.64 1a7cA1 LEU 82 HD13 -0.44 -0.03 -0.08 -0.04 0.93 0.33 1a7cA1 LEU 82 HD23 -0.61 -0.04 -0.04 -0.04 0.89 0.17 1a7cA1 MET 83 H -0.12 0.37 -0.08 -0.55 8.47 8.10 1a7cA1 MET 83 HA -0.16 0.19 0.82 -0.75 4.52 4.62 1a7cA1 MET 83 HB2 -0.06 -0.00 0.09 -0.04 2.15 2.14 1a7cA1 MET 83 HB3 -0.07 -0.05 0.19 -0.04 2.03 2.06 1a7cA1 MET 83 HG2 -0.05 0.09 -0.18 -0.04 2.63 2.45 1a7cA1 MET 83 HG3 -0.04 0.10 0.04 -0.04 2.56 2.63 1a7cA1 MET 83 HE3 0.03 0.02 0.00 -0.04 2.10 2.11 1a7cA1 GLY 84 H -0.55 0.31 -0.26 -0.55 8.43 7.39 1a7cA1 GLY 84 HA2 -0.71 0.01 0.40 -0.51 4.01 3.20 1a7cA1 GLY 84 HA3 -2.82 -0.00 0.35 -0.51 4.01 1.03 1a7cA1 PRO 85 HA -0.16 0.15 0.49 -0.51 4.44 4.41 1a7cA1 PRO 85 HB2 0.06 0.01 0.05 -0.04 2.28 2.36 1a7cA1 PRO 85 HB3 -0.01 0.05 0.16 -0.04 2.02 2.17 1a7cA1 PRO 85 HG2 0.35 -0.02 0.10 -0.04 2.03 2.42 1a7cA1 PRO 85 HG3 0.14 0.03 0.10 -0.04 2.03 2.26 1a7cA1 PRO 85 HD2 -0.13 0.07 0.27 -0.04 3.68 3.84 1a7cA1 PRO 85 HD3 -0.10 0.18 0.22 -0.04 3.65 3.92 1a7cA1 TRP 86 H -0.10 0.10 -0.30 -0.55 7.97 7.12 1a7cA1 TRP 86 HA 0.01 0.07 0.40 -0.75 4.62 4.36 1a7cA1 TRP 86 HB2 0.02 0.04 0.09 -0.04 3.23 3.33 1a7cA1 TRP 86 HB3 0.01 -0.04 0.07 -0.04 3.23 3.24 1a7cA1 TRP 86 HD1 0.05 0.02 -0.19 -0.04 7.22 7.05 1a7cA1 TRP 86 HE1 0.08 0.03 0.01 -0.04 10.20 10.28 1a7cA1 TRP 86 HE3 0.02 -0.04 0.05 -0.04 7.59 7.58 1a7cA1 TRP 86 HZ2 0.03 -0.01 -0.01 -0.04 7.44 7.41 1a7cA1 TRP 86 HZ3 0.02 -0.01 0.06 -0.04 7.13 7.16 1a7cA1 TRP 86 HH2 0.02 -0.01 -0.02 -0.04 7.19 7.14 1a7cA1 ASN 87 H -0.46 0.41 -0.53 -0.55 8.53 7.40 1a7cA1 ASN 87 HA 0.01 0.06 0.60 -0.75 4.76 4.67 1a7cA1 ASN 87 HB2 -0.23 0.28 0.01 -0.04 2.88 2.89 1a7cA1 ASN 87 HB3 -0.03 -0.14 0.04 -0.04 2.79 2.61 1a7cA1 ASN 87 HD21 -0.38 0.45 0.07 -0.04 7.03 7.12 1a7cA1 ASN 87 HD22 -0.67 0.35 -0.11 -0.04 7.74 7.27 1a7cA1 LYS 88 H -0.09 0.41 -0.26 -0.55 8.42 7.93 1a7cA1 LYS 88 HA -0.04 0.05 0.36 -0.75 4.32 3.95 1a7cA1 LYS 88 HB2 -0.34 0.04 0.17 -0.04 1.87 1.71 1a7cA1 LYS 88 HB3 -0.37 -0.08 -0.01 -0.04 1.79 1.28 1a7cA1 LYS 88 HG2 -0.01 -0.02 -0.00 -0.04 1.46 1.39 1a7cA1 LYS 88 HG3 -0.03 0.13 -0.26 -0.04 1.46 1.25 1a7cA1 LYS 88 HD2 -0.16 0.05 -0.05 -0.04 1.69 1.49 1a7cA1 LYS 88 HD3 -0.08 -0.07 -0.07 -0.04 1.68 1.43 1a7cA1 LYS 88 HE2 0.03 -0.01 0.00 -0.04 2.99 2.97 1a7cA1 LYS 88 HE3 0.04 -0.06 -0.01 -0.04 2.99 2.92 1a7cA1 ASP 89 H -0.09 0.56 0.10 -0.55 8.40 8.41 1a7cA1 ASP 89 HA 0.05 0.02 0.60 -0.75 4.63 4.54 1a7cA1 ASP 89 HB2 0.09 0.03 0.04 -0.04 2.71 2.84 1a7cA1 ASP 89 HB3 -0.00 0.02 0.05 -0.04 2.70 2.72 1a7cA1 GLU 90 H -0.10 0.44 0.32 -0.55 8.60 8.71 1a7cA1 GLU 90 HA -0.02 0.20 0.66 -0.75 4.29 4.38 1a7cA1 GLU 90 HB2 -0.01 0.04 0.10 -0.04 2.09 2.18 1a7cA1 GLU 90 HB3 -0.05 -0.09 0.21 -0.04 1.99 2.01 1a7cA1 GLU 90 HG2 0.15 -0.02 -0.36 -0.04 2.34 2.07 1a7cA1 GLU 90 HG3 0.03 0.08 -0.04 -0.04 2.34 2.37 1a7cA1 ILE 91 H -0.01 0.36 0.22 -0.55 8.25 8.28 1a7cA1 ILE 91 HA 0.12 0.26 0.97 -0.75 4.18 4.78 1a7cA1 ILE 91 HB -0.07 0.29 0.03 -0.04 1.89 2.10 1a7cA1 ILE 91 HG12 0.11 -0.07 -0.03 -0.04 1.49 1.46 1a7cA1 ILE 91 HG13 0.13 -0.02 -0.50 -0.04 1.21 0.78 1a7cA1 ILE 91 HG23 -0.06 -0.05 -0.23 -0.04 0.93 0.55 1a7cA1 ILE 91 HD13 -0.12 0.02 -0.05 -0.04 0.88 0.68 1a7cA1 SER 92 H 0.14 0.60 0.29 -0.55 8.46 8.95 1a7cA1 SER 92 HA 0.03 0.15 0.83 -0.75 4.49 4.75 1a7cA1 SER 92 HB2 0.08 0.00 -0.12 -0.04 3.95 3.88 1a7cA1 SER 92 HB3 0.16 -0.03 0.10 -0.04 3.93 4.12 1a7cA1 THR 93 H 0.02 0.28 0.16 -0.55 8.28 8.19 1a7cA1 THR 93 HA 0.10 0.43 1.06 -0.75 4.39 5.23 1a7cA1 THR 93 HB 0.08 -0.04 -0.06 -0.04 4.32 4.26 1a7cA1 THR 93 HG23 -0.00 0.00 0.01 -0.04 1.22 1.18 1a7cA1 THR 94 H 0.10 0.56 0.32 -0.55 8.28 8.72 1a7cA1 THR 94 HA 0.04 0.20 0.86 -0.75 4.39 4.74 1a7cA1 THR 94 HB 0.07 -0.08 0.04 -0.04 4.32 4.30 1a7cA1 THR 94 HG23 0.24 0.05 0.00 -0.04 1.22 1.46 1a7cA1 ASP 95 H 0.06 0.29 0.18 -0.55 8.40 8.39 1a7cA1 ASP 95 HA 0.09 0.21 1.06 -0.75 4.63 5.24 1a7cA1 ASP 95 HB2 0.01 0.10 0.09 -0.04 2.71 2.88 1a7cA1 ASP 95 HB3 -0.07 -0.02 0.03 -0.04 2.70 2.60 1a7cA1 ALA 96 H -0.09 0.62 0.36 -0.55 8.40 8.75 1a7cA1 ALA 96 HA -0.21 0.14 0.59 -0.75 4.34 4.11 1a7cA1 ALA 96 HB3 -1.20 0.01 -0.12 -0.04 1.41 0.06 1a7cA1 ILE 97 H -0.53 0.28 0.12 -0.55 8.25 7.57 1a7cA1 ILE 97 HA -0.22 0.26 0.96 -0.75 4.18 4.43 1a7cA1 ILE 97 HB -0.48 0.04 -0.10 -0.04 1.89 1.30 1a7cA1 ILE 97 HG12 -0.23 -0.02 -0.23 -0.04 1.49 0.96 1a7cA1 ILE 97 HG13 -0.16 0.03 -0.04 -0.04 1.21 1.00 1a7cA1 ILE 97 HG23 -0.82 -0.01 0.01 -0.04 0.93 0.07 1a7cA1 ILE 97 HD13 -0.16 -0.00 -0.10 -0.04 0.88 0.58 1a7cA1 PHE 98 H 0.06 0.70 0.29 -0.55 8.34 8.84 1a7cA1 PHE 98 HA -0.15 0.33 0.94 -0.75 4.62 5.00 1a7cA1 PHE 98 HB2 0.00 -0.06 0.13 -0.04 3.15 3.18 1a7cA1 PHE 98 HB3 -0.08 -0.05 -0.09 -0.04 3.06 2.80 1a7cA1 PHE 98 HD2 -0.21 0.04 -0.18 -0.04 7.28 6.88 1a7cA1 PHE 98 HE2 -0.47 0.02 -0.18 -0.04 7.38 6.71 1a7cA1 PHE 98 HZ -1.01 0.04 -0.10 -0.04 7.32 6.20 1a7cA1 VAL 99 H -0.01 0.73 0.31 -0.55 8.24 8.71 1a7cA1 VAL 99 HA 0.14 0.25 1.10 -0.75 4.13 4.87 1a7cA1 VAL 99 HB -0.08 -0.07 -0.14 -0.04 2.12 1.79 1a7cA1 VAL 99 HG13 -0.07 0.03 -0.13 -0.04 0.97 0.76 1a7cA1 VAL 99 HG23 -0.07 0.07 0.02 -0.04 0.95 0.93 1a7cA1 GLN 100 H 0.16 0.58 0.26 -0.55 8.47 8.93 1a7cA1 GLN 100 HA 0.10 0.05 0.54 -0.75 4.36 4.30 1a7cA1 GLN 100 HB2 0.21 0.08 0.24 -0.04 2.15 2.65 1a7cA1 GLN 100 HB3 0.05 0.02 0.20 -0.04 2.02 2.25 1a7cA1 GLN 100 HG2 0.05 0.10 0.00 -0.04 2.40 2.51 1a7cA1 GLN 100 HG3 0.03 -0.18 -0.16 -0.04 2.39 2.04 1a7cA1 GLN 100 HE21 0.02 -0.15 0.13 -0.04 6.97 6.93 1a7cA1 GLN 100 HE22 0.02 -0.03 0.05 -0.04 7.69 7.69 1a7cA1 ARG 101 H -0.03 0.43 0.34 -0.55 8.46 8.65 1a7cA1 ARG 101 HA -0.02 0.14 0.39 -0.75 4.34 4.09 1a7cA1 ARG 101 HB2 -0.02 0.03 -0.01 -0.04 1.90 1.85 1a7cA1 ARG 101 HB3 -0.04 0.02 -0.05 -0.04 1.80 1.69 1a7cA1 ARG 101 HG2 -0.03 -0.02 -0.00 -0.04 1.67 1.57 1a7cA1 ARG 101 HG3 -0.01 -0.04 -0.01 -0.04 1.67 1.57 1a7cA1 ARG 101 HD2 -0.02 -0.05 -0.06 -0.04 3.22 3.05 1a7cA1 ARG 101 HD3 -0.02 0.04 -0.07 -0.04 3.22 3.13 1a7cA1 ASP 102 H -0.00 0.02 -0.12 -0.55 8.40 7.74 1a7cA1 ASP 102 HA -0.01 0.19 0.56 -0.75 4.63 4.62 1a7cA1 ASP 102 HB2 -0.00 0.03 0.14 -0.04 2.71 2.84 1a7cA1 ASP 102 HB3 -0.00 -0.01 0.05 -0.04 2.70 2.70 1a7cA1 LEU 103 H -0.01 0.41 -0.64 -0.55 8.37 7.58 1a7cA1 LEU 103 HA -0.02 0.03 0.62 -0.75 4.35 4.22 1a7cA1 LEU 103 HB2 -0.02 -0.11 0.02 -0.04 1.64 1.49 1a7cA1 LEU 103 HB3 -0.04 0.17 0.08 -0.04 1.64 1.81 1a7cA1 LEU 103 HG -0.06 0.06 -0.31 -0.04 1.64 1.28 1a7cA1 LEU 103 HD13 -0.05 -0.02 -0.04 -0.04 0.93 0.78 1a7cA1 LEU 103 HD23 -0.09 -0.01 -0.06 -0.04 0.89 0.69 1a7cA1 LYS 104 H -0.02 0.10 0.15 -0.55 8.42 8.09 1a7cA1 LYS 104 HA -0.01 0.08 0.55 -0.75 4.32 4.19 1a7cA1 LYS 104 HB2 -0.01 -0.12 0.19 -0.04 1.87 1.89 1a7cA1 LYS 104 HB3 -0.01 0.06 0.03 -0.04 1.79 1.83 1a7cA1 LYS 104 HG2 -0.01 0.05 0.08 -0.04 1.46 1.54 1a7cA1 LYS 104 HG3 -0.00 -0.02 0.05 -0.04 1.46 1.45 1a7cA1 LYS 104 HD2 -0.00 -0.03 -0.00 -0.04 1.69 1.62 1a7cA1 LYS 104 HD3 -0.00 0.02 0.00 -0.04 1.68 1.66 1a7cA1 LYS 104 HE2 -0.00 -0.02 -0.08 -0.04 2.99 2.85 1a7cA1 LYS 104 HE3 -0.01 0.02 -0.41 -0.04 2.99 2.55 1a7cA1 LEU 105 H -0.02 0.12 0.22 -0.55 8.37 8.15 1a7cA1 LEU 105 HA -0.09 0.28 0.76 -0.75 4.35 4.55 1a7cA1 LEU 105 HB2 0.02 -0.11 0.09 -0.04 1.64 1.60 1a7cA1 LEU 105 HB3 -0.07 0.06 0.17 -0.04 1.64 1.75 1a7cA1 LEU 105 HG -0.05 0.12 0.07 -0.04 1.64 1.75 1a7cA1 LEU 105 HD13 -0.01 -0.03 0.00 -0.04 0.93 0.85 1a7cA1 LEU 105 HD23 -0.21 -0.01 -0.15 -0.04 0.89 0.48 1a7cA1 VAL 106 H -0.04 0.66 0.22 -0.55 8.24 8.53 1a7cA1 VAL 106 HA 0.04 -0.03 0.46 -0.75 4.13 3.84 1a7cA1 VAL 106 HB 0.10 0.16 0.02 -0.04 2.12 2.36 1a7cA1 VAL 106 HG13 0.09 0.01 -0.08 -0.04 0.97 0.95 1a7cA1 VAL 106 HG23 0.02 0.02 -0.26 -0.04 0.95 0.69 1a7cA1 GLN 107 H 0.06 0.10 0.18 -0.55 8.47 8.25 1a7cA1 GLN 107 HA 0.08 0.02 0.54 -0.75 4.36 4.24 1a7cA1 GLN 107 HB2 0.04 0.04 0.16 -0.04 2.15 2.35 1a7cA1 GLN 107 HB3 0.05 0.02 0.12 -0.04 2.02 2.16 1a7cA1 GLN 107 HG2 0.03 0.02 0.04 -0.04 2.40 2.45 1a7cA1 GLN 107 HG3 0.04 0.01 -0.04 -0.04 2.39 2.36 1a7cA1 GLN 107 HE21 0.03 0.01 0.04 -0.04 6.97 7.01 1a7cA1 GLN 107 HE22 0.03 0.02 0.04 -0.04 7.69 7.74 1a7cA1 GLY 108 H 0.09 0.11 0.21 -0.55 8.43 8.29 1a7cA1 GLY 108 HA2 0.07 -0.02 0.36 -0.51 4.01 3.91 1a7cA1 GLY 108 HA3 0.09 0.20 0.59 -0.51 4.01 4.37 1a7cA1 PHE 109 H 0.24 0.38 -0.21 -0.55 8.34 8.19 1a7cA1 PHE 109 HA 0.13 0.13 0.42 -0.75 4.62 4.55 1a7cA1 PHE 109 HB2 0.05 0.17 0.12 -0.04 3.15 3.45 1a7cA1 PHE 109 HB3 0.04 -0.07 0.17 -0.04 3.06 3.16 1a7cA1 PHE 109 HD2 0.01 0.09 -0.08 -0.04 7.28 7.26 1a7cA1 PHE 109 HE2 -0.11 0.05 -0.22 -0.04 7.38 7.06 1a7cA1 PHE 109 HZ -0.02 -0.02 -0.13 -0.04 7.32 7.12 1a7cA1 MET 110 H 0.24 0.10 0.02 -0.55 8.47 8.29 1a7cA1 MET 110 HA 0.14 0.07 0.41 -0.75 4.52 4.38 1a7cA1 MET 110 HB2 0.10 -0.00 0.10 -0.04 2.15 2.31 1a7cA1 MET 110 HB3 0.09 0.01 0.03 -0.04 2.03 2.11 1a7cA1 MET 110 HG2 0.17 0.00 0.06 -0.04 2.63 2.82 1a7cA1 MET 110 HG3 0.18 0.00 0.09 -0.04 2.56 2.79 1a7cA1 MET 110 HE3 0.04 0.00 0.03 -0.04 2.10 2.13 1a7cA1 PRO 111 HA 0.12 0.08 0.49 -0.51 4.44 4.61 1a7cA1 PRO 111 HB2 0.05 0.11 0.05 -0.04 2.28 2.45 1a7cA1 PRO 111 HB3 0.05 0.04 0.06 -0.04 2.02 2.13 1a7cA1 PRO 111 HG2 0.05 0.03 0.05 -0.04 2.03 2.12 1a7cA1 PRO 111 HG3 0.04 0.05 0.02 -0.04 2.03 2.11 1a7cA1 PRO 111 HD2 0.09 0.12 -0.50 -0.04 3.68 3.36 1a7cA1 PRO 111 HD3 0.09 0.01 0.02 -0.04 3.65 3.73 1a7cA1 HIS 112 H 0.12 0.46 -0.17 -0.55 8.41 8.28 1a7cA1 HIS 112 HA -0.02 -0.02 0.38 -0.75 4.63 4.21 1a7cA1 HIS 112 HB2 -0.03 0.21 0.22 -0.04 3.26 3.62 1a7cA1 HIS 112 HB3 -0.17 0.12 0.16 -0.04 3.20 3.27 1a7cA1 HIS 112 HD2 -0.08 -0.07 0.06 -0.04 6.97 6.83 1a7cA1 HIS 112 HE1 0.00 -0.02 -0.00 -0.04 7.75 7.69 1a7cA1 PHE 113 H 0.00 0.56 -0.14 -0.55 8.34 8.21 1a7cA1 PHE 113 HA 0.00 0.03 0.42 -0.75 4.62 4.31 1a7cA1 PHE 113 HB2 -0.62 0.04 0.06 -0.04 3.15 2.58 1a7cA1 PHE 113 HB3 -0.08 0.06 0.14 -0.04 3.06 3.13 1a7cA1 PHE 113 HD2 0.02 0.09 -0.10 -0.04 7.28 7.25 1a7cA1 PHE 113 HE2 -0.18 0.02 -0.20 -0.04 7.38 6.98 1a7cA1 PHE 113 HZ -0.20 -0.03 -0.30 -0.04 7.32 6.75 1a7cA1 PHE 114 H 0.32 0.44 -0.14 -0.55 8.34 8.41 1a7cA1 PHE 114 HA 0.05 0.02 0.39 -0.75 4.62 4.33 1a7cA1 PHE 114 HB2 0.11 0.01 0.11 -0.04 3.15 3.35 1a7cA1 PHE 114 HB3 0.05 0.10 0.16 -0.04 3.06 3.34 1a7cA1 PHE 114 HD2 0.06 0.02 -0.34 -0.04 7.28 6.98 1a7cA1 PHE 114 HE2 0.04 0.01 -0.16 -0.04 7.38 7.24 1a7cA1 PHE 114 HZ 0.04 0.02 -0.07 -0.04 7.32 7.27 1a7cA1 ARG 115 H 0.11 0.56 -0.13 -0.55 8.46 8.44 1a7cA1 ARG 115 HA -0.09 -0.00 0.35 -0.75 4.34 3.84 1a7cA1 ARG 115 HB2 0.04 0.03 0.10 -0.04 1.90 2.03 1a7cA1 ARG 115 HB3 -0.00 0.13 0.11 -0.04 1.80 1.99 1a7cA1 ARG 115 HG2 -0.09 -0.01 0.02 -0.04 1.67 1.54 1a7cA1 ARG 115 HG3 -0.03 -0.04 0.03 -0.04 1.67 1.59 1a7cA1 ARG 115 HD2 -0.08 0.01 -0.05 -0.04 3.22 3.06 1a7cA1 ARG 115 HD3 -0.08 -0.07 -0.01 -0.04 3.22 3.02 1a7cA1 LEU 116 H -0.20 0.34 -0.28 -0.55 8.37 7.68 1a7cA1 LEU 116 HA -0.36 0.09 0.77 -0.75 4.35 4.10 1a7cA1 LEU 116 HB2 -0.68 0.06 0.11 -0.04 1.64 1.09 1a7cA1 LEU 116 HB3 -1.03 -0.04 -0.03 -0.04 1.64 0.50 1a7cA1 LEU 116 HG -0.04 0.03 -0.00 -0.04 1.64 1.59 1a7cA1 LEU 116 HD13 -0.11 -0.02 -0.10 -0.04 0.93 0.65 1a7cA1 LEU 116 HD23 -0.17 -0.01 -0.04 -0.04 0.89 0.62 1a7cA1 PHE 117 H -0.42 0.66 0.11 -0.55 8.34 8.13 1a7cA1 PHE 117 HA -0.04 0.23 0.96 -0.75 4.62 5.02 1a7cA1 PHE 117 HB2 -1.12 0.06 0.04 -0.04 3.15 2.09 1a7cA1 PHE 117 HB3 -0.34 -0.07 0.10 -0.04 3.06 2.71 1a7cA1 PHE 117 HD2 -0.59 0.06 0.00 -0.04 7.28 6.72 1a7cA1 PHE 117 HE2 -0.08 -0.01 -0.08 -0.04 7.38 7.16 1a7cA1 PHE 117 HZ -0.05 0.03 -0.38 -0.04 7.32 6.89 1a7cA1 ARG 118 H -0.36 0.44 -0.12 -0.55 8.46 7.87 1a7cA1 ARG 118 HA -0.92 0.08 0.34 -0.75 4.34 3.08 1a7cA1 ARG 118 HB2 -0.04 0.04 -0.26 -0.04 1.90 1.60 1a7cA1 ARG 118 HB3 -0.11 -0.05 0.24 -0.04 1.80 1.83 1a7cA1 ARG 118 HG2 -0.19 0.09 -0.06 -0.04 1.67 1.47 1a7cA1 ARG 118 HG3 -0.04 -0.04 0.00 -0.04 1.67 1.55 1a7cA1 ARG 118 HD2 -0.25 -0.06 0.03 -0.04 3.22 2.90 1a7cA1 ARG 118 HD3 -0.91 0.09 0.03 -0.04 3.22 2.40 1a7cA1 SER 119 H -0.03 0.18 -0.24 -0.55 8.46 7.82 1a7cA1 SER 119 HA 0.24 0.07 0.73 -0.75 4.49 4.77 1a7cA1 SER 119 HB2 0.11 0.13 -0.12 -0.04 3.95 4.04 1a7cA1 SER 119 HB3 0.28 -0.13 -0.10 -0.04 3.93 3.94 1a7cA1 THR 120 H 0.25 0.15 0.11 -0.55 8.28 8.24 1a7cA1 THR 120 HA 0.31 0.11 0.76 -0.75 4.39 4.82 1a7cA1 THR 120 HB 0.03 0.03 0.02 -0.04 4.32 4.36 1a7cA1 THR 120 HG23 -0.02 0.00 -0.03 -0.04 1.22 1.14 1a7cA1 VAL 121 H 0.06 0.08 0.15 -0.55 8.24 7.99 1a7cA1 VAL 121 HA -0.28 0.07 0.46 -0.75 4.13 3.63 1a7cA1 VAL 121 HB -0.03 -0.05 0.13 -0.04 2.12 2.13 1a7cA1 VAL 121 HG13 -0.13 0.01 -0.19 -0.04 0.97 0.62 1a7cA1 VAL 121 HG23 -0.11 0.00 0.05 -0.04 0.95 0.85 1a7cA1 LYS 122 H -0.38 0.56 0.41 -0.55 8.42 8.46 1a7cA1 LYS 122 HA -0.13 0.11 0.83 -0.75 4.32 4.37 1a7cA1 LYS 122 HB2 -0.81 0.04 0.20 -0.04 1.87 1.27 1a7cA1 LYS 122 HB3 -0.17 -0.05 -0.02 -0.04 1.79 1.52 1a7cA1 LYS 122 HG2 -0.18 -0.03 -0.01 -0.04 1.46 1.19 1a7cA1 LYS 122 HG3 -0.23 0.09 -0.11 -0.04 1.46 1.17 1a7cA1 LYS 122 HD2 -0.87 0.00 0.08 -0.04 1.69 0.86 1a7cA1 LYS 122 HD3 -1.45 -0.07 -0.05 -0.04 1.68 0.07 1a7cA1 LYS 122 HE2 -0.55 -0.00 -0.01 -0.04 2.99 2.39 1a7cA1 LYS 122 HE3 -0.11 -0.03 -0.02 -0.04 2.99 2.79 1a7cA1 GLN 123 H -0.05 0.19 0.17 -0.55 8.47 8.24 1a7cA1 GLN 123 HA -0.05 0.33 1.11 -0.75 4.36 5.00 1a7cA1 GLN 123 HB2 -0.03 -0.04 0.16 -0.04 2.15 2.19 1a7cA1 GLN 123 HB3 -0.04 -0.04 0.04 -0.04 2.02 1.95 1a7cA1 GLN 123 HG2 -0.04 0.09 -0.18 -0.04 2.40 2.23 1a7cA1 GLN 123 HG3 -0.05 -0.01 -0.24 -0.04 2.39 2.06 1a7cA1 GLN 123 HE21 -0.02 0.02 0.05 -0.04 6.97 6.98 1a7cA1 GLN 123 HE22 -0.03 0.06 -0.04 -0.04 7.69 7.65 1a7cA1 VAL 124 H -0.11 0.47 0.16 -0.55 8.24 8.21 1a7cA1 VAL 124 HA -0.11 0.22 0.85 -0.75 4.13 4.33 1a7cA1 VAL 124 HB -0.35 -0.08 -0.04 -0.04 2.12 1.62 1a7cA1 VAL 124 HG13 -0.05 0.03 -0.26 -0.04 0.97 0.65 1a7cA1 VAL 124 HG23 -0.82 -0.01 -0.36 -0.04 0.95 -0.28 1a7cA1 ASP 125 H -0.19 0.25 0.06 -0.55 8.40 7.96 1a7cA1 ASP 125 HA -0.09 0.12 0.99 -0.75 4.63 4.89 1a7cA1 ASP 125 HB2 -0.05 0.09 0.02 -0.04 2.71 2.72 1a7cA1 ASP 125 HB3 -0.06 0.02 0.19 -0.04 2.70 2.81 1a7cA1 PHE 126 H 0.02 0.27 0.00 -0.55 8.34 8.07 1a7cA1 PHE 126 HA -0.03 0.08 0.29 -0.75 4.62 4.21 1a7cA1 PHE 126 HB2 -0.04 0.16 0.02 -0.04 3.15 3.26 1a7cA1 PHE 126 HB3 -0.04 0.13 0.01 -0.04 3.06 3.12 1a7cA1 PHE 126 HD2 -0.05 0.00 -0.14 -0.04 7.28 7.05 1a7cA1 PHE 126 HE2 -0.07 0.04 -0.38 -0.04 7.38 6.93 1a7cA1 PHE 126 HZ -0.04 0.07 -0.32 -0.04 7.32 6.99 1a7cA1 SER 127 H 0.05 0.04 -0.35 -0.55 8.46 7.66 1a7cA1 SER 127 HA 0.05 0.09 0.48 -0.75 4.49 4.35 1a7cA1 SER 127 HB2 0.02 0.03 0.08 -0.04 3.95 4.04 1a7cA1 SER 127 HB3 0.03 0.06 0.08 -0.04 3.93 4.06 1a7cA1 GLU 128 H 0.00 0.28 -0.42 -0.55 8.60 7.91 1a7cA1 GLU 128 HA 0.01 0.15 0.65 -0.75 4.29 4.34 1a7cA1 GLU 128 HB2 -0.02 0.08 0.22 -0.04 2.09 2.32 1a7cA1 GLU 128 HB3 -0.01 -0.04 0.13 -0.04 1.99 2.03 1a7cA1 GLU 128 HG2 -0.00 0.06 -0.05 -0.04 2.34 2.31 1a7cA1 GLU 128 HG3 -0.01 -0.06 -0.03 -0.04 2.34 2.20 1a7cA1 VAL 129 H 0.03 0.39 -0.41 -0.55 8.24 7.71 1a7cA1 VAL 129 HA 0.08 0.12 0.20 -0.75 4.13 3.77 1a7cA1 VAL 129 HB 0.03 -0.06 0.10 -0.04 2.12 2.14 1a7cA1 VAL 129 HG13 0.04 0.00 -0.20 -0.04 0.97 0.77 1a7cA1 VAL 129 HG23 0.04 0.06 -0.04 -0.04 0.95 0.97 1a7cA1 GLU 130 H 0.02 0.15 -0.08 -0.55 8.60 8.15 1a7cA1 GLU 130 HA 0.04 0.08 0.38 -0.75 4.29 4.04 1a7cA1 GLU 130 HB2 0.01 -0.01 0.05 -0.04 2.09 2.10 1a7cA1 GLU 130 HB3 0.02 0.07 -0.03 -0.04 1.99 2.00 1a7cA1 GLU 130 HG2 0.02 -0.03 0.04 -0.04 2.34 2.32 1a7cA1 GLU 130 HG3 0.01 0.06 0.02 -0.04 2.34 2.39 1a7cA1 ARG 131 H 0.02 0.15 -0.34 -0.55 8.46 7.73 1a7cA1 ARG 131 HA 0.08 0.08 0.45 -0.75 4.34 4.20 1a7cA1 ARG 131 HB2 0.00 -0.02 0.07 -0.04 1.90 1.91 1a7cA1 ARG 131 HB3 -0.00 0.22 0.17 -0.04 1.80 2.14 1a7cA1 ARG 131 HG2 -0.00 -0.01 0.00 -0.04 1.67 1.63 1a7cA1 ARG 131 HG3 0.01 -0.01 -0.24 -0.04 1.67 1.39 1a7cA1 ARG 131 HD2 0.11 -0.03 0.06 -0.04 3.22 3.32 1a7cA1 ARG 131 HD3 0.01 0.01 0.01 -0.04 3.22 3.21 1a7cA1 ALA 132 H -0.02 0.55 -0.05 -0.55 8.40 8.34 1a7cA1 ALA 132 HA -0.14 0.00 0.33 -0.75 4.34 3.78 1a7cA1 ALA 132 HB3 -0.24 0.05 -0.12 -0.04 1.41 1.05 1a7cA1 ARG 133 H 0.03 0.60 -0.16 -0.55 8.46 8.37 1a7cA1 ARG 133 HA -0.01 0.00 0.32 -0.75 4.34 3.90 1a7cA1 ARG 133 HB2 0.05 0.03 0.01 -0.04 1.90 1.95 1a7cA1 ARG 133 HB3 0.06 0.06 0.03 -0.04 1.80 1.90 1a7cA1 ARG 133 HG2 0.03 0.04 -0.14 -0.04 1.67 1.55 1a7cA1 ARG 133 HG3 0.01 -0.07 -0.03 -0.04 1.67 1.53 1a7cA1 ARG 133 HD2 0.02 0.24 -0.41 -0.04 3.22 3.03 1a7cA1 ARG 133 HD3 0.03 -0.11 -0.10 -0.04 3.22 2.99 1a7cA1 PHE 134 H 0.16 0.45 -0.29 -0.55 8.34 8.10 1a7cA1 PHE 134 HA -0.01 0.03 0.42 -0.75 4.62 4.32 1a7cA1 PHE 134 HB2 -0.01 -0.00 0.11 -0.04 3.15 3.21 1a7cA1 PHE 134 HB3 -0.02 0.13 0.21 -0.04 3.06 3.34 1a7cA1 PHE 134 HD2 0.00 0.02 -0.03 -0.04 7.28 7.23 1a7cA1 PHE 134 HE2 0.02 0.01 -0.05 -0.04 7.38 7.31 1a7cA1 PHE 134 HZ 0.02 0.02 -0.05 -0.04 7.32 7.26 1a7cA1 ILE 135 H 0.02 0.55 -0.12 -0.55 8.25 8.15 1a7cA1 ILE 135 HA -0.32 0.02 0.37 -0.75 4.18 3.51 1a7cA1 ILE 135 HB -0.12 0.09 0.14 -0.04 1.89 1.95 1a7cA1 ILE 135 HG12 0.08 -0.02 0.02 -0.04 1.49 1.53 1a7cA1 ILE 135 HG13 0.17 0.13 0.07 -0.04 1.21 1.54 1a7cA1 ILE 135 HG23 -0.02 -0.01 -0.18 -0.04 0.93 0.68 1a7cA1 ILE 135 HD13 0.01 -0.03 -0.07 -0.04 0.88 0.75 1a7cA1 ILE 136 H -0.28 0.47 -0.26 -0.55 8.25 7.64 1a7cA1 ILE 136 HA -0.61 0.05 0.36 -0.75 4.18 3.22 1a7cA1 ILE 136 HB -0.27 0.08 0.08 -0.04 1.89 1.74 1a7cA1 ILE 136 HG12 -2.17 -0.02 -0.10 -0.04 1.49 -0.83 1a7cA1 ILE 136 HG13 -0.66 0.09 -0.02 -0.04 1.21 0.57 1a7cA1 ILE 136 HG23 -0.32 -0.02 -0.20 -0.04 0.93 0.35 1a7cA1 ILE 136 HD13 -0.17 -0.02 -0.15 -0.04 0.88 0.50 1a7cA1 ASN 137 H -0.14 0.66 -0.02 -0.55 8.53 8.49 1a7cA1 ASN 137 HA -0.00 -0.09 0.36 -0.75 4.76 4.28 1a7cA1 ASN 137 HB2 -0.06 0.11 0.19 -0.04 2.88 3.08 1a7cA1 ASN 137 HB3 -0.01 0.15 0.02 -0.04 2.79 2.91 1a7cA1 ASN 137 HD21 0.02 0.42 -0.02 -0.04 7.03 7.41 1a7cA1 ASN 137 HD22 0.04 -0.01 -0.05 -0.04 7.74 7.68 1a7cA1 ASP 138 H -0.31 0.66 -0.27 -0.55 8.40 7.94 1a7cA1 ASP 138 HA -0.12 0.04 0.47 -0.75 4.63 4.26 1a7cA1 ASP 138 HB2 -1.02 0.06 0.08 -0.04 2.71 1.79 1a7cA1 ASP 138 HB3 -0.43 0.10 0.08 -0.04 2.70 2.40 1a7cA1 TRP 139 H 0.13 0.44 -0.18 -0.55 7.97 7.82 1a7cA1 TRP 139 HA 0.12 0.02 0.43 -0.75 4.62 4.42 1a7cA1 TRP 139 HB2 0.12 0.07 0.12 -0.04 3.23 3.49 1a7cA1 TRP 139 HB3 0.09 0.10 0.13 -0.04 3.23 3.51 1a7cA1 TRP 139 HD1 0.14 -0.01 -0.02 -0.04 7.22 7.28 1a7cA1 TRP 139 HE1 -0.13 0.01 -0.04 -0.04 10.20 10.00 1a7cA1 TRP 139 HE3 0.08 0.04 -0.37 -0.04 7.59 7.30 1a7cA1 TRP 139 HZ2 -0.34 0.07 -0.17 -0.04 7.44 6.96 1a7cA1 TRP 139 HZ3 0.01 -0.03 -0.29 -0.04 7.13 6.78 1a7cA1 TRP 139 HH2 -0.14 0.09 -0.45 -0.04 7.19 6.65 1a7cA1 VAL 140 H 0.30 0.49 -0.20 -0.55 8.24 8.28 1a7cA1 VAL 140 HA 0.16 0.02 0.31 -0.75 4.13 3.87 1a7cA1 VAL 140 HB 0.13 0.08 0.07 -0.04 2.12 2.36 1a7cA1 VAL 140 HG13 0.12 0.01 -0.11 -0.04 0.97 0.95 1a7cA1 VAL 140 HG23 0.35 0.03 -0.07 -0.04 0.95 1.22 1a7cA1 LYS 141 H 0.03 0.45 -0.20 -0.55 8.42 8.14 1a7cA1 LYS 141 HA -0.01 0.12 0.29 -0.75 4.32 3.97 1a7cA1 LYS 141 HB2 -0.00 0.17 0.20 -0.04 1.87 2.20 1a7cA1 LYS 141 HB3 -0.03 0.06 0.16 -0.04 1.79 1.94 1a7cA1 LYS 141 HG2 -0.03 -0.08 -0.15 -0.04 1.46 1.16 1a7cA1 LYS 141 HG3 -0.01 -0.02 -0.13 -0.04 1.46 1.26 1a7cA1 LYS 141 HD2 0.01 0.06 0.02 -0.04 1.69 1.74 1a7cA1 LYS 141 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 1a7cA1 LYS 141 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.89 1a7cA1 LYS 141 HE3 0.00 0.04 -0.04 -0.04 2.99 2.96 1a7cA1 THR 142 H -0.08 0.59 -0.18 -0.55 8.28 8.06 1a7cA1 THR 142 HA -0.18 -0.02 0.37 -0.75 4.39 3.81 1a7cA1 THR 142 HB -0.23 0.16 0.16 -0.04 4.32 4.37 1a7cA1 THR 142 HG23 -0.44 -0.02 -0.12 -0.04 1.22 0.61 1a7cA1 HIS 143 H -0.21 0.52 -0.19 -0.55 8.41 7.99 1a7cA1 HIS 143 HA -0.32 0.11 0.60 -0.75 4.63 4.26 1a7cA1 HIS 143 HB2 -0.78 0.05 0.04 -0.04 3.26 2.53 1a7cA1 HIS 143 HB3 -0.44 -0.03 0.06 -0.04 3.20 2.75 1a7cA1 HIS 143 HD2 -0.31 0.01 -0.04 -0.04 6.97 6.58 1a7cA1 HIS 143 HE1 -0.66 -0.06 -0.02 -0.04 7.75 6.97 1a7cA1 THR 144 H -0.11 0.35 -0.48 -0.55 8.28 7.49 1a7cA1 THR 144 HA 0.04 0.20 0.73 -0.75 4.39 4.61 1a7cA1 THR 144 HB 0.12 -0.06 0.18 -0.04 4.32 4.52 1a7cA1 THR 144 HG23 0.10 0.03 -0.07 -0.04 1.22 1.24 1a7cA1 LYS 145 H -0.27 0.31 -0.31 -0.55 8.42 7.60 1a7cA1 LYS 145 HA -0.24 0.10 0.33 -0.75 4.32 3.76 1a7cA1 LYS 145 HB2 -0.65 0.05 -0.17 -0.04 1.87 1.06 1a7cA1 LYS 145 HB3 -0.31 -0.03 0.16 -0.04 1.79 1.57 1a7cA1 LYS 145 HG2 -0.40 0.08 0.01 -0.04 1.46 1.11 1a7cA1 LYS 145 HG3 -0.91 -0.00 -0.21 -0.04 1.46 0.30 1a7cA1 LYS 145 HD2 -0.87 -0.02 -0.09 -0.04 1.69 0.67 1a7cA1 LYS 145 HD3 -0.32 -0.02 -0.02 -0.04 1.68 1.28 1a7cA1 LYS 145 HE2 -0.25 0.01 -0.03 -0.04 2.99 2.68 1a7cA1 LYS 145 HE3 -0.33 0.02 -0.08 -0.04 2.99 2.55 1a7cA1 GLY 146 H -0.10 0.86 -0.09 -0.55 8.43 8.56 1a7cA1 GLY 146 HA2 -0.04 -0.05 0.18 -0.51 4.01 3.59 1a7cA1 GLY 146 HA3 -0.04 0.06 0.37 -0.51 4.01 3.89 1a7cA1 MET 147 H 0.00 0.59 -0.43 -0.55 8.47 8.08 1a7cA1 MET 147 HA 0.02 0.08 0.47 -0.75 4.52 4.34 1a7cA1 MET 147 HB2 0.11 0.18 0.13 -0.04 2.15 2.53 1a7cA1 MET 147 HB3 0.06 -0.08 -0.05 -0.04 2.03 1.92 1a7cA1 MET 147 HG2 0.04 -0.06 -0.01 -0.04 2.63 2.56 1a7cA1 MET 147 HG3 0.10 0.12 -0.02 -0.04 2.56 2.72 1a7cA1 MET 147 HE3 -0.02 -0.02 -0.09 -0.04 2.10 1.93 1a7cA1 ILE 148 H 0.04 0.19 -0.19 -0.55 8.25 7.74 1a7cA1 ILE 148 HA 0.05 0.12 0.73 -0.75 4.18 4.33 1a7cA1 ILE 148 HB 0.07 0.03 0.06 -0.04 1.89 2.01 1a7cA1 ILE 148 HG12 0.09 -0.02 -0.10 -0.04 1.49 1.41 1a7cA1 ILE 148 HG13 0.10 0.06 0.03 -0.04 1.21 1.36 1a7cA1 ILE 148 HG23 0.07 -0.03 -0.14 -0.04 0.93 0.80 1a7cA1 ILE 148 HD13 0.08 0.02 -0.18 -0.04 0.88 0.75 1a7cA1 SER 149 H 0.03 0.21 -0.11 -0.55 8.46 8.04 1a7cA1 SER 149 HA 0.02 0.21 0.79 -0.75 4.49 4.75 1a7cA1 SER 149 HB2 0.03 -0.03 -0.03 -0.04 3.95 3.87 1a7cA1 SER 149 HB3 0.02 0.11 -0.09 -0.04 3.93 3.93 1a7cA1 ASN 150 H 0.04 0.11 -0.18 -0.55 8.53 7.94 1a7cA1 ASN 150 HA 0.03 0.19 0.73 -0.75 4.76 4.95 1a7cA1 ASN 150 HB2 0.03 0.01 -0.23 -0.04 2.88 2.65 1a7cA1 ASN 150 HB3 0.03 0.01 0.05 -0.04 2.79 2.84 1a7cA1 ASN 150 HD21 0.03 -0.09 -0.10 -0.04 7.03 6.83 1a7cA1 ASN 150 HD22 0.03 0.01 -0.09 -0.04 7.74 7.65 1a7cA1 LEU 151 H 0.04 0.21 -0.23 -0.55 8.37 7.84 1a7cA1 LEU 151 HA 0.05 0.06 0.26 -0.75 4.35 3.96 1a7cA1 LEU 151 HB2 0.07 0.06 -0.01 -0.04 1.64 1.71 1a7cA1 LEU 151 HB3 0.04 -0.06 0.02 -0.04 1.64 1.60 1a7cA1 LEU 151 HG 0.04 -0.01 -0.30 -0.04 1.64 1.33 1a7cA1 LEU 151 HD13 0.07 0.02 0.02 -0.04 0.93 0.99 1a7cA1 LEU 151 HD23 0.08 0.01 -0.07 -0.04 0.89 0.88 1a7cA1 LEU 152 H 0.01 0.08 -0.14 -0.55 8.37 7.77 1a7cA1 LEU 152 HA 0.01 0.11 0.70 -0.75 4.35 4.43 1a7cA1 LEU 152 HB2 -0.00 -0.01 0.08 -0.04 1.64 1.66 1a7cA1 LEU 152 HB3 0.00 0.00 -0.06 -0.04 1.64 1.55 1a7cA1 LEU 152 HG -0.01 -0.05 -0.14 -0.04 1.64 1.41 1a7cA1 LEU 152 HD13 -0.04 -0.00 -0.10 -0.04 0.93 0.74 1a7cA1 LEU 152 HD23 -0.00 0.03 -0.13 -0.04 0.89 0.75 1a7cA1 GLY 153 H 0.02 0.15 0.08 -0.55 8.43 8.13 1a7cA1 GLY 153 HA2 0.02 0.12 0.45 -0.51 4.01 4.09 1a7cA1 GLY 153 HA3 0.02 0.08 0.29 -0.51 4.01 3.89 1a7cA1 LYS 154 H 0.02 0.14 0.12 -0.55 8.42 8.14 1a7cA1 LYS 154 HA 0.02 0.02 0.48 -0.75 4.32 4.07 1a7cA1 LYS 154 HB2 0.01 0.01 0.17 -0.04 1.87 2.03 1a7cA1 LYS 154 HB3 0.01 0.04 -0.00 -0.04 1.79 1.80 1a7cA1 LYS 154 HG2 0.01 -0.03 0.06 -0.04 1.46 1.46 1a7cA1 LYS 154 HG3 0.02 0.01 0.05 -0.04 1.46 1.50 1a7cA1 LYS 154 HD2 0.01 0.03 0.03 -0.04 1.69 1.71 1a7cA1 LYS 154 HD3 0.01 0.02 0.01 -0.04 1.68 1.67 1a7cA1 LYS 154 HE2 0.01 0.02 0.01 -0.04 2.99 2.98 1a7cA1 LYS 154 HE3 0.01 -0.03 0.01 -0.04 2.99 2.94 1a7cA1 GLY 155 H 0.01 0.15 0.19 -0.55 8.43 8.23 1a7cA1 GLY 155 HA2 -0.00 0.01 0.32 -0.51 4.01 3.83 1a7cA1 GLY 155 HA3 0.00 0.17 0.56 -0.51 4.01 4.24 1a7cA1 ALA 156 H 0.00 0.45 -0.41 -0.55 8.40 7.89 1a7cA1 ALA 156 HA -0.01 0.07 0.41 -0.75 4.34 4.06 1a7cA1 ALA 156 HB3 -0.00 -0.01 -0.01 -0.04 1.41 1.35 1a7cA1 VAL 157 H -0.01 0.10 -0.09 -0.55 8.24 7.69 1a7cA1 VAL 157 HA -0.09 0.20 0.78 -0.75 4.13 4.26 1a7cA1 VAL 157 HB 0.02 0.02 0.01 -0.04 2.12 2.13 1a7cA1 VAL 157 HG13 -0.03 0.01 -0.18 -0.04 0.97 0.72 1a7cA1 VAL 157 HG23 0.06 -0.01 -0.11 -0.04 0.95 0.84 1a7cA1 ASP 158 H -0.09 0.20 0.15 -0.55 8.40 8.11 1a7cA1 ASP 158 HA 0.01 0.13 0.53 -0.75 4.63 4.55 1a7cA1 ASP 158 HB2 -0.01 -0.14 0.21 -0.04 2.71 2.73 1a7cA1 ASP 158 HB3 -0.01 0.17 -0.02 -0.04 2.70 2.80 1a7cA1 GLN 159 H 0.00 0.18 0.16 -0.55 8.47 8.27 1a7cA1 GLN 159 HA 0.06 0.22 0.21 -0.75 4.36 4.09 1a7cA1 GLN 159 HB2 0.00 0.03 0.05 -0.04 2.15 2.20 1a7cA1 GLN 159 HB3 0.02 0.00 0.13 -0.04 2.02 2.13 1a7cA1 GLN 159 HG2 0.03 0.01 0.13 -0.04 2.40 2.53 1a7cA1 GLN 159 HG3 0.01 -0.04 0.17 -0.04 2.39 2.49 1a7cA1 GLN 159 HE21 0.01 0.02 0.07 -0.04 6.97 7.02 1a7cA1 GLN 159 HE22 0.01 -0.03 0.08 -0.04 7.69 7.71 1a7cA1 LEU 160 H -0.04 -0.01 -0.35 -0.55 8.37 7.41 1a7cA1 LEU 160 HA -0.05 0.20 0.63 -0.75 4.35 4.38 1a7cA1 LEU 160 HB2 -0.06 -0.03 -0.02 -0.04 1.64 1.49 1a7cA1 LEU 160 HB3 -0.06 0.06 0.07 -0.04 1.64 1.67 1a7cA1 LEU 160 HG -0.02 -0.11 -0.06 -0.04 1.64 1.41 1a7cA1 LEU 160 HD13 -0.02 0.01 -0.02 -0.04 0.93 0.87 1a7cA1 LEU 160 HD23 -0.02 0.03 -0.07 -0.04 0.89 0.79 1a7cA1 THR 161 H -0.16 0.25 -0.29 -0.55 8.28 7.53 1a7cA1 THR 161 HA -0.35 0.06 0.48 -0.75 4.39 3.83 1a7cA1 THR 161 HB -0.71 0.11 0.09 -0.04 4.32 3.77 1a7cA1 THR 161 HG23 -0.95 0.00 -0.11 -0.04 1.22 0.12 1a7cA1 ARG 162 H -0.41 0.03 0.26 -0.55 8.46 7.79 1a7cA1 ARG 162 HA -0.12 0.13 0.94 -0.75 4.34 4.54 1a7cA1 ARG 162 HB2 -0.23 0.02 0.06 -0.04 1.90 1.70 1a7cA1 ARG 162 HB3 -0.12 -0.04 0.06 -0.04 1.80 1.66 1a7cA1 ARG 162 HG2 -0.15 0.19 -0.42 -0.04 1.67 1.24 1a7cA1 ARG 162 HG3 -0.13 0.04 -0.08 -0.04 1.67 1.46 1a7cA1 ARG 162 HD2 -0.05 -0.06 -0.03 -0.04 3.22 3.05 1a7cA1 ARG 162 HD3 -0.02 -0.02 0.03 -0.04 3.22 3.17 1a7cA1 LEU 163 H -0.37 0.05 0.21 -0.55 8.37 7.72 1a7cA1 LEU 163 HA -0.02 0.33 0.91 -0.75 4.35 4.82 1a7cA1 LEU 163 HB2 -0.15 0.07 -0.20 -0.04 1.64 1.32 1a7cA1 LEU 163 HB3 -0.23 -0.06 0.02 -0.04 1.64 1.32 1a7cA1 LEU 163 HG -0.07 -0.03 -0.37 -0.04 1.64 1.13 1a7cA1 LEU 163 HD13 -0.09 0.03 -0.09 -0.04 0.93 0.75 1a7cA1 LEU 163 HD23 -0.04 0.00 -0.11 -0.04 0.89 0.70 1a7cA1 VAL 164 H 0.08 0.67 0.28 -0.55 8.24 8.73 1a7cA1 VAL 164 HA -0.04 0.16 0.91 -0.75 4.13 4.41 1a7cA1 VAL 164 HB 0.17 -0.04 0.07 -0.04 2.12 2.28 1a7cA1 VAL 164 HG13 0.00 0.01 -0.16 -0.04 0.97 0.78 1a7cA1 VAL 164 HG23 -0.04 -0.01 -0.21 -0.04 0.95 0.65 1a7cA1 LEU 165 H -0.01 0.21 0.15 -0.55 8.37 8.18 1a7cA1 LEU 165 HA -0.03 0.27 1.07 -0.75 4.35 4.91 1a7cA1 LEU 165 HB2 -0.01 -0.03 0.13 -0.04 1.64 1.69 1a7cA1 LEU 165 HB3 -0.04 0.07 0.04 -0.04 1.64 1.68 1a7cA1 LEU 165 HG -0.01 -0.08 -0.16 -0.04 1.64 1.35 1a7cA1 LEU 165 HD13 0.00 0.01 -0.12 -0.04 0.93 0.78 1a7cA1 LEU 165 HD23 -0.04 0.02 -0.10 -0.04 0.89 0.72 1a7cA1 VAL 166 H -0.04 0.67 0.31 -0.55 8.24 8.64 1a7cA1 VAL 166 HA 0.05 0.17 0.87 -0.75 4.13 4.47 1a7cA1 VAL 166 HB 0.18 0.06 -0.08 -0.04 2.12 2.24 1a7cA1 VAL 166 HG13 0.07 -0.02 -0.27 -0.04 0.97 0.70 1a7cA1 VAL 166 HG23 0.01 -0.00 -0.17 -0.04 0.95 0.75 1a7cA1 ASN 167 H 0.09 0.24 0.18 -0.55 8.53 8.49 1a7cA1 ASN 167 HA 0.12 0.30 0.97 -0.75 4.76 5.40 1a7cA1 ASN 167 HB2 -0.01 -0.02 -0.03 -0.04 2.88 2.79 1a7cA1 ASN 167 HB3 0.02 -0.03 0.15 -0.04 2.79 2.88 1a7cA1 ASN 167 HD21 0.10 -0.01 -0.17 -0.04 7.03 6.91 1a7cA1 ASN 167 HD22 0.03 0.01 -0.15 -0.04 7.74 7.59 1a7cA1 ALA 168 H 0.23 0.80 0.28 -0.55 8.40 9.17 1a7cA1 ALA 168 HA 0.17 0.10 0.89 -0.75 4.34 4.75 1a7cA1 ALA 168 HB3 0.09 0.01 -0.01 -0.04 1.41 1.46 1a7cA1 LEU 169 H 0.16 0.21 0.15 -0.55 8.37 8.34 1a7cA1 LEU 169 HA 0.15 0.34 1.13 -0.75 4.35 5.22 1a7cA1 LEU 169 HB2 0.12 -0.06 -0.08 -0.04 1.64 1.58 1a7cA1 LEU 169 HB3 0.14 -0.04 0.12 -0.04 1.64 1.83 1a7cA1 LEU 169 HG 0.19 0.01 -0.24 -0.04 1.64 1.56 1a7cA1 LEU 169 HD13 0.05 0.04 -0.04 -0.04 0.93 0.93 1a7cA1 LEU 169 HD23 -0.34 -0.04 -0.04 -0.04 0.89 0.43 1a7cA1 TYR 170 H 0.23 0.69 0.37 -0.55 8.29 9.03 1a7cA1 TYR 170 HA 0.14 0.11 0.91 -0.75 4.56 4.97 1a7cA1 TYR 170 HB2 0.03 0.04 -0.05 -0.04 3.06 3.04 1a7cA1 TYR 170 HB3 0.02 0.02 0.09 -0.04 2.98 3.06 1a7cA1 TYR 170 HD2 -0.02 -0.00 -0.17 -0.04 7.15 6.92 1a7cA1 TYR 170 HE2 -0.08 -0.01 -0.13 -0.04 6.85 6.59 1a7cA1 PHE 171 H -0.39 0.25 0.16 -0.55 8.34 7.81 1a7cA1 PHE 171 HA -0.25 0.43 1.01 -0.75 4.62 5.05 1a7cA1 PHE 171 HB2 0.11 0.00 -0.11 -0.04 3.15 3.12 1a7cA1 PHE 171 HB3 -0.10 -0.04 0.05 -0.04 3.06 2.93 1a7cA1 PHE 171 HD2 -0.22 0.14 -0.07 -0.04 7.28 7.08 1a7cA1 PHE 171 HE2 -0.38 0.00 -0.17 -0.04 7.38 6.78 1a7cA1 PHE 171 HZ -1.66 -0.05 -0.15 -0.04 7.32 5.42 1a7cA1 ASN 172 H -0.57 0.74 0.19 -0.55 8.53 8.34 1a7cA1 ASN 172 HA -0.78 0.13 0.87 -0.75 4.76 4.22 1a7cA1 ASN 172 HB2 -0.39 0.04 -0.11 -0.04 2.88 2.38 1a7cA1 ASN 172 HB3 -0.21 -0.03 0.17 -0.04 2.79 2.69 1a7cA1 ASN 172 HD21 -0.07 -0.09 -0.01 -0.04 7.03 6.82 1a7cA1 ASN 172 HD22 0.01 0.04 -0.01 -0.04 7.74 7.74 1a7cA1 GLY 173 H -1.05 0.23 0.11 -0.55 8.43 7.18 1a7cA1 GLY 173 HA2 -0.36 0.16 1.04 -0.51 4.01 4.34 1a7cA1 GLY 173 HA3 -0.90 0.04 0.24 -0.51 4.01 2.88 1a7cA1 GLN 174 H 0.09 0.19 0.20 -0.55 8.47 8.40 1a7cA1 GLN 174 HA -0.23 0.09 0.91 -0.75 4.36 4.37 1a7cA1 GLN 174 HB2 -0.22 0.02 -0.07 -0.04 2.15 1.84 1a7cA1 GLN 174 HB3 -0.43 -0.02 0.10 -0.04 2.02 1.64 1a7cA1 GLN 174 HG2 -0.28 0.04 0.00 -0.04 2.40 2.11 1a7cA1 GLN 174 HG3 -0.13 0.26 -0.15 -0.04 2.39 2.33 1a7cA1 GLN 174 HE21 0.02 -0.04 0.11 -0.04 6.97 7.02 1a7cA1 GLN 174 HE22 -0.05 0.06 0.04 -0.04 7.69 7.70 1a7cA1 TRP 175 H -0.10 0.11 0.12 -0.55 7.97 7.55 1a7cA1 TRP 175 HA 0.02 0.12 0.48 -0.75 4.62 4.49 1a7cA1 TRP 175 HB2 0.02 -0.02 -0.11 -0.04 3.23 3.08 1a7cA1 TRP 175 HB3 -0.04 0.07 -0.16 -0.04 3.23 3.06 1a7cA1 TRP 175 HD1 0.16 0.22 0.04 -0.04 7.22 7.60 1a7cA1 TRP 175 HE1 0.14 0.58 0.11 -0.04 10.20 10.98 1a7cA1 TRP 175 HE3 -0.37 0.13 -0.17 -0.04 7.59 7.13 1a7cA1 TRP 175 HZ2 0.02 -0.02 -0.05 -0.04 7.44 7.35 1a7cA1 TRP 175 HZ3 -0.54 0.07 -0.09 -0.04 7.13 6.53 1a7cA1 TRP 175 HH2 0.05 -0.02 -0.07 -0.04 7.19 7.10 1a7cA1 LYS 176 H 0.27 0.57 0.18 -0.55 8.42 8.89 1a7cA1 LYS 176 HA 0.20 0.02 0.41 -0.75 4.32 4.20 1a7cA1 LYS 176 HB2 0.14 0.02 -0.32 -0.04 1.87 1.66 1a7cA1 LYS 176 HB3 0.07 0.02 -0.03 -0.04 1.79 1.81 1a7cA1 LYS 176 HG2 0.06 -0.00 -0.04 -0.04 1.46 1.43 1a7cA1 LYS 176 HG3 0.11 0.02 0.02 -0.04 1.46 1.57 1a7cA1 LYS 176 HD2 0.07 0.00 -0.07 -0.04 1.69 1.65 1a7cA1 LYS 176 HD3 0.03 -0.00 -0.04 -0.04 1.68 1.62 1a7cA1 LYS 176 HE2 0.03 -0.03 -0.01 -0.04 2.99 2.95 1a7cA1 LYS 176 HE3 0.05 0.05 -0.01 -0.04 2.99 3.05 1a7cA1 THR 177 H 0.07 0.11 -0.21 -0.55 8.28 7.70 1a7cA1 THR 177 HA -0.00 0.17 0.69 -0.75 4.39 4.50 1a7cA1 THR 177 HB -0.13 0.06 0.05 -0.04 4.32 4.25 1a7cA1 THR 177 HG23 -0.06 -0.02 -0.15 -0.04 1.22 0.96 1a7cA1 PRO 178 HA 0.18 0.06 0.55 -0.51 4.44 4.72 1a7cA1 PRO 178 HB2 0.15 0.08 0.01 -0.04 2.28 2.47 1a7cA1 PRO 178 HB3 0.22 -0.09 0.22 -0.04 2.02 2.32 1a7cA1 PRO 178 HG2 0.03 -0.01 -0.01 -0.04 2.03 2.01 1a7cA1 PRO 178 HG3 0.06 0.01 0.04 -0.04 2.03 2.09 1a7cA1 PRO 178 HD2 0.02 0.12 0.12 -0.04 3.68 3.89 1a7cA1 PRO 178 HD3 0.10 0.22 -0.12 -0.04 3.65 3.81 1a7cA1 PHE 179 H 0.37 0.42 0.31 -0.55 8.34 8.88 1a7cA1 PHE 179 HA -0.05 0.19 0.72 -0.75 4.62 4.73 1a7cA1 PHE 179 HB2 -0.02 -0.13 0.13 -0.04 3.15 3.09 1a7cA1 PHE 179 HB3 -0.05 0.04 -0.03 -0.04 3.06 2.97 1a7cA1 PHE 179 HD2 -0.19 0.05 -0.16 -0.04 7.28 6.93 1a7cA1 PHE 179 HE2 -0.88 0.00 -0.14 -0.04 7.38 6.32 1a7cA1 PHE 179 HZ -0.54 -0.01 -0.12 -0.04 7.32 6.60 1a7cA1 PRO 180 HA 0.05 0.02 0.47 -0.51 4.44 4.47 1a7cA1 PRO 180 HB2 0.05 -0.11 0.18 -0.04 2.28 2.36 1a7cA1 PRO 180 HB3 0.03 0.01 0.14 -0.04 2.02 2.16 1a7cA1 PRO 180 HG2 0.01 0.03 0.20 -0.04 2.03 2.24 1a7cA1 PRO 180 HG3 0.00 0.08 0.16 -0.04 2.03 2.23 1a7cA1 PRO 180 HD2 0.09 0.35 0.35 -0.04 3.68 4.44 1a7cA1 PRO 180 HD3 -0.02 0.23 0.42 -0.04 3.65 4.25 1a7cA1 ASP 181 H 0.05 0.16 0.23 -0.55 8.40 8.30 1a7cA1 ASP 181 HA 0.05 0.08 0.39 -0.75 4.63 4.39 1a7cA1 ASP 181 HB2 0.04 0.02 0.19 -0.04 2.71 2.92 1a7cA1 ASP 181 HB3 0.03 0.01 0.04 -0.04 2.70 2.74 1a7cA1 SER 182 H 0.04 0.01 -0.26 -0.55 8.46 7.70 1a7cA1 SER 182 HA 0.04 0.11 0.40 -0.75 4.49 4.29 1a7cA1 SER 182 HB2 0.03 0.04 0.04 -0.04 3.95 4.02 1a7cA1 SER 182 HB3 0.03 -0.04 0.07 -0.04 3.93 3.95 1a7cA1 SER 183 H 0.05 0.31 -0.27 -0.55 8.46 8.00 1a7cA1 SER 183 HA 0.08 0.07 0.48 -0.75 4.49 4.37 1a7cA1 SER 183 HB2 0.06 0.16 0.15 -0.04 3.95 4.28 1a7cA1 SER 183 HB3 0.03 -0.05 0.12 -0.04 3.93 3.99 1a7cA1 THR 184 H 0.03 0.25 -0.40 -0.55 8.28 7.61 1a7cA1 THR 184 HA -0.12 0.33 0.75 -0.75 4.39 4.61 1a7cA1 THR 184 HB 0.00 0.06 0.12 -0.04 4.32 4.47 1a7cA1 THR 184 HG23 -0.04 -0.03 -0.29 -0.04 1.22 0.82 1a7cA1 HIS 185 H -0.25 0.54 0.36 -0.55 8.41 8.51 1a7cA1 HIS 185 HA 0.00 0.02 0.48 -0.75 4.63 4.38 1a7cA1 HIS 185 HB2 0.01 -0.10 0.13 -0.04 3.26 3.26 1a7cA1 HIS 185 HB3 0.01 0.15 -0.09 -0.04 3.20 3.22 1a7cA1 HIS 185 HD2 0.01 0.26 -0.34 -0.04 6.97 6.86 1a7cA1 HIS 185 HE1 0.01 -0.05 -0.05 -0.04 7.75 7.62 1a7cA1 ARG 186 H 0.13 0.08 0.10 -0.55 8.46 8.22 1a7cA1 ARG 186 HA 0.05 0.21 0.34 -0.75 4.34 4.19 1a7cA1 ARG 186 HB2 0.06 -0.03 0.06 -0.04 1.90 1.94 1a7cA1 ARG 186 HB3 0.04 -0.00 -0.15 -0.04 1.80 1.65 1a7cA1 ARG 186 HG2 0.03 0.00 -0.26 -0.04 1.67 1.40 1a7cA1 ARG 186 HG3 0.04 -0.04 -0.01 -0.04 1.67 1.62 1a7cA1 ARG 186 HD2 0.02 -0.02 -0.04 -0.04 3.22 3.14 1a7cA1 ARG 186 HD3 0.02 0.02 -0.13 -0.04 3.22 3.09 1a7cA1 ARG 187 H 0.05 0.71 0.38 -0.55 8.46 9.05 1a7cA1 ARG 187 HA 0.08 0.09 0.68 -0.75 4.34 4.43 1a7cA1 ARG 187 HB2 0.04 0.03 -0.05 -0.04 1.90 1.89 1a7cA1 ARG 187 HB3 0.06 -0.03 0.08 -0.04 1.80 1.87 1a7cA1 ARG 187 HG2 0.18 0.04 -0.08 -0.04 1.67 1.76 1a7cA1 ARG 187 HG3 0.01 0.14 -0.40 -0.04 1.67 1.38 1a7cA1 ARG 187 HD2 -0.02 -0.01 -0.11 -0.04 3.22 3.04 1a7cA1 ARG 187 HD3 0.05 -0.05 -0.05 -0.04 3.22 3.13 1a7cA1 LEU 188 H 0.03 0.11 0.14 -0.55 8.37 8.11 1a7cA1 LEU 188 HA -0.02 0.23 0.78 -0.75 4.35 4.60 1a7cA1 LEU 188 HB2 -0.07 -0.01 0.11 -0.04 1.64 1.62 1a7cA1 LEU 188 HB3 -0.22 0.05 -0.01 -0.04 1.64 1.42 1a7cA1 LEU 188 HG 0.01 -0.03 0.02 -0.04 1.64 1.59 1a7cA1 LEU 188 HD13 0.02 -0.00 -0.04 -0.04 0.93 0.87 1a7cA1 LEU 188 HD23 -0.00 -0.01 -0.22 -0.04 0.89 0.61 1a7cA1 PHE 189 H 0.04 0.69 0.45 -0.55 8.34 8.96 1a7cA1 PHE 189 HA -0.08 0.19 0.81 -0.75 4.62 4.79 1a7cA1 PHE 189 HB2 -0.01 0.03 -0.05 -0.04 3.15 3.08 1a7cA1 PHE 189 HB3 -0.04 -0.12 0.08 -0.04 3.06 2.94 1a7cA1 PHE 189 HD2 0.04 -0.02 -0.25 -0.04 7.28 7.00 1a7cA1 PHE 189 HE2 0.15 0.15 -0.26 -0.04 7.38 7.38 1a7cA1 PHE 189 HZ 0.02 0.06 -0.50 -0.04 7.32 6.86 1a7cA1 HIS 190 H -0.45 0.88 0.24 -0.55 8.41 8.54 1a7cA1 HIS 190 HA -0.03 0.15 1.04 -0.75 4.63 5.05 1a7cA1 HIS 190 HB2 -0.19 0.05 0.27 -0.04 3.26 3.36 1a7cA1 HIS 190 HB3 -0.08 0.04 0.07 -0.04 3.20 3.18 1a7cA1 HIS 190 HD2 -0.02 0.04 -0.06 -0.04 6.97 6.89 1a7cA1 HIS 190 HE1 -0.03 -0.02 -0.03 -0.04 7.75 7.62 1a7cA1 LYS 191 H 0.10 0.38 0.17 -0.55 8.42 8.51 1a7cA1 LYS 191 HA 0.16 0.19 0.59 -0.75 4.32 4.50 1a7cA1 LYS 191 HB2 0.09 -0.07 0.05 -0.04 1.87 1.89 1a7cA1 LYS 191 HB3 0.10 -0.11 0.14 -0.04 1.79 1.88 1a7cA1 LYS 191 HG2 0.25 0.24 0.08 -0.04 1.46 1.99 1a7cA1 LYS 191 HG3 0.29 0.02 -0.09 -0.04 1.46 1.63 1a7cA1 LYS 191 HD2 0.07 -0.02 -0.06 -0.04 1.69 1.64 1a7cA1 LYS 191 HD3 0.08 -0.06 -0.13 -0.04 1.68 1.53 1a7cA1 LYS 191 HE2 0.06 -0.09 0.01 -0.04 2.99 2.92 1a7cA1 LYS 191 HE3 0.05 0.07 -0.01 -0.04 2.99 3.07 1a7cA1 SER 192 H 0.07 0.19 0.24 -0.55 8.46 8.42 1a7cA1 SER 192 HA 0.01 0.20 0.47 -0.75 4.49 4.41 1a7cA1 SER 192 HB2 0.00 0.01 0.12 -0.04 3.95 4.04 1a7cA1 SER 192 HB3 0.02 0.03 0.22 -0.04 3.93 4.16 1a7cA1 ASP 193 H 0.03 0.05 -0.16 -0.55 8.40 7.78 1a7cA1 ASP 193 HA 0.01 0.15 0.51 -0.75 4.63 4.54 1a7cA1 ASP 193 HB2 0.01 0.03 0.15 -0.04 2.71 2.86 1a7cA1 ASP 193 HB3 0.02 0.01 0.10 -0.04 2.70 2.78 1a7cA1 GLY 194 H 0.03 0.44 -0.66 -0.55 8.43 7.70 1a7cA1 GLY 194 HA2 0.03 0.09 0.28 -0.51 4.01 3.89 1a7cA1 GLY 194 HA3 0.02 0.10 0.67 -0.51 4.01 4.29 1a7cA1 SER 195 H 0.04 -0.08 -0.34 -0.55 8.46 7.53 1a7cA1 SER 195 HA 0.04 0.12 0.48 -0.75 4.49 4.38 1a7cA1 SER 195 HB2 0.03 0.02 0.10 -0.04 3.95 4.06 1a7cA1 SER 195 HB3 0.03 0.02 0.02 -0.04 3.93 3.96 1a7cA1 THR 196 H 0.03 0.19 0.21 -0.55 8.28 8.17 1a7cA1 THR 196 HA -0.00 0.34 1.11 -0.75 4.39 5.08 1a7cA1 THR 196 HB 0.01 -0.07 0.07 -0.04 4.32 4.29 1a7cA1 THR 196 HG23 -0.17 0.02 -0.08 -0.04 1.22 0.94 1a7cA1 VAL 197 H 0.04 0.63 0.36 -0.55 8.24 8.72 1a7cA1 VAL 197 HA 0.02 0.15 0.87 -0.75 4.13 4.42 1a7cA1 VAL 197 HB 0.01 0.03 0.04 -0.04 2.12 2.16 1a7cA1 VAL 197 HG13 0.03 -0.01 -0.15 -0.04 0.97 0.80 1a7cA1 VAL 197 HG23 0.06 0.01 -0.09 -0.04 0.95 0.90 1a7cA1 SER 198 H 0.01 0.17 0.13 -0.55 8.46 8.23 1a7cA1 SER 198 HA 0.02 0.24 0.76 -0.75 4.49 4.76 1a7cA1 SER 198 HB2 0.01 -0.01 -0.04 -0.04 3.95 3.87 1a7cA1 SER 198 HB3 0.01 -0.03 0.15 -0.04 3.93 4.02 1a7cA1 VAL 199 H 0.04 0.75 0.31 -0.55 8.24 8.79 1a7cA1 VAL 199 HA 0.00 0.19 0.97 -0.75 4.13 4.54 1a7cA1 VAL 199 HB -0.02 0.13 0.07 -0.04 2.12 2.25 1a7cA1 VAL 199 HG13 -0.06 -0.05 -0.27 -0.04 0.97 0.55 1a7cA1 VAL 199 HG23 0.01 0.01 -0.14 -0.04 0.95 0.80 1a7cA1 PRO 200 HA 0.00 0.03 0.23 -0.51 4.44 4.19 1a7cA1 PRO 200 HB2 -0.02 0.01 0.07 -0.04 2.28 2.30 1a7cA1 PRO 200 HB3 -0.01 0.03 -0.02 -0.04 2.02 1.98 1a7cA1 PRO 200 HG2 -0.00 0.05 0.07 -0.04 2.03 2.10 1a7cA1 PRO 200 HG3 0.00 0.01 0.03 -0.04 2.03 2.03 1a7cA1 PRO 200 HD2 -0.00 0.18 0.23 -0.04 3.68 4.05 1a7cA1 PRO 200 HD3 -0.00 0.13 0.26 -0.04 3.65 3.99 1a7cA1 MET 201 H -0.07 0.53 0.21 -0.55 8.47 8.59 1a7cA1 MET 201 HA -0.06 0.06 0.86 -0.75 4.52 4.63 1a7cA1 MET 201 HB2 -0.09 0.07 0.03 -0.04 2.15 2.12 1a7cA1 MET 201 HB3 -0.07 0.02 -0.24 -0.04 2.03 1.70 1a7cA1 MET 201 HG2 0.04 -0.02 -0.23 -0.04 2.63 2.37 1a7cA1 MET 201 HG3 0.03 0.09 -0.33 -0.04 2.56 2.31 1a7cA1 MET 201 HE3 0.19 0.06 -0.26 -0.04 2.10 2.05 1a7cA1 MET 202 H -0.20 0.70 0.18 -0.55 8.47 8.61 1a7cA1 MET 202 HA -0.14 0.06 0.60 -0.75 4.52 4.28 1a7cA1 MET 202 HB2 -0.87 0.05 -0.02 -0.04 2.15 1.27 1a7cA1 MET 202 HB3 -0.52 -0.03 -0.02 -0.04 2.03 1.42 1a7cA1 MET 202 HG2 -0.20 -0.05 -0.11 -0.04 2.63 2.23 1a7cA1 MET 202 HG3 -0.27 0.06 -0.07 -0.04 2.56 2.24 1a7cA1 MET 202 HE3 -0.55 0.03 -0.25 -0.04 2.10 1.29 1a7cA1 ALA 203 H 0.06 0.20 0.07 -0.55 8.40 8.17 1a7cA1 ALA 203 HA 0.08 0.41 1.01 -0.75 4.34 5.08 1a7cA1 ALA 203 HB3 -0.01 -0.00 -0.07 -0.04 1.41 1.28 1a7cA1 GLN 204 H 0.13 0.63 0.25 -0.55 8.47 8.94 1a7cA1 GLN 204 HA 0.03 0.06 0.06 -0.75 4.36 3.75 1a7cA1 GLN 204 HB2 -0.16 0.02 -0.24 -0.04 2.15 1.73 1a7cA1 GLN 204 HB3 -0.06 -0.03 -0.01 -0.04 2.02 1.88 1a7cA1 GLN 204 HG2 -0.13 0.02 0.68 -0.04 2.40 2.94 1a7cA1 GLN 204 HG3 -0.18 0.01 2.66 -0.04 2.39 4.84 1a7cA1 GLN 204 HE21 -1.17 0.12 -0.05 -0.04 6.97 5.83 1a7cA1 GLN 204 HE22 -1.74 -0.12 -0.12 -0.04 7.69 5.67 1a7cA1 THR 205 H -0.03 0.20 0.50 -0.55 8.28 8.40 1a7cA1 THR 205 HA 0.03 0.30 1.18 -0.75 4.39 5.14 1a7cA1 THR 205 HB -0.04 -0.04 0.22 -0.04 4.32 4.42 1a7cA1 THR 205 HG23 -0.05 0.00 -0.10 -0.04 1.22 1.04 1a7cA1 ASN 206 H -0.20 0.69 0.42 -0.55 8.53 8.90 1a7cA1 ASN 206 HA -0.29 0.04 0.43 -0.75 4.76 4.19 1a7cA1 ASN 206 HB2 -0.48 0.10 -0.44 -0.04 2.88 2.01 1a7cA1 ASN 206 HB3 -1.58 0.02 -0.19 -0.04 2.79 1.00 1a7cA1 ASN 206 HD21 -0.27 -0.02 -0.01 -0.04 7.03 6.70 1a7cA1 ASN 206 HD22 -0.50 0.01 -0.07 -0.04 7.74 7.13 1a7cA1 LYS 207 H -0.34 0.17 0.08 -0.55 8.42 7.78 1a7cA1 LYS 207 HA -0.16 0.18 0.50 -0.75 4.32 4.09 1a7cA1 LYS 207 HB2 -0.14 -0.02 0.13 -0.04 1.87 1.80 1a7cA1 LYS 207 HB3 -0.08 0.03 -0.17 -0.04 1.79 1.53 1a7cA1 LYS 207 HG2 -0.08 0.02 -0.14 -0.04 1.46 1.21 1a7cA1 LYS 207 HG3 -0.12 -0.05 -0.06 -0.04 1.46 1.19 1a7cA1 LYS 207 HD2 -0.06 -0.02 -0.03 -0.04 1.69 1.54 1a7cA1 LYS 207 HD3 -0.04 0.07 -0.10 -0.04 1.68 1.57 1a7cA1 LYS 207 HE2 -0.06 -0.02 -0.03 -0.04 2.99 2.84 1a7cA1 LYS 207 HE3 -0.04 -0.01 -0.02 -0.04 2.99 2.89 1a7cA1 PHE 208 H 0.02 0.54 0.23 -0.55 8.34 8.58 1a7cA1 PHE 208 HA -0.04 0.15 0.91 -0.75 4.62 4.88 1a7cA1 PHE 208 HB2 -0.01 0.01 0.01 -0.04 3.15 3.12 1a7cA1 PHE 208 HB3 -0.02 0.11 0.05 -0.04 3.06 3.16 1a7cA1 PHE 208 HD2 -0.10 0.06 0.03 -0.04 7.28 7.22 1a7cA1 PHE 208 HE2 -0.21 0.05 -0.05 -0.04 7.38 7.13 1a7cA1 PHE 208 HZ -0.27 -0.01 -0.12 -0.04 7.32 6.88 1a7cA1 ASN 209 H 0.16 0.19 0.20 -0.55 8.53 8.53 1a7cA1 ASN 209 HA 0.12 0.06 0.29 -0.75 4.76 4.48 1a7cA1 ASN 209 HB2 0.07 -0.01 0.18 -0.04 2.88 3.08 1a7cA1 ASN 209 HB3 0.10 0.02 -0.04 -0.04 2.79 2.83 1a7cA1 ASN 209 HD21 0.06 0.02 -0.05 -0.04 7.03 7.02 1a7cA1 ASN 209 HD22 0.06 -0.03 -0.03 -0.04 7.74 7.70 1a7cA1 TYR 210 H 0.19 0.61 0.41 -0.55 8.29 8.96 1a7cA1 TYR 210 HA 0.03 0.21 0.91 -0.75 4.56 4.96 1a7cA1 TYR 210 HB2 0.05 -0.01 -0.12 -0.04 3.06 2.93 1a7cA1 TYR 210 HB3 0.05 0.06 0.10 -0.04 2.98 3.15 1a7cA1 TYR 210 HD2 -0.00 -0.01 -0.15 -0.04 7.15 6.95 1a7cA1 TYR 210 HE2 -0.00 -0.06 -0.09 -0.04 6.85 6.64 1a7cA1 THR 211 H -0.92 0.57 0.38 -0.55 8.28 7.76 1a7cA1 THR 211 HA -0.23 0.10 0.50 -0.75 4.39 4.00 1a7cA1 THR 211 HB 0.01 0.12 -0.29 -0.04 4.32 4.12 1a7cA1 THR 211 HG23 -0.15 -0.01 -0.22 -0.04 1.22 0.81 1a7cA1 GLU 212 H -0.08 0.25 0.15 -0.55 8.60 8.37 1a7cA1 GLU 212 HA -0.26 0.28 1.11 -0.75 4.29 4.67 1a7cA1 GLU 212 HB2 0.01 -0.01 -0.07 -0.04 2.09 1.97 1a7cA1 GLU 212 HB3 -0.02 -0.03 0.13 -0.04 1.99 2.02 1a7cA1 GLU 212 HG2 -0.02 0.02 -0.20 -0.04 2.34 2.10 1a7cA1 GLU 212 HG3 -0.00 0.11 -0.06 -0.04 2.34 2.35 1a7cA1 PHE 213 H -0.42 0.39 0.21 -0.55 8.34 7.97 1a7cA1 PHE 213 HA -0.15 0.21 0.89 -0.75 4.62 4.81 1a7cA1 PHE 213 HB2 -1.06 -0.00 -0.03 -0.04 3.15 2.02 1a7cA1 PHE 213 HB3 -0.15 0.04 0.00 -0.04 3.06 2.91 1a7cA1 PHE 213 HD2 0.08 -0.08 -0.38 -0.04 7.28 6.86 1a7cA1 PHE 213 HE2 0.17 0.01 -0.13 -0.04 7.38 7.39 1a7cA1 PHE 213 HZ 0.22 0.13 -0.32 -0.04 7.32 7.31 1a7cA1 THR 214 H 0.07 0.25 0.13 -0.55 8.28 8.19 1a7cA1 THR 214 HA 0.21 0.26 0.82 -0.75 4.39 4.93 1a7cA1 THR 214 HB 0.08 0.02 -0.13 -0.04 4.32 4.24 1a7cA1 THR 214 HG23 0.16 -0.01 -0.27 -0.04 1.22 1.05 1a7cA1 THR 215 H 0.26 0.54 0.19 -0.55 8.28 8.72 1a7cA1 THR 215 HA 0.26 0.18 0.57 -0.75 4.39 4.65 1a7cA1 THR 215 HB 0.12 0.07 0.11 -0.04 4.32 4.57 1a7cA1 THR 215 HG23 0.17 0.06 -0.08 -0.04 1.22 1.33 1a7cA1 PRO 216 HA 0.04 0.11 0.39 -0.51 4.44 4.47 1a7cA1 PRO 216 HB2 0.03 0.01 0.03 -0.04 2.28 2.31 1a7cA1 PRO 216 HB3 0.03 0.04 0.09 -0.04 2.02 2.13 1a7cA1 PRO 216 HG2 0.06 0.07 0.08 -0.04 2.03 2.20 1a7cA1 PRO 216 HG3 0.08 0.07 0.09 -0.04 2.03 2.22 1a7cA1 PRO 216 HD2 0.08 0.11 0.19 -0.04 3.68 4.02 1a7cA1 PRO 216 HD3 0.14 0.18 0.24 -0.04 3.65 4.17 1a7cA1 ASP 217 H 0.01 0.06 -0.39 -0.55 8.40 7.52 1a7cA1 ASP 217 HA -0.06 0.22 0.72 -0.75 4.63 4.76 1a7cA1 ASP 217 HB2 -0.07 0.02 0.14 -0.04 2.71 2.75 1a7cA1 ASP 217 HB3 -0.01 0.01 0.00 -0.04 2.70 2.66 1a7cA1 GLY 218 H -0.07 0.56 -0.43 -0.55 8.43 7.95 1a7cA1 GLY 218 HA2 -0.10 0.05 0.20 -0.51 4.01 3.65 1a7cA1 GLY 218 HA3 -0.21 0.13 0.50 -0.51 4.01 3.92 1a7cA1 HIS 219 H -0.11 0.04 -0.04 -0.55 8.41 7.74 1a7cA1 HIS 219 HA -0.35 0.19 0.93 -0.75 4.63 4.64 1a7cA1 HIS 219 HB2 0.03 -0.06 0.07 -0.04 3.26 3.25 1a7cA1 HIS 219 HB3 -0.02 0.05 0.03 -0.04 3.20 3.22 1a7cA1 HIS 219 HD2 -0.00 -0.04 -0.07 -0.04 6.97 6.82 1a7cA1 HIS 219 HE1 -0.04 0.00 -0.05 -0.04 7.75 7.62 1a7cA1 TYR 220 H -0.75 0.12 0.21 -0.55 8.29 7.32 1a7cA1 TYR 220 HA 0.13 0.33 0.91 -0.75 4.56 5.17 1a7cA1 TYR 220 HB2 0.02 -0.01 -0.01 -0.04 3.06 3.01 1a7cA1 TYR 220 HB3 -0.01 0.10 0.05 -0.04 2.98 3.08 1a7cA1 TYR 220 HD2 0.00 -0.03 0.01 -0.04 7.15 7.09 1a7cA1 TYR 220 HE2 -0.01 -0.01 0.03 -0.04 6.85 6.82 1a7cA1 TYR 221 H 0.03 0.69 0.32 -0.55 8.29 8.77 1a7cA1 TYR 221 HA 0.17 0.02 0.79 -0.75 4.56 4.79 1a7cA1 TYR 221 HB2 0.04 0.13 -0.29 -0.04 3.06 2.90 1a7cA1 TYR 221 HB3 0.11 -0.04 -0.27 -0.04 2.98 2.74 1a7cA1 TYR 221 HD2 -0.04 0.11 -0.33 -0.04 7.15 6.85 1a7cA1 TYR 221 HE2 -0.10 0.02 -0.37 -0.04 6.85 6.36 1a7cA1 ASP 222 H 0.19 0.49 0.25 -0.55 8.40 8.78 1a7cA1 ASP 222 HA -0.10 0.18 0.91 -0.75 4.63 4.86 1a7cA1 ASP 222 HB2 0.11 -0.00 0.06 -0.04 2.71 2.84 1a7cA1 ASP 222 HB3 0.29 0.04 0.02 -0.04 2.70 3.01 1a7cA1 ILE 223 H -0.45 0.64 0.38 -0.55 8.25 8.27 1a7cA1 ILE 223 HA -0.29 0.27 0.95 -0.75 4.18 4.35 1a7cA1 ILE 223 HB -0.53 -0.01 0.02 -0.04 1.89 1.33 1a7cA1 ILE 223 HG12 -2.58 -0.05 -0.18 -0.04 1.49 -1.35 1a7cA1 ILE 223 HG13 -0.81 0.08 -0.33 -0.04 1.21 0.10 1a7cA1 ILE 223 HG23 -0.40 -0.01 -0.22 -0.04 0.93 0.26 1a7cA1 ILE 223 HD13 -0.87 0.01 -0.22 -0.04 0.88 -0.24 1a7cA1 LEU 224 H -0.05 0.58 0.31 -0.55 8.37 8.67 1a7cA1 LEU 224 HA 0.03 0.27 1.06 -0.75 4.35 4.96 1a7cA1 LEU 224 HB2 0.03 -0.04 -0.14 -0.04 1.64 1.45 1a7cA1 LEU 224 HB3 -0.11 -0.05 0.05 -0.04 1.64 1.49 1a7cA1 LEU 224 HG -0.08 0.11 0.04 -0.04 1.64 1.67 1a7cA1 LEU 224 HD13 -0.22 -0.01 -0.09 -0.04 0.93 0.56 1a7cA1 LEU 224 HD23 -0.65 -0.02 -0.27 -0.04 0.89 -0.09 1a7cA1 GLU 225 H -0.00 0.63 0.27 -0.55 8.60 8.95 1a7cA1 GLU 225 HA -0.32 0.21 1.09 -0.75 4.29 4.52 1a7cA1 GLU 225 HB2 -0.14 -0.00 -0.09 -0.04 2.09 1.82 1a7cA1 GLU 225 HB3 -0.04 -0.03 0.14 -0.04 1.99 2.02 1a7cA1 GLU 225 HG2 -0.24 -0.02 -0.36 -0.04 2.34 1.68 1a7cA1 GLU 225 HG3 -0.95 -0.04 -0.17 -0.04 2.34 1.14 1a7cA1 LEU 226 H -0.20 0.79 0.29 -0.55 8.37 8.70 1a7cA1 LEU 226 HA -0.10 0.20 0.92 -0.75 4.35 4.62 1a7cA1 LEU 226 HB2 -0.07 -0.03 0.23 -0.04 1.64 1.74 1a7cA1 LEU 226 HB3 -0.44 -0.01 0.05 -0.04 1.64 1.20 1a7cA1 LEU 226 HG -0.26 0.00 -0.24 -0.04 1.64 1.10 1a7cA1 LEU 226 HD13 -0.40 -0.01 -0.09 -0.04 0.93 0.38 1a7cA1 LEU 226 HD23 -0.46 0.03 -0.05 -0.04 0.89 0.37 1a7cA1 PRO 227 HA 0.00 0.09 0.81 -0.51 4.44 4.84 1a7cA1 PRO 227 HB2 0.07 0.12 0.06 -0.04 2.28 2.49 1a7cA1 PRO 227 HB3 0.02 0.03 0.07 -0.04 2.02 2.11 1a7cA1 PRO 227 HG2 0.05 -0.08 0.10 -0.04 2.03 2.06 1a7cA1 PRO 227 HG3 0.03 0.08 0.06 -0.04 2.03 2.16 1a7cA1 PRO 227 HD2 0.03 0.13 0.25 -0.04 3.68 4.05 1a7cA1 PRO 227 HD3 -0.01 0.16 -0.08 -0.04 3.65 3.68 1a7cA1 TYR 228 H 0.23 0.58 0.36 -0.55 8.29 8.91 1a7cA1 TYR 228 HA 0.27 0.12 0.78 -0.75 4.56 4.98 1a7cA1 TYR 228 HB2 0.16 -0.02 0.12 -0.04 3.06 3.29 1a7cA1 TYR 228 HB3 0.17 -0.05 0.13 -0.04 2.98 3.18 1a7cA1 TYR 228 HD2 -0.02 -0.03 -0.55 -0.04 7.15 6.51 1a7cA1 TYR 228 HE2 -0.49 0.03 -0.29 -0.04 6.85 6.05 1a7cA1 HIS 229 H 0.48 0.79 0.18 -0.55 8.41 9.31 1a7cA1 HIS 229 HA 0.11 0.06 0.27 -0.75 4.63 4.31 1a7cA1 HIS 229 HB2 0.07 0.03 0.11 -0.04 3.26 3.44 1a7cA1 HIS 229 HB3 0.10 0.19 -0.11 -0.04 3.20 3.34 1a7cA1 HIS 229 HD2 0.04 0.01 -0.06 -0.04 6.97 6.92 1a7cA1 HIS 229 HE1 -0.02 0.01 -0.13 -0.04 7.75 7.56 1a7cA1 GLY 230 H -0.07 -0.02 -0.27 -0.55 8.43 7.51 1a7cA1 GLY 230 HA2 -0.19 0.13 0.53 -0.51 4.01 3.98 1a7cA1 GLY 230 HA3 -0.15 0.32 0.44 -0.51 4.01 4.11 1a7cA1 ASP 231 H 0.08 0.49 -0.11 -0.55 8.40 8.31 1a7cA1 ASP 231 HA 0.07 0.05 0.34 -0.75 4.63 4.34 1a7cA1 ASP 231 HB2 0.04 0.23 -0.17 -0.04 2.71 2.77 1a7cA1 ASP 231 HB3 0.05 -0.05 0.20 -0.04 2.70 2.85 1a7cA1 THR 232 H 0.07 -0.03 -0.27 -0.55 8.28 7.50 1a7cA1 THR 232 HA -0.01 0.24 1.02 -0.75 4.39 4.88 1a7cA1 THR 232 HB -0.16 -0.09 0.11 -0.04 4.32 4.15 1a7cA1 THR 232 HG23 0.12 0.08 -0.05 -0.04 1.22 1.32 1a7cA1 LEU 233 H 0.14 -0.02 0.17 -0.55 8.37 8.11 1a7cA1 LEU 233 HA 0.12 0.34 1.15 -0.75 4.35 5.21 1a7cA1 LEU 233 HB2 0.23 -0.10 0.09 -0.04 1.64 1.82 1a7cA1 LEU 233 HB3 0.15 0.02 -0.01 -0.04 1.64 1.76 1a7cA1 LEU 233 HG 0.20 -0.01 -0.22 -0.04 1.64 1.57 1a7cA1 LEU 233 HD13 0.15 0.02 -0.08 -0.04 0.93 0.98 1a7cA1 LEU 233 HD23 -0.14 0.01 -0.20 -0.04 0.89 0.52 1a7cA1 SER 234 H 0.24 0.53 0.38 -0.55 8.46 9.07 1a7cA1 SER 234 HA 0.12 0.12 0.82 -0.75 4.49 4.79 1a7cA1 SER 234 HB2 -0.02 -0.01 -0.10 -0.04 3.95 3.78 1a7cA1 SER 234 HB3 -0.38 0.03 -0.17 -0.04 3.93 3.36 1a7cA1 MET 235 H -0.01 0.74 0.28 -0.55 8.47 8.93 1a7cA1 MET 235 HA 0.36 0.34 1.17 -0.75 4.52 5.64 1a7cA1 MET 235 HB2 0.51 -0.07 0.00 -0.04 2.15 2.55 1a7cA1 MET 235 HB3 0.34 0.02 0.15 -0.04 2.03 2.50 1a7cA1 MET 235 HG2 0.36 0.07 -0.36 -0.04 2.63 2.66 1a7cA1 MET 235 HG3 0.49 -0.05 -0.11 -0.04 2.56 2.85 1a7cA1 MET 235 HE3 0.24 -0.02 -0.13 -0.04 2.10 2.15 1a7cA1 PHE 236 H 0.55 0.64 0.35 -0.55 8.34 9.33 1a7cA1 PHE 236 HA 0.12 0.36 1.04 -0.75 4.62 5.39 1a7cA1 PHE 236 HB2 0.30 -0.09 0.09 -0.04 3.15 3.41 1a7cA1 PHE 236 HB3 0.20 0.04 -0.07 -0.04 3.06 3.19 1a7cA1 PHE 236 HD2 0.18 0.07 -0.19 -0.04 7.28 7.30 1a7cA1 PHE 236 HE2 0.14 0.00 -0.18 -0.04 7.38 7.30 1a7cA1 PHE 236 HZ 0.12 0.02 -0.14 -0.04 7.32 7.28 1a7cA1 ILE 237 H 0.11 0.59 0.33 -0.55 8.25 8.72 1a7cA1 ILE 237 HA 0.30 0.33 1.10 -0.75 4.18 5.15 1a7cA1 ILE 237 HB 0.05 0.06 0.06 -0.04 1.89 2.02 1a7cA1 ILE 237 HG12 -0.05 0.04 0.07 -0.04 1.49 1.51 1a7cA1 ILE 237 HG13 -0.06 -0.03 -0.07 -0.04 1.21 1.01 1a7cA1 ILE 237 HG23 0.20 -0.01 -0.19 -0.04 0.93 0.89 1a7cA1 ILE 237 HD13 -0.20 0.00 -0.11 -0.04 0.88 0.53 1a7cA1 ALA 238 H 0.20 0.59 0.31 -0.55 8.40 8.95 1a7cA1 ALA 238 HA -0.04 0.41 0.97 -0.75 4.34 4.93 1a7cA1 ALA 238 HB3 -0.22 -0.04 -0.07 -0.04 1.41 1.04 1a7cA1 ALA 239 H 0.09 0.50 0.27 -0.55 8.40 8.72 1a7cA1 ALA 239 HA 0.09 0.06 0.62 -0.75 4.34 4.36 1a7cA1 ALA 239 HB3 0.12 0.04 -0.03 -0.04 1.41 1.50 1a7cA1 PRO 240 HA 0.24 0.04 0.61 -0.51 4.44 4.82 1a7cA1 PRO 240 HB2 0.03 0.25 0.00 -0.04 2.28 2.53 1a7cA1 PRO 240 HB3 0.06 -0.08 0.05 -0.04 2.02 2.01 1a7cA1 PRO 240 HG2 -0.00 0.13 -0.28 -0.04 2.03 1.84 1a7cA1 PRO 240 HG3 0.01 -0.06 -0.09 -0.04 2.03 1.85 1a7cA1 PRO 240 HD2 0.05 0.25 0.16 -0.04 3.68 4.10 1a7cA1 PRO 240 HD3 0.04 0.03 0.15 -0.04 3.65 3.82 1a7cA1 TYR 241 H 0.35 0.58 0.35 -0.55 8.29 9.02 1a7cA1 TYR 241 HA 0.10 0.10 0.49 -0.75 4.56 4.49 1a7cA1 TYR 241 HB2 0.22 -0.02 -0.01 -0.04 3.06 3.21 1a7cA1 TYR 241 HB3 0.32 -0.07 0.14 -0.04 2.98 3.32 1a7cA1 TYR 241 HD2 0.14 -0.02 -0.10 -0.04 7.15 7.13 1a7cA1 TYR 241 HE2 0.04 -0.00 -0.01 -0.04 6.85 6.84 1a7cA1 GLU 242 H 0.24 0.06 0.03 -0.55 8.60 8.39 1a7cA1 GLU 242 HA 0.05 0.07 0.58 -0.75 4.29 4.24 1a7cA1 GLU 242 HB2 0.01 -0.02 0.14 -0.04 2.09 2.17 1a7cA1 GLU 242 HB3 0.04 -0.04 0.07 -0.04 1.99 2.02 1a7cA1 GLU 242 HG2 0.21 0.04 0.05 -0.04 2.34 2.61 1a7cA1 GLU 242 HG3 0.37 -0.04 0.08 -0.04 2.34 2.72 1a7cA1 LYS 243 H -0.06 0.14 0.19 -0.55 8.42 8.13 1a7cA1 LYS 243 HA -0.06 0.22 0.37 -0.75 4.32 4.10 1a7cA1 LYS 243 HB2 -0.11 0.04 0.13 -0.04 1.87 1.89 1a7cA1 LYS 243 HB3 -0.10 -0.07 0.07 -0.04 1.79 1.66 1a7cA1 LYS 243 HG2 -0.12 -0.01 -0.02 -0.04 1.46 1.27 1a7cA1 LYS 243 HG3 -0.10 0.06 0.10 -0.04 1.46 1.49 1a7cA1 LYS 243 HD2 -0.26 -0.06 0.02 -0.04 1.69 1.34 1a7cA1 LYS 243 HD3 -0.25 0.04 0.03 -0.04 1.68 1.46 1a7cA1 LYS 243 HE2 -0.10 0.04 -0.04 -0.04 2.99 2.85 1a7cA1 LYS 243 HE3 -0.13 -0.02 0.03 -0.04 2.99 2.83 1a7cA1 GLU 244 H -0.04 -0.05 -0.32 -0.55 8.60 7.65 1a7cA1 GLU 244 HA -0.05 0.16 0.47 -0.75 4.29 4.11 1a7cA1 GLU 244 HB2 -0.05 -0.01 -0.08 -0.04 2.09 1.91 1a7cA1 GLU 244 HB3 -0.04 0.02 0.07 -0.04 1.99 2.00 1a7cA1 GLU 244 HG2 -0.02 0.01 0.00 -0.04 2.34 2.30 1a7cA1 GLU 244 HG3 -0.04 0.02 -0.04 -0.04 2.34 2.25 1a7cA1 VAL 245 H -0.08 0.21 -0.35 -0.55 8.24 7.47 1a7cA1 VAL 245 HA -0.17 0.08 0.61 -0.75 4.13 3.90 1a7cA1 VAL 245 HB -0.10 0.13 0.10 -0.04 2.12 2.21 1a7cA1 VAL 245 HG13 -0.20 0.01 -0.11 -0.04 0.97 0.63 1a7cA1 VAL 245 HG23 -0.43 -0.05 -0.00 -0.04 0.95 0.43 1a7cA1 PRO 246 HA -0.03 0.17 0.52 -0.51 4.44 4.60 1a7cA1 PRO 246 HB2 -0.02 -0.14 0.05 -0.04 2.28 2.13 1a7cA1 PRO 246 HB3 -0.03 0.14 0.12 -0.04 2.02 2.21 1a7cA1 PRO 246 HG2 -0.03 -0.15 0.06 -0.04 2.03 1.87 1a7cA1 PRO 246 HG3 -0.03 0.08 0.08 -0.04 2.03 2.12 1a7cA1 PRO 246 HD2 -0.11 0.02 0.23 -0.04 3.68 3.78 1a7cA1 PRO 246 HD3 -0.06 0.31 0.28 -0.04 3.65 4.13 1a7cA1 LEU 247 H -0.00 0.23 0.19 -0.55 8.37 8.24 1a7cA1 LEU 247 HA 0.00 0.13 0.37 -0.75 4.35 4.10 1a7cA1 LEU 247 HB2 0.03 0.16 0.07 -0.04 1.64 1.85 1a7cA1 LEU 247 HB3 0.01 0.02 0.03 -0.04 1.64 1.66 1a7cA1 LEU 247 HG 0.03 -0.11 -0.12 -0.04 1.64 1.41 1a7cA1 LEU 247 HD13 0.06 0.05 0.01 -0.04 0.93 1.02 1a7cA1 LEU 247 HD23 0.03 0.01 -0.31 -0.04 0.89 0.59 1a7cA1 SER 248 H -0.01 0.12 -0.31 -0.55 8.46 7.72 1a7cA1 SER 248 HA -0.02 0.03 0.26 -0.75 4.49 4.01 1a7cA1 SER 248 HB2 -0.03 0.04 0.01 -0.04 3.95 3.93 1a7cA1 SER 248 HB3 -0.03 0.07 0.05 -0.04 3.93 3.99 1a7cA1 ALA 249 H -0.02 0.50 -0.51 -0.55 8.40 7.83 1a7cA1 ALA 249 HA 0.02 0.03 0.35 -0.75 4.34 3.99 1a7cA1 ALA 249 HB3 0.02 0.01 0.01 -0.04 1.41 1.42 1a7cA1 LEU 250 H -0.03 0.53 -0.24 -0.55 8.37 8.08 1a7cA1 LEU 250 HA -0.09 0.11 0.62 -0.75 4.35 4.24 1a7cA1 LEU 250 HB2 -0.04 0.11 0.05 -0.04 1.64 1.72 1a7cA1 LEU 250 HB3 -0.10 -0.04 -0.12 -0.04 1.64 1.33 1a7cA1 LEU 250 HG -0.13 0.05 -0.07 -0.04 1.64 1.46 1a7cA1 LEU 250 HD13 -0.25 -0.00 -0.24 -0.04 0.93 0.39 1a7cA1 LEU 250 HD23 -0.63 -0.02 -0.27 -0.04 0.89 -0.07 1a7cA1 THR 251 H 0.01 0.37 -0.01 -0.55 8.28 8.09 1a7cA1 THR 251 HA 0.07 0.02 0.34 -0.75 4.39 4.07 1a7cA1 THR 251 HB -0.03 -0.00 -0.00 -0.04 4.32 4.24 1a7cA1 THR 251 HG23 0.07 0.03 -0.10 -0.04 1.22 1.17 1a7cA1 ASN 252 H -0.00 0.35 -0.51 -0.55 8.53 7.83 1a7cA1 ASN 252 HA -0.02 0.10 0.47 -0.75 4.76 4.54 1a7cA1 ASN 252 HB2 0.00 0.09 0.01 -0.04 2.88 2.94 1a7cA1 ASN 252 HB3 -0.00 -0.05 0.02 -0.04 2.79 2.72 1a7cA1 ASN 252 HD21 -0.02 -0.07 -0.06 -0.04 7.03 6.83 1a7cA1 ASN 252 HD22 -0.00 -0.04 -0.07 -0.04 7.74 7.59 1a7cA1 ILE 253 H 0.02 0.36 -0.36 -0.55 8.25 7.72 1a7cA1 ILE 253 HA 0.02 0.21 0.89 -0.75 4.18 4.54 1a7cA1 ILE 253 HB 0.08 -0.06 0.14 -0.04 1.89 2.00 1a7cA1 ILE 253 HG12 0.04 0.12 0.13 -0.04 1.49 1.74 1a7cA1 ILE 253 HG13 0.09 0.01 -0.21 -0.04 1.21 1.05 1a7cA1 ILE 253 HG23 0.06 -0.01 -0.05 -0.04 0.93 0.89 1a7cA1 ILE 253 HD13 0.17 -0.05 -0.00 -0.04 0.88 0.96 1a7cA1 LEU 254 H 0.02 0.20 -0.33 -0.55 8.37 7.70 1a7cA1 LEU 254 HA -0.06 -0.04 0.35 -0.75 4.35 3.85 1a7cA1 LEU 254 HB2 0.05 0.15 0.10 -0.04 1.64 1.90 1a7cA1 LEU 254 HB3 0.03 -0.01 -0.10 -0.04 1.64 1.52 1a7cA1 LEU 254 HG -0.05 -0.07 -0.09 -0.04 1.64 1.40 1a7cA1 LEU 254 HD13 0.11 0.02 -0.16 -0.04 0.93 0.85 1a7cA1 LEU 254 HD23 0.18 -0.02 -0.10 -0.04 0.89 0.92 1a7cA1 SER 255 H -0.21 0.24 0.21 -0.55 8.46 8.16 1a7cA1 SER 255 HA -0.08 0.17 0.44 -0.75 4.49 4.27 1a7cA1 SER 255 HB2 -0.08 -0.00 0.14 -0.04 3.95 3.97 1a7cA1 SER 255 HB3 -0.06 0.30 -0.22 -0.04 3.93 3.91 1a7cA1 ALA 256 H -0.09 0.27 0.15 -0.55 8.40 8.18 1a7cA1 ALA 256 HA -0.18 0.09 0.39 -0.75 4.34 3.88 1a7cA1 ALA 256 HB3 -0.07 0.06 -0.01 -0.04 1.41 1.35 1a7cA1 GLN 257 H -0.18 0.10 -0.19 -0.55 8.47 7.65 1a7cA1 GLN 257 HA -0.32 0.13 0.39 -0.75 4.36 3.80 1a7cA1 GLN 257 HB2 -0.18 0.04 0.05 -0.04 2.15 2.02 1a7cA1 GLN 257 HB3 -0.21 0.00 0.01 -0.04 2.02 1.78 1a7cA1 GLN 257 HG2 -0.81 -0.00 -0.22 -0.04 2.40 1.32 1a7cA1 GLN 257 HG3 -0.33 0.02 -0.00 -0.04 2.39 2.04 1a7cA1 GLN 257 HE21 0.01 0.03 -0.04 -0.04 6.97 6.92 1a7cA1 GLN 257 HE22 -0.09 -0.03 -0.07 -0.04 7.69 7.46 1a7cA1 LEU 258 H -0.31 0.11 -0.27 -0.55 8.37 7.35 1a7cA1 LEU 258 HA -0.26 0.08 0.37 -0.75 4.35 3.79 1a7cA1 LEU 258 HB2 -0.17 0.08 0.08 -0.04 1.64 1.58 1a7cA1 LEU 258 HB3 -0.47 0.01 0.12 -0.04 1.64 1.26 1a7cA1 LEU 258 HG -0.94 -0.03 -0.25 -0.04 1.64 0.38 1a7cA1 LEU 258 HD13 0.30 0.00 -0.03 -0.04 0.93 1.16 1a7cA1 LEU 258 HD23 0.08 0.04 -0.13 -0.04 0.89 0.84 1a7cA1 ILE 259 H -0.64 0.36 -0.26 -0.55 8.25 7.17 1a7cA1 ILE 259 HA -1.41 0.03 0.30 -0.75 4.18 2.35 1a7cA1 ILE 259 HB -0.40 0.17 0.08 -0.04 1.89 1.70 1a7cA1 ILE 259 HG12 -0.84 -0.01 -0.07 -0.04 1.49 0.52 1a7cA1 ILE 259 HG13 -0.72 0.07 0.02 -0.04 1.21 0.54 1a7cA1 ILE 259 HG23 -0.41 -0.01 -0.17 -0.04 0.93 0.31 1a7cA1 ILE 259 HD13 -0.22 -0.02 -0.11 -0.04 0.88 0.49 1a7cA1 SER 260 H -0.37 0.35 -0.29 -0.55 8.46 7.61 1a7cA1 SER 260 HA -0.13 0.03 0.37 -0.75 4.49 4.01 1a7cA1 SER 260 HB2 -0.26 0.12 0.11 -0.04 3.95 3.88 1a7cA1 SER 260 HB3 -0.09 -0.02 -0.01 -0.04 3.93 3.77 1a7cA1 HIS 261 H -0.23 0.45 -0.26 -0.55 8.41 7.83 1a7cA1 HIS 261 HA 0.08 0.02 0.40 -0.75 4.63 4.38 1a7cA1 HIS 261 HB2 0.04 0.11 0.14 -0.04 3.26 3.51 1a7cA1 HIS 261 HB3 0.35 -0.03 -0.02 -0.04 3.20 3.45 1a7cA1 HIS 261 HD2 0.02 -0.02 -0.14 -0.04 6.97 6.79 1a7cA1 HIS 261 HE1 0.02 -0.03 -0.07 -0.04 7.75 7.62 1a7cA1 TRP 262 H -0.12 0.41 -0.31 -0.55 7.97 7.41 1a7cA1 TRP 262 HA -0.40 0.02 0.27 -0.75 4.62 3.76 1a7cA1 TRP 262 HB2 -0.30 0.15 0.07 -0.04 3.23 3.12 1a7cA1 TRP 262 HB3 -0.19 -0.03 -0.17 -0.04 3.23 2.80 1a7cA1 TRP 262 HD1 -1.86 -0.03 -0.17 -0.04 7.22 5.12 1a7cA1 TRP 262 HE1 -0.14 -0.03 -0.17 -0.04 10.20 9.82 1a7cA1 TRP 262 HE3 -0.30 0.03 -0.12 -0.04 7.59 7.16 1a7cA1 TRP 262 HZ2 0.05 0.00 -0.19 -0.04 7.44 7.27 1a7cA1 TRP 262 HZ3 -0.03 -0.02 -0.19 -0.04 7.13 6.85 1a7cA1 TRP 262 HH2 -0.01 -0.02 -0.18 -0.04 7.19 6.94 1a7cA1 LYS 263 H 0.10 0.42 -0.19 -0.55 8.42 8.20 1a7cA1 LYS 263 HA 0.33 -0.01 0.27 -0.75 4.32 4.16 1a7cA1 LYS 263 HB2 0.15 -0.05 0.01 -0.04 1.87 1.95 1a7cA1 LYS 263 HB3 0.08 0.13 0.08 -0.04 1.79 2.04 1a7cA1 LYS 263 HG2 0.22 -0.03 -0.09 -0.04 1.46 1.52 1a7cA1 LYS 263 HG3 0.16 0.04 -0.27 -0.04 1.46 1.35 1a7cA1 LYS 263 HD2 0.25 0.01 0.02 -0.04 1.69 1.93 1a7cA1 LYS 263 HD3 0.52 -0.05 -0.08 -0.04 1.68 2.03 1a7cA1 LYS 263 HE2 0.20 -0.03 -0.10 -0.04 2.99 3.03 1a7cA1 LYS 263 HE3 0.14 0.03 -0.08 -0.04 2.99 3.04 1a7cA1 GLY 264 H 0.15 0.45 -0.29 -0.55 8.43 8.20 1a7cA1 GLY 264 HA2 0.11 0.03 0.44 -0.51 4.01 4.07 1a7cA1 GLY 264 HA3 0.12 -0.01 0.27 -0.51 4.01 3.88 1a7cA1 ASN 265 H 0.22 0.39 -0.41 -0.55 8.53 8.18 1a7cA1 ASN 265 HA 0.11 0.11 0.74 -0.75 4.76 4.97 1a7cA1 ASN 265 HB2 0.43 0.15 0.10 -0.04 2.88 3.52 1a7cA1 ASN 265 HB3 0.22 -0.10 0.14 -0.04 2.79 3.01 1a7cA1 ASN 265 HD21 0.05 -0.12 -0.04 -0.04 7.03 6.87 1a7cA1 ASN 265 HD22 0.33 0.54 0.07 -0.04 7.74 8.63 1a7cA1 MET 266 H 0.14 0.24 -0.48 -0.55 8.47 7.83 1a7cA1 MET 266 HA 0.09 0.21 0.54 -0.75 4.52 4.61 1a7cA1 MET 266 HB2 0.14 0.07 -0.00 -0.04 2.15 2.32 1a7cA1 MET 266 HB3 0.12 -0.18 -0.11 -0.04 2.03 1.82 1a7cA1 MET 266 HG2 0.10 -0.01 -0.34 -0.04 2.63 2.34 1a7cA1 MET 266 HG3 0.20 0.16 -0.03 -0.04 2.56 2.84 1a7cA1 MET 266 HE3 0.07 -0.05 -0.43 -0.04 2.10 1.65 1a7cA1 THR 267 H 0.11 0.59 0.40 -0.55 8.28 8.83 1a7cA1 THR 267 HA 0.07 0.09 0.78 -0.75 4.39 4.58 1a7cA1 THR 267 HB 0.11 0.03 0.13 -0.04 4.32 4.54 1a7cA1 THR 267 HG23 0.05 0.00 -0.09 -0.04 1.22 1.14 1a7cA1 ARG 268 H 0.05 0.13 0.10 -0.55 8.46 8.19 1a7cA1 ARG 268 HA 0.08 0.19 0.40 -0.75 4.34 4.25 1a7cA1 ARG 268 HB2 0.03 -0.02 0.05 -0.04 1.90 1.92 1a7cA1 ARG 268 HB3 0.01 -0.03 0.10 -0.04 1.80 1.84 1a7cA1 ARG 268 HG2 -0.02 -0.05 -0.27 -0.04 1.67 1.28 1a7cA1 ARG 268 HG3 0.02 0.01 -0.42 -0.04 1.67 1.23 1a7cA1 ARG 268 HD2 -0.00 0.01 -0.05 -0.04 3.22 3.13 1a7cA1 ARG 268 HD3 0.00 -0.04 -0.03 -0.04 3.22 3.12 1a7cA1 LEU 269 H 0.08 0.78 0.36 -0.55 8.37 9.05 1a7cA1 LEU 269 HA 0.00 0.15 0.89 -0.75 4.35 4.64 1a7cA1 LEU 269 HB2 0.02 0.00 0.04 -0.04 1.64 1.66 1a7cA1 LEU 269 HB3 -0.03 0.04 0.04 -0.04 1.64 1.65 1a7cA1 LEU 269 HG 0.09 0.02 -0.52 -0.04 1.64 1.20 1a7cA1 LEU 269 HD13 0.11 -0.02 -0.05 -0.04 0.93 0.93 1a7cA1 LEU 269 HD23 0.02 0.03 -0.02 -0.04 0.89 0.88 1a7cA1 PRO 270 HA -0.09 0.17 0.61 -0.51 4.44 4.62 1a7cA1 PRO 270 HB2 -0.05 0.02 -0.00 -0.04 2.28 2.21 1a7cA1 PRO 270 HB3 -0.06 -0.02 0.06 -0.04 2.02 1.96 1a7cA1 PRO 270 HG2 -0.04 0.01 0.19 -0.04 2.03 2.15 1a7cA1 PRO 270 HG3 -0.04 0.04 0.08 -0.04 2.03 2.07 1a7cA1 PRO 270 HD2 -0.03 0.10 0.26 -0.04 3.68 3.98 1a7cA1 PRO 270 HD3 -0.03 0.12 0.18 -0.04 3.65 3.87 1a7cA1 ARG 271 H -0.02 0.70 0.53 -0.55 8.46 9.12 1a7cA1 ARG 271 HA -0.01 0.16 0.77 -0.75 4.34 4.50 1a7cA1 ARG 271 HB2 0.32 -0.04 0.03 -0.04 1.90 2.17 1a7cA1 ARG 271 HB3 0.03 0.02 -0.05 -0.04 1.80 1.76 1a7cA1 ARG 271 HG2 -0.10 0.04 -0.60 -0.04 1.67 0.97 1a7cA1 ARG 271 HG3 -0.19 -0.04 -0.13 -0.04 1.67 1.26 1a7cA1 ARG 271 HD2 -0.19 -0.02 -0.13 -0.04 3.22 2.84 1a7cA1 ARG 271 HD3 -0.14 0.04 0.16 -0.04 3.22 3.24 1a7cA1 LEU 272 H 0.01 0.62 0.21 -0.55 8.37 8.67 1a7cA1 LEU 272 HA 0.07 0.14 1.00 -0.75 4.35 4.81 1a7cA1 LEU 272 HB2 0.01 -0.01 0.02 -0.04 1.64 1.62 1a7cA1 LEU 272 HB3 0.01 0.01 0.07 -0.04 1.64 1.69 1a7cA1 LEU 272 HG 0.02 -0.03 -0.39 -0.04 1.64 1.20 1a7cA1 LEU 272 HD13 0.03 0.04 -0.17 -0.04 0.93 0.79 1a7cA1 LEU 272 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.76 1a7cA1 LEU 273 H 0.14 0.81 0.34 -0.55 8.37 9.12 1a7cA1 LEU 273 HA -0.05 0.31 1.09 -0.75 4.35 4.95 1a7cA1 LEU 273 HB2 -0.33 -0.02 -0.04 -0.04 1.64 1.20 1a7cA1 LEU 273 HB3 -0.07 0.01 0.12 -0.04 1.64 1.66 1a7cA1 LEU 273 HG -0.07 -0.03 -0.45 -0.04 1.64 1.04 1a7cA1 LEU 273 HD13 -0.20 0.04 -0.08 -0.04 0.93 0.65 1a7cA1 LEU 273 HD23 -0.37 -0.01 -0.14 -0.04 0.89 0.33 1a7cA1 VAL 274 H -0.05 0.69 0.34 -0.55 8.24 8.68 1a7cA1 VAL 274 HA -0.04 0.34 1.00 -0.75 4.13 4.68 1a7cA1 VAL 274 HB -0.03 -0.14 0.19 -0.04 2.12 2.10 1a7cA1 VAL 274 HG13 -0.05 0.01 -0.17 -0.04 0.97 0.72 1a7cA1 VAL 274 HG23 -0.01 -0.00 -0.20 -0.04 0.95 0.69 1a7cA1 LEU 275 H -0.14 0.66 0.14 -0.55 8.37 8.49 1a7cA1 LEU 275 HA -0.15 0.19 0.95 -0.75 4.35 4.58 1a7cA1 LEU 275 HB2 -0.18 -0.03 -0.21 -0.04 1.64 1.17 1a7cA1 LEU 275 HB3 -0.32 -0.05 -0.04 -0.04 1.64 1.19 1a7cA1 LEU 275 HG -0.03 0.27 -0.26 -0.04 1.64 1.58 1a7cA1 LEU 275 HD13 -0.37 -0.01 -0.03 -0.04 0.93 0.48 1a7cA1 LEU 275 HD23 -0.12 -0.04 -0.14 -0.04 0.89 0.56 1a7cA1 PRO 276 HA 0.02 0.10 0.59 -0.51 4.44 4.64 1a7cA1 PRO 276 HB2 0.28 -0.06 -0.05 -0.04 2.28 2.40 1a7cA1 PRO 276 HB3 0.09 0.04 0.02 -0.04 2.02 2.13 1a7cA1 PRO 276 HG2 0.44 0.07 0.07 -0.04 2.03 2.56 1a7cA1 PRO 276 HG3 0.20 0.01 -0.01 -0.04 2.03 2.19 1a7cA1 PRO 276 HD2 0.01 0.04 0.20 -0.04 3.68 3.88 1a7cA1 PRO 276 HD3 -0.01 0.16 0.22 -0.04 3.65 3.98 1a7cA1 LYS 277 H -0.01 0.40 0.26 -0.55 8.42 8.52 1a7cA1 LYS 277 HA -0.13 0.09 0.74 -0.75 4.32 4.27 1a7cA1 LYS 277 HB2 -0.10 0.17 0.18 -0.04 1.87 2.08 1a7cA1 LYS 277 HB3 -0.13 -0.09 0.05 -0.04 1.79 1.58 1a7cA1 LYS 277 HG2 -0.04 0.14 0.01 -0.04 1.46 1.53 1a7cA1 LYS 277 HG3 -0.03 -0.01 0.01 -0.04 1.46 1.39 1a7cA1 LYS 277 HD2 -0.07 -0.04 -0.08 -0.04 1.69 1.46 1a7cA1 LYS 277 HD3 -0.04 -0.03 -0.08 -0.04 1.68 1.49 1a7cA1 LYS 277 HE2 -0.04 0.02 -0.02 -0.04 2.99 2.91 1a7cA1 LYS 277 HE3 -0.06 -0.01 0.07 -0.04 2.99 2.95 1a7cA1 PHE 278 H -0.52 0.21 0.23 -0.55 8.34 7.71 1a7cA1 PHE 278 HA -0.04 0.23 0.69 -0.75 4.62 4.74 1a7cA1 PHE 278 HB2 -0.05 -0.02 -0.05 -0.04 3.15 2.98 1a7cA1 PHE 278 HB3 -0.04 0.07 -0.21 -0.04 3.06 2.84 1a7cA1 PHE 278 HD2 0.01 0.09 -0.36 -0.04 7.28 6.98 1a7cA1 PHE 278 HE2 -0.16 0.02 -0.16 -0.04 7.38 7.03 1a7cA1 PHE 278 HZ -0.45 -0.02 -0.15 -0.04 7.32 6.66 1a7cA1 SER 279 H 0.12 0.37 0.09 -0.55 8.46 8.49 1a7cA1 SER 279 HA -0.00 0.26 1.03 -0.75 4.49 5.02 1a7cA1 SER 279 HB2 -0.02 -0.02 -0.07 -0.04 3.95 3.80 1a7cA1 SER 279 HB3 0.01 0.00 0.18 -0.04 3.93 4.09 1a7cA1 LEU 280 H 0.11 0.65 0.29 -0.55 8.37 8.88 1a7cA1 LEU 280 HA 0.07 0.20 1.00 -0.75 4.35 4.87 1a7cA1 LEU 280 HB2 0.20 -0.01 -0.01 -0.04 1.64 1.79 1a7cA1 LEU 280 HB3 0.12 -0.03 -0.15 -0.04 1.64 1.54 1a7cA1 LEU 280 HG 0.04 -0.01 -0.03 -0.04 1.64 1.60 1a7cA1 LEU 280 HD13 0.08 0.04 -0.21 -0.04 0.93 0.81 1a7cA1 LEU 280 HD23 -0.00 -0.02 -0.17 -0.04 0.89 0.66 1a7cA1 GLU 281 H 0.06 0.29 0.15 -0.55 8.60 8.55 1a7cA1 GLU 281 HA 0.08 0.32 0.99 -0.75 4.29 4.92 1a7cA1 GLU 281 HB2 0.04 0.01 -0.06 -0.04 2.09 2.05 1a7cA1 GLU 281 HB3 0.04 -0.04 0.11 -0.04 1.99 2.06 1a7cA1 GLU 281 HG2 0.05 -0.04 -0.22 -0.04 2.34 2.10 1a7cA1 GLU 281 HG3 0.06 0.10 -0.03 -0.04 2.34 2.43 1a7cA1 THR 282 H 0.10 0.58 0.35 -0.55 8.28 8.76 1a7cA1 THR 282 HA 0.07 0.18 0.90 -0.75 4.39 4.78 1a7cA1 THR 282 HB 0.08 0.07 0.13 -0.04 4.32 4.56 1a7cA1 THR 282 HG23 0.08 0.02 -0.28 -0.04 1.22 1.00 1a7cA1 GLU 283 H 0.06 0.27 0.22 -0.55 8.60 8.60 1a7cA1 GLU 283 HA 0.08 0.31 1.09 -0.75 4.29 5.02 1a7cA1 GLU 283 HB2 0.05 -0.00 0.02 -0.04 2.09 2.12 1a7cA1 GLU 283 HB3 0.05 -0.03 0.16 -0.04 1.99 2.13 1a7cA1 GLU 283 HG2 0.05 -0.02 -0.17 -0.04 2.34 2.16 1a7cA1 GLU 283 HG3 0.06 0.01 -0.05 -0.04 2.34 2.32 1a7cA1 VAL 284 H 0.11 0.64 0.35 -0.55 8.24 8.79 1a7cA1 VAL 284 HA 0.06 0.20 1.07 -0.75 4.13 4.70 1a7cA1 VAL 284 HB 0.11 0.05 -0.02 -0.04 2.12 2.22 1a7cA1 VAL 284 HG13 0.29 0.00 0.05 -0.04 0.97 1.27 1a7cA1 VAL 284 HG23 0.04 -0.00 -0.13 -0.04 0.95 0.82 1a7cA1 ASP 285 H 0.03 0.22 0.21 -0.55 8.40 8.30 1a7cA1 ASP 285 HA 0.04 0.12 0.91 -0.75 4.63 4.95 1a7cA1 ASP 285 HB2 0.01 0.05 0.13 -0.04 2.71 2.87 1a7cA1 ASP 285 HB3 -0.01 0.03 0.22 -0.04 2.70 2.90 1a7cA1 LEU 286 H 0.08 0.86 0.45 -0.55 8.37 9.21 1a7cA1 LEU 286 HA 0.05 0.18 0.70 -0.75 4.35 4.53 1a7cA1 LEU 286 HB2 0.14 0.04 -0.08 -0.04 1.64 1.70 1a7cA1 LEU 286 HB3 0.14 -0.02 0.05 -0.04 1.64 1.76 1a7cA1 LEU 286 HG 0.15 0.01 -0.19 -0.04 1.64 1.56 1a7cA1 LEU 286 HD13 0.13 -0.01 -0.21 -0.04 0.93 0.81 1a7cA1 LEU 286 HD23 0.28 0.01 -0.14 -0.04 0.89 1.00 1a7cA1 ARG 287 H -0.01 0.09 -0.08 -0.55 8.46 7.90 1a7cA1 ARG 287 HA -0.25 0.07 0.31 -0.75 4.34 3.72 1a7cA1 ARG 287 HB2 -0.19 -0.01 0.12 -0.04 1.90 1.78 1a7cA1 ARG 287 HB3 -0.19 -0.03 0.11 -0.04 1.80 1.65 1a7cA1 ARG 287 HG2 -0.51 0.01 -0.23 -0.04 1.67 0.90 1a7cA1 ARG 287 HG3 -1.54 0.01 -0.01 -0.04 1.67 0.09 1a7cA1 ARG 287 HD2 -0.21 0.05 0.01 -0.04 3.22 3.02 1a7cA1 ARG 287 HD3 -0.19 -0.02 -0.00 -0.04 3.22 2.97 1a7cA1 LYS 288 H -0.11 0.12 -0.06 -0.55 8.42 7.82 1a7cA1 LYS 288 HA -0.12 0.05 0.45 -0.75 4.32 3.95 1a7cA1 LYS 288 HB2 -0.07 0.08 0.03 -0.04 1.87 1.88 1a7cA1 LYS 288 HB3 -0.07 0.04 -0.01 -0.04 1.79 1.71 1a7cA1 LYS 288 HG2 -0.09 -0.07 0.05 -0.04 1.46 1.30 1a7cA1 LYS 288 HG3 -0.07 0.05 0.02 -0.04 1.46 1.42 1a7cA1 LYS 288 HD2 -0.07 0.04 -0.00 -0.04 1.69 1.61 1a7cA1 LYS 288 HD3 -0.12 -0.03 -0.06 -0.04 1.68 1.42 1a7cA1 LYS 288 HE2 -0.06 0.03 -0.01 -0.04 2.99 2.91 1a7cA1 LYS 288 HE3 -0.08 0.01 -0.02 -0.04 2.99 2.86 1a7cA1 PRO 289 HA -0.05 0.09 0.43 -0.51 4.44 4.40 1a7cA1 PRO 289 HB2 -0.02 0.05 0.04 -0.04 2.28 2.31 1a7cA1 PRO 289 HB3 -0.10 0.08 0.04 -0.04 2.02 2.01 1a7cA1 PRO 289 HG2 -0.06 0.08 0.02 -0.04 2.03 2.03 1a7cA1 PRO 289 HG3 -0.09 0.07 -0.13 -0.04 2.03 1.84 1a7cA1 PRO 289 HD2 -0.03 -0.04 -0.45 -0.04 3.68 3.13 1a7cA1 PRO 289 HD3 -0.06 0.03 0.00 -0.04 3.65 3.58 1a7cA1 LEU 290 H 0.05 0.59 -0.21 -0.55 8.37 8.25 1a7cA1 LEU 290 HA 0.11 0.07 0.41 -0.75 4.35 4.19 1a7cA1 LEU 290 HB2 0.33 0.10 0.10 -0.04 1.64 2.13 1a7cA1 LEU 290 HB3 0.27 -0.06 0.00 -0.04 1.64 1.81 1a7cA1 LEU 290 HG 0.15 0.13 0.04 -0.04 1.64 1.92 1a7cA1 LEU 290 HD13 0.25 -0.04 -0.09 -0.04 0.93 1.01 1a7cA1 LEU 290 HD23 0.18 -0.01 -0.06 -0.04 0.89 0.96 1a7cA1 GLU 291 H 0.02 0.50 -0.09 -0.55 8.60 8.49 1a7cA1 GLU 291 HA 0.12 -0.00 0.14 -0.75 4.29 3.80 1a7cA1 GLU 291 HB2 -0.06 0.06 0.14 -0.04 2.09 2.19 1a7cA1 GLU 291 HB3 0.00 -0.07 -0.06 -0.04 1.99 1.83 1a7cA1 GLU 291 HG2 0.10 -0.05 0.01 -0.04 2.34 2.36 1a7cA1 GLU 291 HG3 -0.22 0.16 0.07 -0.04 2.34 2.32 1a7cA1 ASN 292 H 0.00 0.58 -0.24 -0.55 8.53 8.32 1a7cA1 ASN 292 HA 0.00 0.00 0.39 -0.75 4.76 4.40 1a7cA1 ASN 292 HB2 -0.02 0.16 0.10 -0.04 2.88 3.08 1a7cA1 ASN 292 HB3 -0.02 -0.03 0.03 -0.04 2.79 2.73 1a7cA1 ASN 292 HD21 -0.05 -0.08 -0.09 -0.04 7.03 6.77 1a7cA1 ASN 292 HD22 -0.05 0.00 -0.06 -0.04 7.74 7.59 1a7cA1 LEU 293 H 0.05 0.27 -0.53 -0.55 8.37 7.61 1a7cA1 LEU 293 HA 0.04 0.14 0.71 -0.75 4.35 4.49 1a7cA1 LEU 293 HB2 0.11 0.02 0.09 -0.04 1.64 1.83 1a7cA1 LEU 293 HB3 0.13 -0.03 0.17 -0.04 1.64 1.87 1a7cA1 LEU 293 HG -0.00 0.12 -0.04 -0.04 1.64 1.67 1a7cA1 LEU 293 HD13 -0.06 -0.02 -0.15 -0.04 0.93 0.66 1a7cA1 LEU 293 HD23 0.01 0.02 -0.04 -0.04 0.89 0.84 1a7cA1 GLY 294 H 0.05 0.41 -0.63 -0.55 8.43 7.72 1a7cA1 GLY 294 HA2 0.04 -0.01 0.27 -0.51 4.01 3.81 1a7cA1 GLY 294 HA3 0.04 0.13 0.58 -0.51 4.01 4.26 1a7cA1 MET 295 H 0.11 0.60 -0.12 -0.55 8.47 8.50 1a7cA1 MET 295 HA 0.05 0.03 0.73 -0.75 4.52 4.58 1a7cA1 MET 295 HB2 0.16 0.11 -0.00 -0.04 2.15 2.38 1a7cA1 MET 295 HB3 0.05 -0.13 -0.01 -0.04 2.03 1.90 1a7cA1 MET 295 HG2 -0.00 -0.11 -0.28 -0.04 2.63 2.19 1a7cA1 MET 295 HG3 0.06 0.14 -0.36 -0.04 2.56 2.35 1a7cA1 MET 295 HE3 0.28 0.06 -0.03 -0.04 2.10 2.37 1a7cA1 THR 296 H 0.08 0.31 -0.01 -0.55 8.28 8.10 1a7cA1 THR 296 HA 0.26 0.21 0.77 -0.75 4.39 4.88 1a7cA1 THR 296 HB 0.09 -0.01 -0.04 -0.04 4.32 4.31 1a7cA1 THR 296 HG23 0.06 0.02 -0.12 -0.04 1.22 1.14 1a7cA1 ASP 297 H 0.05 0.15 0.09 -0.55 8.40 8.14 1a7cA1 ASP 297 HA 0.06 0.08 0.31 -0.75 4.63 4.33 1a7cA1 ASP 297 HB2 -0.00 -0.01 0.08 -0.04 2.71 2.73 1a7cA1 ASP 297 HB3 0.01 0.05 -0.17 -0.04 2.70 2.54 1a7cA1 MET 298 H -0.05 0.14 -0.25 -0.55 8.47 7.77 1a7cA1 MET 298 HA 0.01 0.01 0.35 -0.75 4.52 4.13 1a7cA1 MET 298 HB2 -0.16 -0.01 0.01 -0.04 2.15 1.95 1a7cA1 MET 298 HB3 -0.19 0.01 0.03 -0.04 2.03 1.84 1a7cA1 MET 298 HG2 -0.24 -0.03 -0.22 -0.04 2.63 2.10 1a7cA1 MET 298 HG3 -1.05 0.07 -0.25 -0.04 2.56 1.28 1a7cA1 MET 298 HE3 -0.20 0.04 -0.09 -0.04 2.10 1.81 1a7cA1 PHE 299 H 0.12 0.30 -0.51 -0.55 8.34 7.70 1a7cA1 PHE 299 HA 0.11 0.19 0.66 -0.75 4.62 4.82 1a7cA1 PHE 299 HB2 0.04 0.13 0.05 -0.04 3.15 3.33 1a7cA1 PHE 299 HB3 0.05 -0.01 0.07 -0.04 3.06 3.13 1a7cA1 PHE 299 HD2 0.04 0.16 -0.01 -0.04 7.28 7.43 1a7cA1 PHE 299 HE2 0.03 0.01 -0.12 -0.04 7.38 7.27 1a7cA1 PHE 299 HZ 0.04 -0.02 -0.11 -0.04 7.32 7.18 1a7cA1 ARG 300 H 0.12 0.43 -0.15 -0.55 8.46 8.32 1a7cA1 ARG 300 HA -0.02 0.16 0.94 -0.75 4.34 4.67 1a7cA1 ARG 300 HB2 0.06 0.05 0.17 -0.04 1.90 2.15 1a7cA1 ARG 300 HB3 0.02 -0.14 -0.01 -0.04 1.80 1.64 1a7cA1 ARG 300 HG2 0.04 -0.01 -0.02 -0.04 1.67 1.64 1a7cA1 ARG 300 HG3 0.09 0.04 -0.19 -0.04 1.67 1.57 1a7cA1 ARG 300 HD2 0.09 0.14 -0.14 -0.04 3.22 3.28 1a7cA1 ARG 300 HD3 0.06 -0.05 -0.06 -0.04 3.22 3.13 1a7cA1 GLN 301 H -0.39 0.21 0.15 -0.55 8.47 7.89 1a7cA1 GLN 301 HA -0.49 0.11 0.21 -0.75 4.36 3.43 1a7cA1 GLN 301 HB2 -0.89 0.05 0.09 -0.04 2.15 1.36 1a7cA1 GLN 301 HB3 -0.85 -0.07 0.13 -0.04 2.02 1.20 1a7cA1 GLN 301 HG2 -0.91 -0.02 -0.03 -0.04 2.40 1.40 1a7cA1 GLN 301 HG3 -1.36 0.03 -0.26 -0.04 2.39 0.75 1a7cA1 GLN 301 HE21 -0.10 0.03 -0.03 -0.04 6.97 6.84 1a7cA1 GLN 301 HE22 -0.22 -0.03 -0.03 -0.04 7.69 7.37 1a7cA1 PHE 302 H -0.21 0.01 -0.23 -0.55 8.34 7.36 1a7cA1 PHE 302 HA -0.01 0.27 0.73 -0.75 4.62 4.85 1a7cA1 PHE 302 HB2 -0.02 -0.03 0.01 -0.04 3.15 3.08 1a7cA1 PHE 302 HB3 -0.01 0.03 0.12 -0.04 3.06 3.16 1a7cA1 PHE 302 HD2 -0.02 0.04 -0.03 -0.04 7.28 7.22 1a7cA1 PHE 302 HE2 -0.03 0.02 -0.03 -0.04 7.38 7.30 1a7cA1 PHE 302 HZ -0.03 0.01 -0.02 -0.04 7.32 7.23 1a7cA1 GLN 303 H 0.04 0.24 -0.20 -0.55 8.47 8.01 1a7cA1 GLN 303 HA 0.07 0.21 1.00 -0.75 4.36 4.89 1a7cA1 GLN 303 HB2 0.06 0.02 0.10 -0.04 2.15 2.29 1a7cA1 GLN 303 HB3 0.05 -0.09 0.05 -0.04 2.02 1.98 1a7cA1 GLN 303 HG2 0.06 0.07 -0.05 -0.04 2.40 2.44 1a7cA1 GLN 303 HG3 0.09 -0.08 -0.21 -0.04 2.39 2.15 1a7cA1 GLN 303 HE21 0.03 0.00 -0.02 -0.04 6.97 6.95 1a7cA1 GLN 303 HE22 0.04 0.01 -0.00 -0.04 7.69 7.70 1a7cA1 ALA 304 H 0.06 0.53 0.14 -0.55 8.40 8.59 1a7cA1 ALA 304 HA 0.05 -0.18 0.23 -0.75 4.34 3.69 1a7cA1 ALA 304 HB3 0.22 0.05 0.09 -0.04 1.41 1.73 1a7cA1 ASP 305 H -0.05 0.07 0.15 -0.55 8.40 8.03 1a7cA1 ASP 305 HA 0.06 0.21 0.91 -0.75 4.63 5.06 1a7cA1 ASP 305 HB2 -0.01 0.14 -0.00 -0.04 2.71 2.80 1a7cA1 ASP 305 HB3 -0.07 0.02 0.25 -0.04 2.70 2.85 1a7cA1 PHE 306 H 0.20 0.29 0.11 -0.55 8.34 8.38 1a7cA1 PHE 306 HA -0.04 0.26 1.03 -0.75 4.62 5.11 1a7cA1 PHE 306 HB2 -0.05 0.01 0.10 -0.04 3.15 3.17 1a7cA1 PHE 306 HB3 -0.08 -0.01 0.25 -0.04 3.06 3.18 1a7cA1 PHE 306 HD2 -0.07 0.05 -0.23 -0.04 7.28 6.99 1a7cA1 PHE 306 HE2 -0.09 0.02 -0.13 -0.04 7.38 7.14 1a7cA1 PHE 306 HZ -0.14 -0.02 -0.13 -0.04 7.32 6.99 1a7cA1 THR 307 H 0.02 0.03 -0.16 -0.55 8.28 7.63 1a7cA1 THR 307 HA 0.03 0.36 0.30 -0.75 4.39 4.32 1a7cA1 THR 307 HB 0.02 0.03 0.01 -0.04 4.32 4.34 1a7cA1 THR 307 HG23 0.03 0.00 0.03 -0.04 1.22 1.24 1a7cA1 SER 308 H -0.00 0.11 -0.60 -0.55 8.46 7.42 1a7cA1 SER 308 HA 0.06 0.04 0.46 -0.75 4.49 4.29 1a7cA1 SER 308 HB2 0.02 0.02 -0.54 -0.04 3.95 3.42 1a7cA1 SER 308 HB3 0.10 0.11 -0.00 -0.04 3.93 4.09 1a7cA1 LEU 309 H -0.00 0.35 -0.25 -0.55 8.37 7.92 1a7cA1 LEU 309 HA -0.47 0.11 0.81 -0.75 4.35 4.04 1a7cA1 LEU 309 HB2 -0.19 -0.03 0.11 -0.04 1.64 1.49 1a7cA1 LEU 309 HB3 -0.03 0.17 0.23 -0.04 1.64 1.97 1a7cA1 LEU 309 HG -0.29 -0.01 -0.29 -0.04 1.64 1.01 1a7cA1 LEU 309 HD13 -1.00 -0.02 -0.01 -0.04 0.93 -0.13 1a7cA1 LEU 309 HD23 -0.13 -0.01 -0.06 -0.04 0.89 0.64 1a7cA1 SER 310 H -0.02 0.55 0.22 -0.55 8.46 8.67 1a7cA1 SER 310 HA -0.04 0.07 0.63 -0.75 4.49 4.40 1a7cA1 SER 310 HB2 -0.10 0.10 -0.24 -0.04 3.95 3.67 1a7cA1 SER 310 HB3 -0.06 -0.01 -0.08 -0.04 3.93 3.74 1a7cA1 ASP 311 H -0.01 0.17 0.15 -0.55 8.40 8.17 1a7cA1 ASP 311 HA 0.01 0.15 0.70 -0.75 4.63 4.73 1a7cA1 ASP 311 HB2 0.00 -0.01 0.08 -0.04 2.71 2.74 1a7cA1 ASP 311 HB3 0.01 0.03 -0.02 -0.04 2.70 2.67 1a7cA1 GLN 312 H -0.01 0.04 0.06 -0.55 8.47 8.01 1a7cA1 GLN 312 HA -0.00 0.03 0.34 -0.75 4.36 3.98 1a7cA1 GLN 312 HB2 -0.02 -0.01 0.20 -0.04 2.15 2.28 1a7cA1 GLN 312 HB3 -0.02 0.00 0.08 -0.04 2.02 2.04 1a7cA1 GLN 312 HG2 -0.01 0.05 -0.16 -0.04 2.40 2.23 1a7cA1 GLN 312 HG3 -0.01 0.00 0.08 -0.04 2.39 2.42 1a7cA1 GLN 312 HE21 -0.01 0.10 -0.03 -0.04 6.97 6.99 1a7cA1 GLN 312 HE22 -0.01 0.01 -0.05 -0.04 7.69 7.59 1a7cA1 GLU 313 H -0.02 0.16 -0.27 -0.55 8.60 7.93 1a7cA1 GLU 313 HA -0.00 0.19 0.65 -0.75 4.29 4.37 1a7cA1 GLU 313 HB2 -0.02 0.10 0.03 -0.04 2.09 2.15 1a7cA1 GLU 313 HB3 -0.01 0.05 -0.16 -0.04 1.99 1.83 1a7cA1 GLU 313 HG2 -0.04 -0.16 -0.15 -0.04 2.34 1.95 1a7cA1 GLU 313 HG3 -0.06 0.04 -0.24 -0.04 2.34 2.05 1a7cA1 PRO 314 HA 0.02 0.01 0.60 -0.51 4.44 4.56 1a7cA1 PRO 314 HB2 0.01 0.16 0.04 -0.04 2.28 2.45 1a7cA1 PRO 314 HB3 0.04 0.01 0.11 -0.04 2.02 2.15 1a7cA1 PRO 314 HG2 0.00 -0.00 0.14 -0.04 2.03 2.12 1a7cA1 PRO 314 HG3 0.04 0.02 0.09 -0.04 2.03 2.14 1a7cA1 PRO 314 HD2 0.00 0.07 0.23 -0.04 3.68 3.95 1a7cA1 PRO 314 HD3 0.02 0.15 0.13 -0.04 3.65 3.91 1a7cA1 LEU 315 H -0.00 0.11 0.19 -0.55 8.37 8.11 1a7cA1 LEU 315 HA -0.15 0.19 0.85 -0.75 4.35 4.48 1a7cA1 LEU 315 HB2 -0.74 -0.05 -0.03 -0.04 1.64 0.77 1a7cA1 LEU 315 HB3 -0.68 -0.04 0.04 -0.04 1.64 0.92 1a7cA1 LEU 315 HG -0.16 0.15 -0.20 -0.04 1.64 1.39 1a7cA1 LEU 315 HD13 -0.31 -0.02 -0.08 -0.04 0.93 0.48 1a7cA1 LEU 315 HD23 -0.19 0.03 -0.16 -0.04 0.89 0.54 1a7cA1 HIS 316 H -0.40 0.31 0.15 -0.55 8.41 7.92 1a7cA1 HIS 316 HA 0.00 0.12 0.44 -0.75 4.63 4.44 1a7cA1 HIS 316 HB2 -0.02 0.06 -0.40 -0.04 3.26 2.86 1a7cA1 HIS 316 HB3 -0.08 0.12 -0.44 -0.04 3.20 2.76 1a7cA1 HIS 316 HD2 -0.15 0.03 -0.15 -0.04 6.97 6.65 1a7cA1 HIS 316 HE1 -0.05 0.00 -0.06 -0.04 7.75 7.59 1a7cA1 VAL 317 H 0.01 0.77 0.21 -0.55 8.24 8.69 1a7cA1 VAL 317 HA -0.19 -0.01 0.61 -0.75 4.13 3.79 1a7cA1 VAL 317 HB -0.42 0.00 -0.10 -0.04 2.12 1.56 1a7cA1 VAL 317 HG13 -0.01 0.00 -0.27 -0.04 0.97 0.65 1a7cA1 VAL 317 HG23 -0.02 0.01 -0.05 -0.04 0.95 0.85 1a7cA1 ALA 318 H -0.21 0.11 0.26 -0.55 8.40 8.02 1a7cA1 ALA 318 HA -0.01 0.17 0.69 -0.75 4.34 4.43 1a7cA1 ALA 318 HB3 -0.18 0.00 0.12 -0.04 1.41 1.31 1a7cA1 GLN 319 H -0.02 0.14 0.14 -0.55 8.47 8.18 1a7cA1 GLN 319 HA 0.08 0.13 0.78 -0.75 4.36 4.59 1a7cA1 GLN 319 HB2 -0.01 0.06 -0.25 -0.04 2.15 1.91 1a7cA1 GLN 319 HB3 -0.01 -0.00 0.04 -0.04 2.02 2.01 1a7cA1 GLN 319 HG2 0.03 -0.07 -0.13 -0.04 2.40 2.19 1a7cA1 GLN 319 HG3 0.02 0.03 0.03 -0.04 2.39 2.44 1a7cA1 GLN 319 HE21 -0.00 -0.05 -0.02 -0.04 6.97 6.86 1a7cA1 GLN 319 HE22 -0.00 0.04 -0.03 -0.04 7.69 7.66 1a7cA1 ALA 320 H 0.11 0.19 0.07 -0.55 8.40 8.22 1a7cA1 ALA 320 HA 0.08 0.20 0.80 -0.75 4.34 4.67 1a7cA1 ALA 320 HB3 0.22 0.01 -0.04 -0.04 1.41 1.55 1a7cA1 LEU 321 H 0.06 0.31 0.17 -0.55 8.37 8.37 1a7cA1 LEU 321 HA 0.09 0.12 0.93 -0.75 4.35 4.73 1a7cA1 LEU 321 HB2 0.06 0.26 0.15 -0.04 1.64 2.07 1a7cA1 LEU 321 HB3 0.05 -0.13 -0.16 -0.04 1.64 1.36 1a7cA1 LEU 321 HG 0.05 0.03 -0.27 -0.04 1.64 1.41 1a7cA1 LEU 321 HD13 0.03 0.00 -0.09 -0.04 0.93 0.84 1a7cA1 LEU 321 HD23 0.04 -0.01 -0.07 -0.04 0.89 0.81 1a7cA1 GLN 322 H 0.10 0.56 0.36 -0.55 8.47 8.95 1a7cA1 GLN 322 HA 0.06 0.17 0.95 -0.75 4.36 4.79 1a7cA1 GLN 322 HB2 0.07 -0.01 -0.13 -0.04 2.15 2.03 1a7cA1 GLN 322 HB3 0.12 -0.02 0.09 -0.04 2.02 2.16 1a7cA1 GLN 322 HG2 0.01 0.08 -0.15 -0.04 2.40 2.30 1a7cA1 GLN 322 HG3 -0.02 0.05 0.06 -0.04 2.39 2.45 1a7cA1 GLN 322 HE21 -0.52 0.18 0.10 -0.04 6.97 6.69 1a7cA1 GLN 322 HE22 -0.15 0.03 -0.10 -0.04 7.69 7.43 1a7cA1 LYS 323 H 0.07 0.24 0.19 -0.55 8.42 8.37 1a7cA1 LYS 323 HA 0.09 0.30 1.14 -0.75 4.32 5.09 1a7cA1 LYS 323 HB2 0.06 -0.02 0.03 -0.04 1.87 1.90 1a7cA1 LYS 323 HB3 0.07 -0.04 0.15 -0.04 1.79 1.94 1a7cA1 LYS 323 HG2 0.07 0.02 -0.13 -0.04 1.46 1.37 1a7cA1 LYS 323 HG3 0.06 0.04 -0.00 -0.04 1.46 1.52 1a7cA1 LYS 323 HD2 0.05 0.07 -0.03 -0.04 1.69 1.74 1a7cA1 LYS 323 HD3 0.05 -0.11 -0.14 -0.04 1.68 1.44 1a7cA1 LYS 323 HE2 0.05 -0.01 -0.10 -0.04 2.99 2.89 1a7cA1 LYS 323 HE3 0.04 0.00 -0.09 -0.04 2.99 2.91 1a7cA1 VAL 324 H 0.11 0.70 0.36 -0.55 8.24 8.86 1a7cA1 VAL 324 HA 0.14 0.19 0.99 -0.75 4.13 4.69 1a7cA1 VAL 324 HB 0.18 0.06 -0.13 -0.04 2.12 2.19 1a7cA1 VAL 324 HG13 0.28 0.01 -0.22 -0.04 0.97 1.00 1a7cA1 VAL 324 HG23 0.12 -0.04 -0.28 -0.04 0.95 0.72 1a7cA1 LYS 325 H 0.08 0.28 0.19 -0.55 8.42 8.41 1a7cA1 LYS 325 HA 0.06 0.29 1.08 -0.75 4.32 5.00 1a7cA1 LYS 325 HB2 0.05 -0.04 -0.16 -0.04 1.87 1.68 1a7cA1 LYS 325 HB3 0.03 -0.01 0.04 -0.04 1.79 1.81 1a7cA1 LYS 325 HG2 0.00 -0.02 -0.13 -0.04 1.46 1.27 1a7cA1 LYS 325 HG3 0.03 0.03 0.03 -0.04 1.46 1.51 1a7cA1 LYS 325 HD2 0.03 -0.01 -0.01 -0.04 1.69 1.66 1a7cA1 LYS 325 HD3 0.02 0.00 -0.03 -0.04 1.68 1.64 1a7cA1 LYS 325 HE2 0.00 -0.03 -0.06 -0.04 2.99 2.86 1a7cA1 LYS 325 HE3 0.01 -0.03 -0.06 -0.04 2.99 2.87 1a7cA1 ILE 326 H 0.03 0.75 0.35 -0.55 8.25 8.84 1a7cA1 ILE 326 HA -0.13 0.14 0.71 -0.75 4.18 4.15 1a7cA1 ILE 326 HB -0.04 0.02 -0.21 -0.04 1.89 1.62 1a7cA1 ILE 326 HG12 -0.17 0.02 -0.30 -0.04 1.49 0.99 1a7cA1 ILE 326 HG13 -0.18 0.03 0.05 -0.04 1.21 1.07 1a7cA1 ILE 326 HG23 0.19 -0.01 -0.14 -0.04 0.93 0.93 1a7cA1 ILE 326 HD13 -0.10 -0.01 -0.15 -0.04 0.88 0.59 1a7cA1 GLU 327 H -0.17 0.27 0.16 -0.55 8.60 8.32 1a7cA1 GLU 327 HA -0.15 0.30 1.09 -0.75 4.29 4.77 1a7cA1 GLU 327 HB2 -0.13 -0.03 0.11 -0.04 2.09 2.00 1a7cA1 GLU 327 HB3 -0.11 0.04 0.01 -0.04 1.99 1.89 1a7cA1 GLU 327 HG2 -0.05 0.02 -0.01 -0.04 2.34 2.26 1a7cA1 GLU 327 HG3 -0.06 -0.07 -0.52 -0.04 2.34 1.66 1a7cA1 VAL 328 H -0.44 0.84 0.33 -0.55 8.24 8.42 1a7cA1 VAL 328 HA -0.22 0.13 0.96 -0.75 4.13 4.26 1a7cA1 VAL 328 HB -1.21 -0.09 0.18 -0.04 2.12 0.97 1a7cA1 VAL 328 HG13 0.05 0.01 -0.12 -0.04 0.97 0.87 1a7cA1 VAL 328 HG23 -0.48 -0.01 -0.18 -0.04 0.95 0.24 1a7cA1 ASN 329 H -0.01 0.20 0.09 -0.55 8.53 8.26 1a7cA1 ASN 329 HA -0.05 0.19 0.63 -0.75 4.76 4.77 1a7cA1 ASN 329 HB2 -0.01 -0.16 0.19 -0.04 2.88 2.87 1a7cA1 ASN 329 HB3 -0.06 0.10 -0.07 -0.04 2.79 2.72 1a7cA1 ASN 329 HD21 -0.07 0.01 -0.06 -0.04 7.03 6.87 1a7cA1 ASN 329 HD22 -0.05 0.00 -0.08 -0.04 7.74 7.57 1a7cA1 GLU 330 H 0.05 0.14 0.14 -0.55 8.60 8.38 1a7cA1 GLU 330 HA 0.28 0.06 0.46 -0.75 4.29 4.34 1a7cA1 GLU 330 HB2 0.09 -0.04 0.14 -0.04 2.09 2.24 1a7cA1 GLU 330 HB3 0.17 0.29 0.04 -0.04 1.99 2.44 1a7cA1 GLU 330 HG2 0.06 0.05 -0.13 -0.04 2.34 2.28 1a7cA1 GLU 330 HG3 0.01 -0.02 -0.03 -0.04 2.34 2.26 1a7cA1 SER 331 H 0.11 0.22 0.03 -0.55 8.46 8.28 1a7cA1 SER 331 HA 0.21 0.05 0.70 -0.75 4.49 4.70 1a7cA1 SER 331 HB2 0.13 0.06 -0.14 -0.04 3.95 3.96 1a7cA1 SER 331 HB3 0.06 -0.02 -0.01 -0.04 3.93 3.92 1a7cA1 GLY 332 H -0.07 0.06 0.18 -0.55 8.43 8.06 1a7cA1 GLY 332 HA2 -0.11 0.17 0.76 -0.51 4.01 4.32 1a7cA1 GLY 332 HA3 -0.19 0.09 0.34 -0.51 4.01 3.73 1a7cA1 THR 333 H -0.14 0.09 0.04 -0.55 8.28 7.72 1a7cA1 THR 333 HA -0.09 0.06 0.17 -0.75 4.39 3.78 1a7cA1 THR 333 HB -0.11 -0.05 -0.24 -0.04 4.32 3.89 1a7cA1 THR 333 HG23 -0.07 0.09 0.08 -0.04 1.22 1.28 1a7cA1 ALA 348 HA -0.02 -0.05 0.16 -0.75 4.34 3.69 1a7cA1 ALA 348 HB3 -0.01 -0.02 -0.01 -0.04 1.41 1.33 1a7cA1 PRO 349 HA -0.03 0.11 0.47 -0.51 4.44 4.49 1a7cA1 PRO 349 HB2 -0.01 -0.03 -0.16 -0.04 2.28 2.04 1a7cA1 PRO 349 HB3 -0.03 0.01 -0.35 -0.04 2.02 1.62 1a7cA1 PRO 349 HG2 -0.02 -0.01 -0.06 -0.04 2.03 1.90 1a7cA1 PRO 349 HG3 -0.03 0.03 -0.07 -0.04 2.03 1.92 1a7cA1 PRO 349 HD2 -0.01 0.06 0.10 -0.04 3.68 3.79 1a7cA1 PRO 349 HD3 -0.02 0.09 0.11 -0.04 3.65 3.80 1a7cA1 GLU 350 H -0.05 0.21 0.22 -0.55 8.60 8.44 1a7cA1 GLU 350 HA -0.02 0.05 0.51 -0.75 4.29 4.08 1a7cA1 GLU 350 HB2 -0.06 0.02 0.16 -0.04 2.09 2.18 1a7cA1 GLU 350 HB3 -0.10 0.01 0.09 -0.04 1.99 1.95 1a7cA1 GLU 350 HG2 -0.01 0.09 -0.00 -0.04 2.34 2.38 1a7cA1 GLU 350 HG3 -0.00 -0.03 0.09 -0.04 2.34 2.36 1a7cA1 GLU 351 H -0.01 0.10 0.19 -0.55 8.60 8.34 1a7cA1 GLU 351 HA -0.01 0.21 0.97 -0.75 4.29 4.69 1a7cA1 GLU 351 HB2 -0.01 -0.05 0.14 -0.04 2.09 2.13 1a7cA1 GLU 351 HB3 -0.01 -0.00 -0.09 -0.04 1.99 1.85 1a7cA1 GLU 351 HG2 0.00 0.02 -0.05 -0.04 2.34 2.27 1a7cA1 GLU 351 HG3 -0.00 0.07 -0.03 -0.04 2.34 2.33 1a7cA1 ILE 352 H -0.02 0.81 0.29 -0.55 8.25 8.78 1a7cA1 ILE 352 HA -0.02 0.14 0.88 -0.75 4.18 4.43 1a7cA1 ILE 352 HB -0.06 0.01 0.15 -0.04 1.89 1.94 1a7cA1 ILE 352 HG12 0.01 0.04 -0.14 -0.04 1.49 1.35 1a7cA1 ILE 352 HG13 -0.07 -0.01 -0.36 -0.04 1.21 0.73 1a7cA1 ILE 352 HG23 -0.03 -0.01 -0.15 -0.04 0.93 0.70 1a7cA1 ILE 352 HD13 -0.07 -0.01 -0.11 -0.04 0.88 0.65 1a7cA1 ILE 353 H -0.05 0.23 0.06 -0.55 8.25 7.94 1a7cA1 ILE 353 HA -0.05 0.20 1.08 -0.75 4.18 4.67 1a7cA1 ILE 353 HB -0.03 -0.01 0.13 -0.04 1.89 1.94 1a7cA1 ILE 353 HG12 -0.02 0.05 -0.15 -0.04 1.49 1.33 1a7cA1 ILE 353 HG13 -0.02 -0.08 -0.29 -0.04 1.21 0.77 1a7cA1 ILE 353 HG23 -0.00 -0.01 -0.13 -0.04 0.93 0.75 1a7cA1 ILE 353 HD13 -0.00 0.00 -0.05 -0.04 0.88 0.79 1a7cA1 MET 354 H -0.09 0.81 0.23 -0.55 8.47 8.87 1a7cA1 MET 354 HA -0.06 0.13 0.67 -0.75 4.52 4.50 1a7cA1 MET 354 HB2 -0.28 0.03 0.33 -0.04 2.15 2.20 1a7cA1 MET 354 HB3 -0.50 0.02 0.17 -0.04 2.03 1.67 1a7cA1 MET 354 HG2 -0.23 0.03 -0.09 -0.04 2.63 2.30 1a7cA1 MET 354 HG3 -0.59 -0.04 -0.03 -0.04 2.56 1.85 1a7cA1 MET 354 HE3 -0.07 -0.01 -0.23 -0.04 2.10 1.75 1a7cA1 ASP 355 H -0.03 0.41 -0.18 -0.55 8.40 8.06 1a7cA1 ASP 355 HA 0.09 0.16 0.78 -0.75 4.63 4.91 1a7cA1 ASP 355 HB2 0.02 0.19 0.32 -0.04 2.71 3.19 1a7cA1 ASP 355 HB3 0.04 -0.05 -0.04 -0.04 2.70 2.61 1a7cA1 ARG 356 H -0.10 0.34 -0.33 -0.55 8.46 7.81 1a7cA1 ARG 356 HA -0.70 0.29 0.68 -0.75 4.34 3.86 1a7cA1 ARG 356 HB2 -0.10 0.08 0.11 -0.04 1.90 1.95 1a7cA1 ARG 356 HB3 -0.14 0.00 -0.04 -0.04 1.80 1.58 1a7cA1 ARG 356 HG2 -0.07 -0.07 -0.09 -0.04 1.67 1.40 1a7cA1 ARG 356 HG3 -0.01 -0.07 -0.07 -0.04 1.67 1.48 1a7cA1 ARG 356 HD2 -0.04 -0.04 -0.09 -0.04 3.22 3.00 1a7cA1 ARG 356 HD3 0.01 0.04 -0.08 -0.04 3.22 3.15 1a7cA1 PRO 357 HA 0.27 0.29 0.56 -0.51 4.44 5.05 1a7cA1 PRO 357 HB2 0.05 -0.10 0.16 -0.04 2.28 2.35 1a7cA1 PRO 357 HB3 0.06 -0.01 0.10 -0.04 2.02 2.13 1a7cA1 PRO 357 HG2 0.05 -0.11 0.20 -0.04 2.03 2.13 1a7cA1 PRO 357 HG3 0.19 0.11 0.22 -0.04 2.03 2.51 1a7cA1 PRO 357 HD2 -0.05 0.10 0.24 -0.04 3.68 3.94 1a7cA1 PRO 357 HD3 -0.20 0.44 0.31 -0.04 3.65 4.17 1a7cA1 PHE 358 H -0.20 0.29 0.35 -0.55 8.34 8.22 1a7cA1 PHE 358 HA 0.06 0.16 0.92 -0.75 4.62 5.01 1a7cA1 PHE 358 HB2 0.09 0.09 0.10 -0.04 3.15 3.38 1a7cA1 PHE 358 HB3 0.08 0.10 -0.12 -0.04 3.06 3.07 1a7cA1 PHE 358 HD2 0.20 0.24 -0.17 -0.04 7.28 7.50 1a7cA1 PHE 358 HE2 0.15 -0.01 -0.09 -0.04 7.38 7.39 1a7cA1 PHE 358 HZ -0.01 0.04 -0.09 -0.04 7.32 7.21 1a7cA1 LEU 359 H 0.28 0.76 0.43 -0.55 8.37 9.29 1a7cA1 LEU 359 HA 0.05 0.25 1.02 -0.75 4.35 4.92 1a7cA1 LEU 359 HB2 0.13 0.03 0.12 -0.04 1.64 1.88 1a7cA1 LEU 359 HB3 0.18 -0.05 -0.01 -0.04 1.64 1.72 1a7cA1 LEU 359 HG 0.10 0.00 -0.03 -0.04 1.64 1.67 1a7cA1 LEU 359 HD13 0.16 -0.01 -0.14 -0.04 0.93 0.89 1a7cA1 LEU 359 HD23 -0.00 0.00 -0.03 -0.04 0.89 0.82 1a7cA1 PHE 360 H -0.18 0.51 0.42 -0.55 8.34 8.54 1a7cA1 PHE 360 HA 0.29 0.43 0.96 -0.75 4.62 5.55 1a7cA1 PHE 360 HB2 0.36 0.01 0.03 -0.04 3.15 3.52 1a7cA1 PHE 360 HB3 0.42 0.04 -0.13 -0.04 3.06 3.34 1a7cA1 PHE 360 HD2 0.11 0.03 -0.34 -0.04 7.28 7.04 1a7cA1 PHE 360 HE2 0.08 -0.02 -0.29 -0.04 7.38 7.11 1a7cA1 PHE 360 HZ 0.17 -0.03 -0.21 -0.04 7.32 7.22 1a7cA1 VAL 361 H 0.48 0.57 0.32 -0.55 8.24 9.07 1a7cA1 VAL 361 HA 0.14 0.20 0.97 -0.75 4.13 4.69 1a7cA1 VAL 361 HB 0.38 -0.06 0.09 -0.04 2.12 2.49 1a7cA1 VAL 361 HG13 0.08 -0.00 -0.15 -0.04 0.97 0.86 1a7cA1 VAL 361 HG23 0.14 -0.00 -0.24 -0.04 0.95 0.81 1a7cA1 VAL 362 H 0.29 0.75 0.32 -0.55 8.24 9.05 1a7cA1 VAL 362 HA 0.35 0.33 1.08 -0.75 4.13 5.13 1a7cA1 VAL 362 HB 0.29 -0.18 0.20 -0.04 2.12 2.39 1a7cA1 VAL 362 HG13 -0.23 0.01 -0.14 -0.04 0.97 0.56 1a7cA1 VAL 362 HG23 0.41 0.01 -0.12 -0.04 0.95 1.20 1a7cA1 ARG 363 H 0.28 0.70 0.36 -0.55 8.46 9.25 1a7cA1 ARG 363 HA 0.11 0.20 1.09 -0.75 4.34 4.99 1a7cA1 ARG 363 HB2 0.22 -0.04 -0.31 -0.04 1.90 1.73 1a7cA1 ARG 363 HB3 0.45 0.00 -0.05 -0.04 1.80 2.17 1a7cA1 ARG 363 HG2 0.15 -0.01 -0.58 -0.04 1.67 1.19 1a7cA1 ARG 363 HG3 0.09 0.02 -0.46 -0.04 1.67 1.28 1a7cA1 ARG 363 HD2 -0.08 -0.04 -0.23 -0.04 3.22 2.83 1a7cA1 ARG 363 HD3 0.14 0.00 -0.22 -0.04 3.22 3.10 1a7cA1 HIS 364 H 0.14 0.69 0.24 -0.55 8.41 8.93 1a7cA1 HIS 364 HA 0.04 0.18 0.79 -0.75 4.63 4.89 1a7cA1 HIS 364 HB2 -0.07 0.03 0.10 -0.04 3.26 3.28 1a7cA1 HIS 364 HB3 -0.02 -0.18 0.27 -0.04 3.20 3.23 1a7cA1 HIS 364 HD2 -0.01 -0.01 -0.05 -0.04 6.97 6.86 1a7cA1 HIS 364 HE1 0.12 0.01 -0.10 -0.04 7.75 7.73 1a7cA1 ASN 365 H -0.03 0.60 0.25 -0.55 8.53 8.80 1a7cA1 ASN 365 HA 0.08 -0.03 0.32 -0.75 4.76 4.38 1a7cA1 ASN 365 HB2 0.02 0.14 0.06 -0.04 2.88 3.06 1a7cA1 ASN 365 HB3 0.08 -0.00 -0.05 -0.04 2.79 2.78 1a7cA1 ASN 365 HD21 0.15 -0.09 -0.22 -0.04 7.03 6.82 1a7cA1 ASN 365 HD22 0.09 0.08 -0.29 -0.04 7.74 7.59 1a7cA1 PRO 366 HA 0.02 0.10 0.47 -0.51 4.44 4.52 1a7cA1 PRO 366 HB2 0.08 -0.02 0.01 -0.04 2.28 2.30 1a7cA1 PRO 366 HB3 0.05 0.03 0.06 -0.04 2.02 2.12 1a7cA1 PRO 366 HG2 -0.11 0.06 0.07 -0.04 2.03 2.01 1a7cA1 PRO 366 HG3 -0.04 0.08 0.08 -0.04 2.03 2.11 1a7cA1 PRO 366 HD2 -1.06 -0.00 -0.01 -0.04 3.68 2.57 1a7cA1 PRO 366 HD3 -0.22 0.26 0.27 -0.04 3.65 3.91 1a7cA1 THR 367 H 0.19 0.11 -0.23 -0.55 8.28 7.81 1a7cA1 THR 367 HA 0.12 0.17 0.77 -0.75 4.39 4.70 1a7cA1 THR 367 HB 0.05 -0.00 -0.01 -0.04 4.32 4.32 1a7cA1 THR 367 HG23 0.22 0.00 -0.11 -0.04 1.22 1.28 1a7cA1 GLY 368 H 0.14 0.47 -0.01 -0.55 8.43 8.49 1a7cA1 GLY 368 HA2 0.13 0.02 0.17 -0.51 4.01 3.83 1a7cA1 GLY 368 HA3 0.32 0.11 0.50 -0.51 4.01 4.43 1a7cA1 THR 369 H 0.14 0.14 -0.06 -0.55 8.28 7.96 1a7cA1 THR 369 HA 0.07 0.17 0.53 -0.75 4.39 4.40 1a7cA1 THR 369 HB -0.02 -0.07 0.11 -0.04 4.32 4.29 1a7cA1 THR 369 HG23 -0.17 0.01 -0.21 -0.04 1.22 0.80 1a7cA1 VAL 370 H 0.06 0.21 0.13 -0.55 8.24 8.09 1a7cA1 VAL 370 HA 0.04 0.18 0.76 -0.75 4.13 4.35 1a7cA1 VAL 370 HB 0.02 -0.06 0.17 -0.04 2.12 2.21 1a7cA1 VAL 370 HG13 -0.01 -0.01 -0.15 -0.04 0.97 0.77 1a7cA1 VAL 370 HG23 -0.01 0.04 -0.06 -0.04 0.95 0.87 1a7cA1 LEU 371 H -0.03 0.47 0.28 -0.55 8.37 8.54 1a7cA1 LEU 371 HA -0.22 -0.04 0.60 -0.75 4.35 3.94 1a7cA1 LEU 371 HB2 -0.13 0.04 0.05 -0.04 1.64 1.56 1a7cA1 LEU 371 HB3 -0.50 -0.01 -0.08 -0.04 1.64 1.00 1a7cA1 LEU 371 HG -0.16 0.02 -0.12 -0.04 1.64 1.33 1a7cA1 LEU 371 HD13 -0.24 0.01 -0.12 -0.04 0.93 0.54 1a7cA1 LEU 371 HD23 -0.38 -0.01 -0.10 -0.04 0.89 0.36 1a7cA1 PHE 372 H 0.10 0.36 0.28 -0.55 8.34 8.52 1a7cA1 PHE 372 HA 0.04 0.28 0.93 -0.75 4.62 5.12 1a7cA1 PHE 372 HB2 0.18 -0.08 0.03 -0.04 3.15 3.23 1a7cA1 PHE 372 HB3 0.24 0.04 0.07 -0.04 3.06 3.36 1a7cA1 PHE 372 HD2 0.00 -0.01 -0.11 -0.04 7.28 7.12 1a7cA1 PHE 372 HE2 0.04 -0.02 -0.09 -0.04 7.38 7.27 1a7cA1 PHE 372 HZ 0.06 0.05 -0.16 -0.04 7.32 7.23 1a7cA1 MET 373 H 0.12 0.67 0.38 -0.55 8.47 9.08 1a7cA1 MET 373 HA -0.35 0.22 0.54 -0.75 4.52 4.18 1a7cA1 MET 373 HB2 -0.40 0.12 0.27 -0.04 2.15 2.10 1a7cA1 MET 373 HB3 -0.16 0.01 -0.08 -0.04 2.03 1.76 1a7cA1 MET 373 HG2 -0.27 -0.08 -0.18 -0.04 2.63 2.06 1a7cA1 MET 373 HG3 -1.47 0.02 -0.25 -0.04 2.56 0.82 1a7cA1 MET 373 HE3 -0.32 0.01 -0.09 -0.04 2.10 1.66 1a7cA1 GLY 374 H -0.97 0.54 0.40 -0.55 8.43 7.86 1a7cA1 GLY 374 HA2 -0.17 0.03 0.36 -0.51 4.01 3.72 1a7cA1 GLY 374 HA3 -0.39 0.08 0.64 -0.51 4.01 3.83 1a7cA1 GLN 375 H 0.06 0.45 0.33 -0.55 8.47 8.77 1a7cA1 GLN 375 HA -0.06 0.30 1.01 -0.75 4.36 4.85 1a7cA1 GLN 375 HB2 -0.00 0.03 -0.05 -0.04 2.15 2.09 1a7cA1 GLN 375 HB3 0.11 -0.02 -0.05 -0.04 2.02 2.02 1a7cA1 GLN 375 HG2 0.12 -0.07 0.13 -0.04 2.40 2.54 1a7cA1 GLN 375 HG3 0.01 -0.02 0.12 -0.04 2.39 2.46 1a7cA1 GLN 375 HE21 -0.07 0.09 -0.03 -0.04 6.97 6.92 1a7cA1 GLN 375 HE22 -0.03 0.38 0.04 -0.04 7.69 8.03 1a7cA1 VAL 376 H -0.38 0.80 0.23 -0.55 8.24 8.34 1a7cA1 VAL 376 HA -0.27 0.04 0.80 -0.75 4.13 3.94 1a7cA1 VAL 376 HB -1.51 0.05 0.15 -0.04 2.12 0.77 1a7cA1 VAL 376 HG13 -0.55 0.01 -0.26 -0.04 0.97 0.13 1a7cA1 VAL 376 HG23 -0.90 0.01 -0.18 -0.04 0.95 -0.16 1a7cA1 MET 377 H -0.10 0.16 -0.05 -0.55 8.47 7.94 1a7cA1 MET 377 HA 0.07 0.14 0.71 -0.75 4.52 4.68 1a7cA1 MET 377 HB2 -0.01 -0.06 -0.22 -0.04 2.15 1.81 1a7cA1 MET 377 HB3 0.03 0.01 -0.05 -0.04 2.03 1.98 1a7cA1 MET 377 HG2 -0.02 0.04 -0.44 -0.04 2.63 2.16 1a7cA1 MET 377 HG3 -0.01 0.01 -0.61 -0.04 2.56 1.92 1a7cA1 MET 377 HE3 0.02 0.02 0.10 -0.04 2.10 2.20 1a7cA1 GLU 378 H -0.15 0.05 -0.15 -0.55 8.60 7.80 1a7cA1 GLU 378 HA -0.37 0.18 0.36 -0.75 4.29 3.70 1a7cA1 GLU 378 HB2 -0.01 0.10 -0.10 -0.04 2.09 2.04 1a7cA1 GLU 378 HB3 -0.06 -0.05 0.06 -0.04 1.99 1.89 1a7cA1 GLU 378 HG2 -0.10 -0.05 -0.26 -0.04 2.34 1.89 1a7cA1 GLU 378 HG3 -0.08 0.04 -0.05 -0.04 2.34 2.20 1a7cA1 PRO 379 HA -0.15 0.05 0.16 -0.51 4.44 3.99 1a7cA1 PRO 379 HB2 -0.21 0.03 0.01 -0.04 2.28 2.06 1a7cA1 PRO 379 HB3 -0.05 0.15 -0.05 -0.04 2.02 2.03 1a7cA1 PRO 379 HG2 -0.75 0.11 -0.09 -0.04 2.03 1.27 1a7cA1 PRO 379 HG3 -0.48 0.04 -0.14 -0.04 2.03 1.41 1a7cA1 PRO 379 HD2 -0.95 0.11 -0.03 -0.04 3.68 2.76 1a7cA1 PRO 379 HD3 -1.58 0.16 -0.19 -0.04 3.65 2.00