============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 4 1.000 13.233 20.906 46.933 -99.200 -91.000 TRP 13 1.040 3.708 25.513 40.743 -99.200 -91.000 TRP6 13 1.020 1.996 26.682 41.848 -99.200 -91.000 HIS 16 0.900 7.399 27.998 32.549 -99.200 -91.000 TRP 30 1.040 2.129 17.406 16.022 -99.200 -91.000 TRP6 30 1.020 3.594 17.575 17.869 -99.200 -91.000 PHE 36 1.000 6.199 4.710 20.068 -99.200 -91.000 TYR 54 0.840 8.453 4.446 11.682 -99.200 -91.000 TYR 64 0.840 21.954 14.882 33.214 -99.200 -91.000 HIS 67 0.900 15.097 6.431 35.962 -99.200 -91.000 TYR 77 0.840 -2.832 19.089 30.547 -99.200 -91.000 PHE 79 1.000 1.448 15.472 34.375 -99.200 -91.000 TRP 93 1.040 -5.478 18.251 23.586 -99.200 -91.000 TRP6 93 1.020 -7.632 18.667 24.460 -99.200 -91.000 TRP 120 1.040 -11.701 10.628 41.179 -99.200 -91.000 TRP6 120 1.020 -11.525 12.450 42.669 -99.200 -91.000 TYR 124 0.840 -5.762 15.534 43.089 -99.200 -91.000 TYR 130 0.840 15.591 6.251 44.223 -99.200 -91.000 TRP 131 1.040 17.483 13.665 50.971 -99.200 -91.000 TRP6 131 1.020 17.450 12.326 52.921 -99.200 -91.000 TYR 135 0.840 2.990 9.810 49.255 -99.200 -91.000 TYR 156 0.840 7.940 -6.871 55.780 -99.200 -91.000 TYR 161 0.840 12.951 6.695 61.925 -99.200 -91.000 HIS 162 0.900 15.803 2.521 56.225 -99.200 -91.000 HIS 174 0.900 -6.207 1.144 35.307 -99.200 -91.000 TYR 175 0.840 -10.716 -3.271 39.787 -99.200 -91.000 PHE 179 1.000 -1.986 9.448 42.314 -99.200 -91.000 TYR 194 0.840 -6.696 9.924 43.035 -99.200 -91.000 PHE 210 1.000 16.252 -4.345 50.799 -99.200 -91.000 HIS 212 0.900 13.686 -0.352 41.511 -99.200 -91.000 HIS 220 0.900 -5.560 -2.443 33.073 -99.200 -91.000 TYR 222 0.840 -6.155 -9.508 41.775 -99.200 -91.000 PHE 223 1.000 2.270 -2.379 42.456 -99.200 -91.000 HIS 255 0.900 14.489 -3.661 36.294 -99.200 -91.000 PHE 262 1.000 2.678 -14.550 28.315 -99.200 -91.000 HIS 264 0.900 1.687 -20.796 29.172 -99.200 -91.000 PHE 267 1.000 1.763 -22.798 32.896 -99.200 -91.000 TRP 271 1.040 3.151 -8.647 35.553 -99.200 -91.000 TRP6 271 1.020 5.059 -8.980 36.896 -99.200 -91.000 HIS 275 0.900 14.123 -13.219 37.453 -99.200 -91.000 HIS 291 0.900 -7.283 -19.960 33.620 -99.200 -91.000 TRP 296 1.040 -3.000 -14.272 43.246 -99.200 -91.000 TRP6 296 1.020 -2.685 -12.688 41.525 -99.200 -91.000 PHE 302 1.000 10.051 -18.982 29.707 -99.200 -91.000 PHE 311 1.000 12.997 -1.429 31.332 -99.200 -91.000 HIS 315 0.900 -0.824 -4.131 22.015 -99.200 -91.000 TYR 320 0.840 6.240 -13.388 17.461 -99.200 -91.000 TYR 322 0.840 8.939 -8.420 20.706 -99.200 -91.000 PHE 340 1.000 11.633 -16.609 25.581 -99.200 -91.000 PHE 354 1.000 16.529 -17.298 23.541 -99.200 -91.000 TRP 362 1.040 18.273 -6.397 12.291 -99.200 -91.000 TRP6 362 1.020 16.176 -7.043 13.143 -99.200 -91.000 PHE 377 1.000 4.445 -4.666 21.417 -99.200 -91.000 TRP 385 1.040 8.593 2.395 17.915 -99.200 -91.000 TRP6 385 1.020 9.012 4.707 17.651 -99.200 -91.000 PHE 386 1.000 13.030 -4.164 21.402 -99.200 -91.000 TRP 389 1.040 21.916 4.553 27.075 -99.200 -91.000 TRP6 389 1.020 21.626 3.413 29.121 -99.200 -91.000 HIS 410 0.900 12.342 4.433 9.612 -99.200 -91.000 PHE 424 1.000 8.239 5.407 29.350 -99.200 -91.000 TYR 427 0.840 -5.063 3.557 23.563 -99.200 -91.000 TYR 434 0.840 1.437 -2.377 32.344 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dy7A1 PRO 134 HA -0.09 -0.03 0.21 -0.51 4.44 4.03 1dy7A1 PRO 134 HB2 -0.50 0.02 -0.06 -0.04 2.28 1.69 1dy7A1 PRO 134 HB3 -0.71 -0.01 0.02 -0.04 2.02 1.28 1dy7A1 PRO 134 HG2 -0.50 -0.01 0.01 -0.04 2.03 1.49 1dy7A1 PRO 134 HG3 -0.33 -0.02 0.02 -0.04 2.03 1.66 1dy7A1 PRO 134 HD2 0.07 -0.02 0.06 -0.04 3.68 3.75 1dy7A1 PRO 134 HD3 -0.05 -0.03 0.02 -0.04 3.65 3.56 1dy7A1 PRO 135 HA 0.18 -0.01 0.56 -0.51 4.44 4.66 1dy7A1 PRO 135 HB2 0.21 0.15 -0.00 -0.04 2.28 2.60 1dy7A1 PRO 135 HB3 0.12 -0.02 0.10 -0.04 2.02 2.18 1dy7A1 PRO 135 HG2 0.22 0.04 0.05 -0.04 2.03 2.30 1dy7A1 PRO 135 HG3 0.11 0.02 0.06 -0.04 2.03 2.18 1dy7A1 PRO 135 HD2 -0.01 0.08 0.16 -0.04 3.68 3.87 1dy7A1 PRO 135 HD3 0.04 0.11 0.13 -0.04 3.65 3.88 1dy7A1 GLU 136 H 0.16 0.04 0.19 -0.55 8.60 8.44 1dy7A1 GLU 136 HA 0.14 0.16 0.60 -0.75 4.29 4.44 1dy7A1 GLU 136 HB2 0.06 -0.04 0.09 -0.04 2.09 2.16 1dy7A1 GLU 136 HB3 0.03 -0.08 0.08 -0.04 1.99 1.97 1dy7A1 GLU 136 HG2 0.14 0.07 0.04 -0.04 2.34 2.55 1dy7A1 GLU 136 HG3 0.06 -0.02 0.03 -0.04 2.34 2.37 1dy7A1 PHE 137 H 0.08 0.18 -0.04 -0.55 8.34 8.01 1dy7A1 PHE 137 HA 0.02 0.06 0.59 -0.75 4.62 4.54 1dy7A1 PHE 137 HB2 0.05 0.07 -0.28 -0.04 3.15 2.94 1dy7A1 PHE 137 HB3 -0.03 0.07 0.05 -0.04 3.06 3.11 1dy7A1 PHE 137 HD2 0.03 0.05 -0.26 -0.04 7.28 7.06 1dy7A1 PHE 137 HE2 0.04 0.14 -0.23 -0.04 7.38 7.29 1dy7A1 PHE 137 HZ 0.05 0.03 -0.17 -0.04 7.32 7.19 1dy7A1 GLY 138 H -0.15 0.07 -0.02 -0.55 8.43 7.78 1dy7A1 GLY 138 HA2 -0.03 0.29 0.65 -0.51 4.01 4.40 1dy7A1 GLY 138 HA3 -0.06 -0.02 0.33 -0.51 4.01 3.75 1dy7A1 MET 139 H -0.06 0.19 0.14 -0.55 8.47 8.19 1dy7A1 MET 139 HA -0.06 0.14 0.33 -0.75 4.52 4.18 1dy7A1 MET 139 HB2 -0.06 0.05 0.11 -0.04 2.15 2.21 1dy7A1 MET 139 HB3 -0.05 -0.04 0.11 -0.04 2.03 2.02 1dy7A1 MET 139 HG2 -0.04 0.05 -0.01 -0.04 2.63 2.58 1dy7A1 MET 139 HG3 -0.04 -0.01 -0.17 -0.04 2.56 2.30 1dy7A1 MET 139 HE3 -0.08 0.02 -0.16 -0.04 2.10 1.84 1dy7A1 LYS 140 H -0.07 0.06 -0.10 -0.55 8.42 7.75 1dy7A1 LYS 140 HA -0.03 0.13 0.45 -0.75 4.32 4.12 1dy7A1 LYS 140 HB2 -0.04 0.01 0.09 -0.04 1.87 1.90 1dy7A1 LYS 140 HB3 -0.07 -0.06 0.05 -0.04 1.79 1.67 1dy7A1 LYS 140 HG2 -0.05 0.04 -0.20 -0.04 1.46 1.21 1dy7A1 LYS 140 HG3 -0.02 0.03 0.04 -0.04 1.46 1.47 1dy7A1 LYS 140 HD2 -0.02 -0.00 0.00 -0.04 1.69 1.63 1dy7A1 LYS 140 HD3 -0.03 -0.01 -0.03 -0.04 1.68 1.56 1dy7A1 LYS 140 HE2 -0.01 0.00 -0.02 -0.04 2.99 2.92 1dy7A1 LYS 140 HE3 -0.02 0.02 -0.04 -0.04 2.99 2.91 1dy7A1 GLU 141 H -0.21 0.00 -0.30 -0.55 8.60 7.54 1dy7A1 GLU 141 HA -0.23 0.07 0.36 -0.75 4.29 3.74 1dy7A1 GLU 141 HB2 -0.88 0.05 0.00 -0.04 2.09 1.23 1dy7A1 GLU 141 HB3 -1.48 0.09 -0.05 -0.04 1.99 0.50 1dy7A1 GLU 141 HG2 -0.42 0.13 0.01 -0.04 2.34 2.01 1dy7A1 GLU 141 HG3 -0.27 0.05 -0.02 -0.04 2.34 2.06 1dy7A1 MET 142 H -0.16 0.50 -0.12 -0.55 8.47 8.14 1dy7A1 MET 142 HA 0.22 0.15 0.47 -0.75 4.52 4.62 1dy7A1 MET 142 HB2 -0.01 -0.04 0.10 -0.04 2.15 2.16 1dy7A1 MET 142 HB3 0.04 -0.01 0.01 -0.04 2.03 2.03 1dy7A1 MET 142 HG2 0.36 0.19 0.04 -0.04 2.63 3.18 1dy7A1 MET 142 HG3 0.12 0.11 -0.17 -0.04 2.56 2.58 1dy7A1 MET 142 HE3 0.08 0.05 -0.08 -0.04 2.10 2.11 1dy7A1 ARG 143 H 0.01 0.62 -0.07 -0.55 8.46 8.46 1dy7A1 ARG 143 HA 0.27 0.03 0.40 -0.75 4.34 4.28 1dy7A1 ARG 143 HB2 0.06 0.07 0.20 -0.04 1.90 2.18 1dy7A1 ARG 143 HB3 0.18 -0.03 0.09 -0.04 1.80 1.99 1dy7A1 ARG 143 HG2 0.05 -0.02 0.08 -0.04 1.67 1.74 1dy7A1 ARG 143 HG3 -0.02 0.06 0.12 -0.04 1.67 1.79 1dy7A1 ARG 143 HD2 0.02 -0.07 -0.04 -0.04 3.22 3.09 1dy7A1 ARG 143 HD3 0.10 -0.02 0.02 -0.04 3.22 3.28 1dy7A1 GLU 144 H 0.04 0.34 -0.31 -0.55 8.60 8.12 1dy7A1 GLU 144 HA 0.06 0.02 0.33 -0.75 4.29 3.94 1dy7A1 GLU 144 HB2 -0.01 0.08 0.17 -0.04 2.09 2.30 1dy7A1 GLU 144 HB3 0.03 -0.05 0.03 -0.04 1.99 1.96 1dy7A1 GLU 144 HG2 0.02 -0.03 0.03 -0.04 2.34 2.32 1dy7A1 GLU 144 HG3 0.01 0.06 0.06 -0.04 2.34 2.43 1dy7A1 SER 145 H 0.13 0.35 -0.28 -0.55 8.46 8.11 1dy7A1 SER 145 HA 0.12 0.06 0.53 -0.75 4.49 4.44 1dy7A1 SER 145 HB2 0.18 -0.10 0.09 -0.04 3.95 4.08 1dy7A1 SER 145 HB3 0.23 0.04 0.11 -0.04 3.93 4.26 1dy7A1 TRP 146 H 0.30 0.28 -0.34 -0.55 7.97 7.65 1dy7A1 TRP 146 HA -0.00 0.19 0.78 -0.75 4.62 4.83 1dy7A1 TRP 146 HB2 0.01 0.01 0.08 -0.04 3.23 3.29 1dy7A1 TRP 146 HB3 -0.00 0.12 0.24 -0.04 3.23 3.54 1dy7A1 TRP 146 HD1 -0.03 0.22 -0.01 -0.04 7.22 7.36 1dy7A1 TRP 146 HE1 -0.04 0.53 -0.06 -0.04 10.20 10.59 1dy7A1 TRP 146 HE3 -0.01 0.05 0.05 -0.04 7.59 7.65 1dy7A1 TRP 146 HZ2 -0.02 -0.09 -0.09 -0.04 7.44 7.19 1dy7A1 TRP 146 HZ3 -0.01 -0.02 0.00 -0.04 7.13 7.06 1dy7A1 TRP 146 HH2 -0.01 -0.05 -0.02 -0.04 7.19 7.07 1dy7A1 LYS 147 H -0.02 0.55 0.35 -0.55 8.42 8.74 1dy7A1 LYS 147 HA -0.45 0.15 0.88 -0.75 4.32 4.14 1dy7A1 LYS 147 HB2 -0.16 -0.02 0.06 -0.04 1.87 1.71 1dy7A1 LYS 147 HB3 -0.38 -0.05 -0.11 -0.04 1.79 1.21 1dy7A1 LYS 147 HG2 0.01 -0.08 -0.08 -0.04 1.46 1.28 1dy7A1 LYS 147 HG3 -0.12 0.08 -0.03 -0.04 1.46 1.35 1dy7A1 LYS 147 HD2 0.02 0.08 -0.80 -0.04 1.69 0.95 1dy7A1 LYS 147 HD3 0.05 -0.09 -0.15 -0.04 1.68 1.45 1dy7A1 LYS 147 HE2 0.00 -0.13 -0.07 -0.04 2.99 2.76 1dy7A1 LYS 147 HE3 -0.01 0.17 -0.17 -0.04 2.99 2.94 1dy7A1 VAL 148 H -0.53 0.20 0.07 -0.55 8.24 7.43 1dy7A1 VAL 148 HA -0.27 0.18 1.04 -0.75 4.13 4.34 1dy7A1 VAL 148 HB -0.32 -0.05 0.16 -0.04 2.12 1.87 1dy7A1 VAL 148 HG13 -0.07 -0.02 -0.17 -0.04 0.97 0.66 1dy7A1 VAL 148 HG23 -0.38 0.03 -0.02 -0.04 0.95 0.54 1dy7A1 HIS 149 H -0.28 0.37 -0.05 -0.55 8.41 7.91 1dy7A1 HIS 149 HA -0.05 0.05 0.56 -0.75 4.63 4.44 1dy7A1 HIS 149 HB2 -0.02 0.08 0.02 -0.04 3.26 3.30 1dy7A1 HIS 149 HB3 -0.02 -0.03 -0.00 -0.04 3.20 3.10 1dy7A1 HIS 149 HD2 -0.00 -0.02 -0.34 -0.04 6.97 6.57 1dy7A1 HIS 149 HE1 -0.02 0.01 -0.11 -0.04 7.75 7.59 1dy7A1 VAL 150 H 0.03 0.49 0.10 -0.55 8.24 8.31 1dy7A1 VAL 150 HA 0.02 0.16 0.87 -0.75 4.13 4.42 1dy7A1 VAL 150 HB 0.04 -0.06 0.12 -0.04 2.12 2.17 1dy7A1 VAL 150 HG13 0.02 0.03 -0.17 -0.04 0.97 0.82 1dy7A1 VAL 150 HG23 0.04 0.01 -0.11 -0.04 0.95 0.85 1dy7A1 ALA 151 H -0.01 0.13 -0.02 -0.55 8.40 7.96 1dy7A1 ALA 151 HA -0.02 0.14 0.46 -0.75 4.34 4.17 1dy7A1 ALA 151 HB3 -0.01 0.00 0.05 -0.04 1.41 1.41 1dy7A1 PRO 152 HA 0.03 0.12 0.33 -0.51 4.44 4.42 1dy7A1 PRO 152 HB2 0.02 -0.02 0.08 -0.04 2.28 2.32 1dy7A1 PRO 152 HB3 0.02 0.05 0.08 -0.04 2.02 2.12 1dy7A1 PRO 152 HG2 0.01 -0.02 0.02 -0.04 2.03 2.01 1dy7A1 PRO 152 HG3 -0.01 0.18 0.02 -0.04 2.03 2.17 1dy7A1 PRO 152 HD2 0.01 0.05 0.18 -0.04 3.68 3.88 1dy7A1 PRO 152 HD3 0.01 0.20 0.22 -0.04 3.65 4.03 1dy7A1 GLU 153 H 0.01 0.07 -0.21 -0.55 8.60 7.93 1dy7A1 GLU 153 HA 0.02 0.10 0.27 -0.75 4.29 3.93 1dy7A1 GLU 153 HB2 0.01 0.03 0.06 -0.04 2.09 2.15 1dy7A1 GLU 153 HB3 0.01 -0.03 0.06 -0.04 1.99 1.99 1dy7A1 GLU 153 HG2 0.01 0.05 -0.19 -0.04 2.34 2.17 1dy7A1 GLU 153 HG3 0.00 0.01 -0.07 -0.04 2.34 2.24 1dy7A1 ASP 154 H 0.02 0.38 -0.50 -0.55 8.40 7.76 1dy7A1 ASP 154 HA 0.02 0.13 0.76 -0.75 4.63 4.78 1dy7A1 ASP 154 HB2 0.01 0.04 0.01 -0.04 2.71 2.73 1dy7A1 ASP 154 HB3 0.01 -0.02 0.13 -0.04 2.70 2.77 1dy7A1 ARG 155 H 0.04 0.44 -0.21 -0.55 8.46 8.18 1dy7A1 ARG 155 HA 0.05 0.05 0.67 -0.75 4.34 4.35 1dy7A1 ARG 155 HB2 0.07 0.14 0.06 -0.04 1.90 2.14 1dy7A1 ARG 155 HB3 0.08 -0.08 0.05 -0.04 1.80 1.81 1dy7A1 ARG 155 HG2 0.06 -0.07 -0.10 -0.04 1.67 1.52 1dy7A1 ARG 155 HG3 0.04 0.19 -0.24 -0.04 1.67 1.62 1dy7A1 ARG 155 HD2 0.11 -0.03 -0.02 -0.04 3.22 3.25 1dy7A1 ARG 155 HD3 0.16 -0.12 -0.03 -0.04 3.22 3.19 1dy7A1 PRO 156 HA 0.06 0.06 0.40 -0.51 4.44 4.45 1dy7A1 PRO 156 HB2 0.18 0.11 -0.05 -0.04 2.28 2.48 1dy7A1 PRO 156 HB3 0.03 0.03 0.12 -0.04 2.02 2.17 1dy7A1 PRO 156 HG2 0.14 -0.08 -0.27 -0.04 2.03 1.78 1dy7A1 PRO 156 HG3 0.04 -0.02 0.03 -0.04 2.03 2.04 1dy7A1 PRO 156 HD2 0.09 0.04 0.12 -0.04 3.68 3.89 1dy7A1 PRO 156 HD3 0.05 0.17 0.19 -0.04 3.65 4.01 1dy7A1 THR 157 H 0.06 0.11 0.16 -0.55 8.28 8.06 1dy7A1 THR 157 HA 0.23 0.21 0.80 -0.75 4.39 4.88 1dy7A1 THR 157 HB 0.08 -0.03 0.14 -0.04 4.32 4.47 1dy7A1 THR 157 HG23 0.06 0.03 -0.07 -0.04 1.22 1.20 1dy7A1 GLN 158 H 0.02 0.22 0.01 -0.55 8.47 8.17 1dy7A1 GLN 158 HA -0.90 0.10 0.43 -0.75 4.36 3.24 1dy7A1 GLN 158 HB2 -0.40 -0.02 0.13 -0.04 2.15 1.82 1dy7A1 GLN 158 HB3 -0.19 0.08 -0.09 -0.04 2.02 1.78 1dy7A1 GLN 158 HG2 -0.13 -0.13 -0.12 -0.04 2.40 1.98 1dy7A1 GLN 158 HG3 -0.23 0.18 -0.38 -0.04 2.39 1.91 1dy7A1 GLN 158 HE21 -0.08 -0.01 -0.04 -0.04 6.97 6.80 1dy7A1 GLN 158 HE22 -0.08 -0.03 -0.06 -0.04 7.69 7.47 1dy7A1 GLN 159 H -1.18 0.11 0.11 -0.55 8.47 6.96 1dy7A1 GLN 159 HA -0.66 0.02 0.61 -0.75 4.36 3.58 1dy7A1 GLN 159 HB2 -1.11 -0.05 0.13 -0.04 2.15 1.07 1dy7A1 GLN 159 HB3 -0.51 0.01 0.18 -0.04 2.02 1.66 1dy7A1 GLN 159 HG2 -0.26 0.15 -0.07 -0.04 2.40 2.18 1dy7A1 GLN 159 HG3 -0.25 0.02 0.08 -0.04 2.39 2.19 1dy7A1 GLN 159 HE21 0.04 0.31 0.01 -0.04 6.97 7.28 1dy7A1 GLN 159 HE22 -0.09 -0.12 -0.15 -0.04 7.69 7.29 1dy7A1 GLU 160 H -0.17 0.74 0.36 -0.55 8.60 8.99 1dy7A1 GLU 160 HA -0.14 0.16 0.84 -0.75 4.29 4.39 1dy7A1 GLU 160 HB2 -0.08 0.05 0.17 -0.04 2.09 2.19 1dy7A1 GLU 160 HB3 -0.08 -0.08 0.17 -0.04 1.99 1.96 1dy7A1 GLU 160 HG2 -0.09 0.01 -0.08 -0.04 2.34 2.14 1dy7A1 GLU 160 HG3 -0.08 0.20 -0.08 -0.04 2.34 2.33 1dy7A1 ASN 161 H -0.24 0.07 -0.04 -0.55 8.53 7.77 1dy7A1 ASN 161 HA -0.17 0.19 0.85 -0.75 4.76 4.88 1dy7A1 ASN 161 HB2 -0.78 -0.12 0.18 -0.04 2.88 2.11 1dy7A1 ASN 161 HB3 -0.55 0.28 0.07 -0.04 2.79 2.56 1dy7A1 ASN 161 HD21 -0.46 0.39 0.11 -0.04 7.03 7.03 1dy7A1 ASN 161 HD22 -0.59 0.58 -0.16 -0.04 7.74 7.53 1dy7A1 ASP 162 H 0.07 0.16 0.09 -0.55 8.40 8.18 1dy7A1 ASP 162 HA 0.01 0.25 0.80 -0.75 4.63 4.94 1dy7A1 ASP 162 HB2 0.06 -0.00 0.14 -0.04 2.71 2.87 1dy7A1 ASP 162 HB3 0.04 0.04 -0.01 -0.04 2.70 2.72 1dy7A1 TRP 163 H 0.12 0.08 -0.29 -0.55 7.97 7.34 1dy7A1 TRP 163 HA 0.01 0.07 0.43 -0.75 4.62 4.37 1dy7A1 TRP 163 HB2 0.03 0.04 -0.10 -0.04 3.23 3.16 1dy7A1 TRP 163 HB3 0.03 -0.07 -0.06 -0.04 3.23 3.09 1dy7A1 TRP 163 HD1 0.01 -0.13 -0.12 -0.04 7.22 6.94 1dy7A1 TRP 163 HE1 0.02 0.06 0.04 -0.04 10.20 10.28 1dy7A1 TRP 163 HE3 0.05 -0.05 -0.09 -0.04 7.59 7.45 1dy7A1 TRP 163 HZ2 0.03 0.11 0.01 -0.04 7.44 7.55 1dy7A1 TRP 163 HZ3 0.05 -0.04 -0.09 -0.04 7.13 7.00 1dy7A1 TRP 163 HH2 0.04 0.03 -0.14 -0.04 7.19 7.08 1dy7A1 ASP 164 H 0.17 0.12 0.04 -0.55 8.40 8.19 1dy7A1 ASP 164 HA 0.10 0.21 0.73 -0.75 4.63 4.92 1dy7A1 ASP 164 HB2 0.06 0.13 0.09 -0.04 2.71 2.94 1dy7A1 ASP 164 HB3 0.06 -0.09 0.21 -0.04 2.70 2.84 1dy7A1 LEU 165 H 0.14 0.38 -0.03 -0.55 8.37 8.31 1dy7A1 LEU 165 HA 0.22 0.06 0.25 -0.75 4.35 4.13 1dy7A1 LEU 165 HB2 0.16 0.00 0.05 -0.04 1.64 1.81 1dy7A1 LEU 165 HB3 0.16 0.09 -0.01 -0.04 1.64 1.85 1dy7A1 LEU 165 HG 0.14 0.07 -0.07 -0.04 1.64 1.74 1dy7A1 LEU 165 HD13 0.23 0.03 -0.09 -0.04 0.93 1.06 1dy7A1 LEU 165 HD23 0.23 0.00 -0.07 -0.04 0.89 1.01 1dy7A1 GLU 166 H 0.10 0.13 -0.12 -0.55 8.60 8.16 1dy7A1 GLU 166 HA 0.12 0.14 0.41 -0.75 4.29 4.21 1dy7A1 GLU 166 HB2 0.08 -0.00 0.07 -0.04 2.09 2.19 1dy7A1 GLU 166 HB3 0.19 -0.01 0.10 -0.04 1.99 2.24 1dy7A1 GLU 166 HG2 0.20 0.07 -0.02 -0.04 2.34 2.54 1dy7A1 GLU 166 HG3 0.14 -0.03 0.01 -0.04 2.34 2.42 1dy7A1 ASN 167 H 0.07 0.22 -0.41 -0.55 8.53 7.86 1dy7A1 ASN 167 HA -0.01 0.08 0.88 -0.75 4.76 4.95 1dy7A1 ASN 167 HB2 0.03 0.01 0.04 -0.04 2.88 2.92 1dy7A1 ASN 167 HB3 0.06 0.01 0.11 -0.04 2.79 2.92 1dy7A1 ASN 167 HD21 0.11 0.13 -0.20 -0.04 7.03 7.03 1dy7A1 ASN 167 HD22 0.05 -0.02 -0.03 -0.04 7.74 7.70 1dy7A1 LEU 168 H 0.06 0.38 -0.24 -0.55 8.37 8.03 1dy7A1 LEU 168 HA 0.11 0.08 0.68 -0.75 4.35 4.47 1dy7A1 LEU 168 HB2 0.15 0.03 0.16 -0.04 1.64 1.94 1dy7A1 LEU 168 HB3 0.09 0.02 0.03 -0.04 1.64 1.74 1dy7A1 LEU 168 HG 0.11 0.04 -0.13 -0.04 1.64 1.62 1dy7A1 LEU 168 HD13 0.02 -0.01 -0.27 -0.04 0.93 0.63 1dy7A1 LEU 168 HD23 0.32 -0.00 -0.09 -0.04 0.89 1.08 1dy7A1 PHE 169 H 0.19 0.58 0.33 -0.55 8.34 8.89 1dy7A1 PHE 169 HA -0.17 0.24 0.89 -0.75 4.62 4.83 1dy7A1 PHE 169 HB2 -0.36 -0.01 0.05 -0.04 3.15 2.78 1dy7A1 PHE 169 HB3 -0.35 0.01 -0.21 -0.04 3.06 2.47 1dy7A1 PHE 169 HD2 -0.57 0.02 -0.20 -0.04 7.28 6.48 1dy7A1 PHE 169 HE2 -0.62 0.01 -0.14 -0.04 7.38 6.59 1dy7A1 PHE 169 HZ -0.69 -0.10 -0.42 -0.04 7.32 6.07 1dy7A1 SER 170 H 0.05 0.73 0.22 -0.55 8.46 8.91 1dy7A1 SER 170 HA 0.11 0.23 0.92 -0.75 4.49 5.00 1dy7A1 SER 170 HB2 0.10 -0.02 -0.04 -0.04 3.95 3.95 1dy7A1 SER 170 HB3 0.15 0.01 0.12 -0.04 3.93 4.17 1dy7A1 VAL 171 H 0.09 0.75 0.26 -0.55 8.24 8.79 1dy7A1 VAL 171 HA 0.04 0.34 1.06 -0.75 4.13 4.82 1dy7A1 VAL 171 HB 0.09 -0.07 0.07 -0.04 2.12 2.16 1dy7A1 VAL 171 HG13 0.04 0.04 -0.23 -0.04 0.97 0.78 1dy7A1 VAL 171 HG23 0.15 -0.01 -0.25 -0.04 0.95 0.80 1dy7A1 THR 172 H -0.00 0.71 0.21 -0.55 8.28 8.65 1dy7A1 THR 172 HA 0.01 0.07 0.65 -0.75 4.39 4.36 1dy7A1 THR 172 HB -0.11 -0.20 0.20 -0.04 4.32 4.16 1dy7A1 THR 172 HG23 -0.10 0.05 -0.15 -0.04 1.22 0.98 1dy7A1 LEU 173 H -0.01 0.64 0.19 -0.55 8.37 8.65 1dy7A1 LEU 173 HA -0.01 0.31 0.57 -0.75 4.35 4.47 1dy7A1 LEU 173 HB2 0.02 -0.09 0.01 -0.04 1.64 1.53 1dy7A1 LEU 173 HB3 0.03 0.04 0.09 -0.04 1.64 1.75 1dy7A1 LEU 173 HG 0.03 -0.04 -0.32 -0.04 1.64 1.27 1dy7A1 LEU 173 HD13 0.04 0.05 -0.19 -0.04 0.93 0.79 1dy7A1 LEU 173 HD23 0.03 -0.00 -0.30 -0.04 0.89 0.57 1dy7A1 ARG 174 H -0.08 0.74 0.07 -0.55 8.46 8.64 1dy7A1 ARG 174 HA -0.14 -0.03 0.20 -0.75 4.34 3.61 1dy7A1 ARG 174 HB2 -0.21 0.10 0.14 -0.04 1.90 1.89 1dy7A1 ARG 174 HB3 -0.03 -0.05 0.21 -0.04 1.80 1.89 1dy7A1 ARG 174 HG2 -0.18 -0.07 -0.19 -0.04 1.67 1.18 1dy7A1 ARG 174 HG3 -0.16 0.05 0.02 -0.04 1.67 1.54 1dy7A1 ARG 174 HD2 -0.16 0.05 0.00 -0.04 3.22 3.07 1dy7A1 ARG 174 HD3 0.18 -0.03 -0.01 -0.04 3.22 3.32 1dy7A1 ASP 175 H 0.03 0.20 0.01 -0.55 8.40 8.09 1dy7A1 ASP 175 HA -0.10 0.08 0.47 -0.75 4.63 4.32 1dy7A1 ASP 175 HB2 0.12 0.02 0.04 -0.04 2.71 2.85 1dy7A1 ASP 175 HB3 0.20 0.02 0.13 -0.04 2.70 3.02 1dy7A1 ALA 176 H 0.02 0.24 -0.48 -0.55 8.40 7.64 1dy7A1 ALA 176 HA 0.11 0.13 0.65 -0.75 4.34 4.47 1dy7A1 ALA 176 HB3 0.05 0.01 0.00 -0.04 1.41 1.44 1dy7A1 GLY 177 H -0.04 0.33 -0.12 -0.55 8.43 8.06 1dy7A1 GLY 177 HA2 0.01 -0.03 0.37 -0.51 4.01 3.85 1dy7A1 GLY 177 HA3 0.13 0.03 0.32 -0.51 4.01 3.98 1dy7A1 GLN 178 H 0.01 0.35 0.03 -0.55 8.47 8.31 1dy7A1 GLN 178 HA 0.04 0.20 0.81 -0.75 4.36 4.66 1dy7A1 GLN 178 HB2 0.04 -0.08 -0.12 -0.04 2.15 1.94 1dy7A1 GLN 178 HB3 0.04 0.02 0.01 -0.04 2.02 2.05 1dy7A1 GLN 178 HG2 0.05 -0.01 -0.17 -0.04 2.40 2.22 1dy7A1 GLN 178 HG3 0.05 0.23 -0.62 -0.04 2.39 2.01 1dy7A1 GLN 178 HE21 0.04 -0.05 -0.09 -0.04 6.97 6.83 1dy7A1 GLN 178 HE22 0.05 -0.01 -0.15 -0.04 7.69 7.53 1dy7A1 ILE 179 H 0.05 0.53 0.27 -0.55 8.25 8.55 1dy7A1 ILE 179 HA 0.04 0.17 0.79 -0.75 4.18 4.42 1dy7A1 ILE 179 HB 0.07 0.03 -0.10 -0.04 1.89 1.85 1dy7A1 ILE 179 HG12 0.06 0.05 -0.13 -0.04 1.49 1.42 1dy7A1 ILE 179 HG13 0.07 -0.07 -0.30 -0.04 1.21 0.86 1dy7A1 ILE 179 HG23 0.04 -0.02 -0.27 -0.04 0.93 0.64 1dy7A1 ILE 179 HD13 0.07 -0.01 -0.25 -0.04 0.88 0.65 1dy7A1 ALA 180 H 0.06 0.68 0.27 -0.55 8.40 8.86 1dy7A1 ALA 180 HA 0.06 0.27 1.09 -0.75 4.34 5.00 1dy7A1 ALA 180 HB3 0.06 -0.01 -0.04 -0.04 1.41 1.38 1dy7A1 LEU 181 H 0.06 0.68 0.24 -0.55 8.37 8.81 1dy7A1 LEU 181 HA 0.09 0.29 0.92 -0.75 4.35 4.90 1dy7A1 LEU 181 HB2 0.08 -0.06 0.14 -0.04 1.64 1.76 1dy7A1 LEU 181 HB3 0.15 -0.01 -0.01 -0.04 1.64 1.72 1dy7A1 LEU 181 HG 0.14 0.01 -0.23 -0.04 1.64 1.52 1dy7A1 LEU 181 HD13 0.33 0.01 -0.16 -0.04 0.93 1.06 1dy7A1 LEU 181 HD23 0.13 0.02 -0.20 -0.04 0.89 0.80 1dy7A1 ILE 182 H 0.11 0.69 0.27 -0.55 8.25 8.77 1dy7A1 ILE 182 HA 0.01 0.18 1.02 -0.75 4.18 4.64 1dy7A1 ILE 182 HB 0.27 -0.02 -0.03 -0.04 1.89 2.07 1dy7A1 ILE 182 HG12 0.09 -0.02 -0.34 -0.04 1.49 1.18 1dy7A1 ILE 182 HG13 0.13 0.04 -0.44 -0.04 1.21 0.90 1dy7A1 ILE 182 HG23 0.27 0.04 -0.40 -0.04 0.93 0.79 1dy7A1 ILE 182 HD13 0.18 0.01 -0.19 -0.04 0.88 0.85 1dy7A1 ASP 183 H -0.05 0.71 0.21 -0.55 8.40 8.73 1dy7A1 ASP 183 HA 0.01 0.03 0.55 -0.75 4.63 4.46 1dy7A1 ASP 183 HB2 -0.17 0.15 0.16 -0.04 2.71 2.81 1dy7A1 ASP 183 HB3 -0.09 -0.19 0.21 -0.04 2.70 2.60 1dy7A1 GLY 184 H 0.13 0.24 0.17 -0.55 8.43 8.43 1dy7A1 GLY 184 HA2 0.39 0.09 0.32 -0.51 4.01 4.30 1dy7A1 GLY 184 HA3 0.32 0.20 0.45 -0.51 4.01 4.46 1dy7A1 ALA 185 H -0.05 -0.08 -0.25 -0.55 8.40 7.48 1dy7A1 ALA 185 HA -0.17 0.25 0.90 -0.75 4.34 4.57 1dy7A1 ALA 185 HB3 -0.08 -0.00 0.02 -0.04 1.41 1.31 1dy7A1 THR 186 H -0.24 -0.09 -0.03 -0.55 8.28 7.37 1dy7A1 THR 186 HA -0.40 0.30 0.79 -0.75 4.39 4.33 1dy7A1 THR 186 HB -0.14 0.09 0.10 -0.04 4.32 4.34 1dy7A1 THR 186 HG23 -0.11 0.00 -0.02 -0.04 1.22 1.05 1dy7A1 TYR 187 H -0.34 0.25 -0.15 -0.55 8.29 7.50 1dy7A1 TYR 187 HA -0.00 0.16 0.14 -0.75 4.56 4.10 1dy7A1 TYR 187 HB2 -0.39 0.13 0.08 -0.04 3.06 2.84 1dy7A1 TYR 187 HB3 -0.26 -0.05 0.01 -0.04 2.98 2.63 1dy7A1 TYR 187 HD2 -0.64 0.05 -0.23 -0.04 7.15 6.28 1dy7A1 TYR 187 HE2 -0.17 0.01 -0.13 -0.04 6.85 6.52 1dy7A1 GLU 188 H -0.08 -0.11 -0.37 -0.55 8.60 7.48 1dy7A1 GLU 188 HA -0.01 0.14 0.39 -0.75 4.29 4.05 1dy7A1 GLU 188 HB2 -0.12 -0.17 0.04 -0.04 2.09 1.80 1dy7A1 GLU 188 HB3 -0.10 0.13 -0.16 -0.04 1.99 1.82 1dy7A1 GLU 188 HG2 -0.04 0.08 -0.03 -0.04 2.34 2.30 1dy7A1 GLU 188 HG3 -0.07 0.05 -0.12 -0.04 2.34 2.16 1dy7A1 ILE 189 H -0.01 0.19 0.14 -0.55 8.25 8.01 1dy7A1 ILE 189 HA -0.02 0.08 0.65 -0.75 4.18 4.14 1dy7A1 ILE 189 HB -0.00 -0.01 0.12 -0.04 1.89 1.96 1dy7A1 ILE 189 HG12 0.05 0.01 -0.12 -0.04 1.49 1.38 1dy7A1 ILE 189 HG13 0.03 0.06 -0.03 -0.04 1.21 1.23 1dy7A1 ILE 189 HG23 0.01 -0.01 -0.21 -0.04 0.93 0.68 1dy7A1 ILE 189 HD13 0.03 -0.00 -0.12 -0.04 0.88 0.75 1dy7A1 LYS 190 H -0.21 0.55 0.39 -0.55 8.42 8.61 1dy7A1 LYS 190 HA -0.31 0.06 0.53 -0.75 4.32 3.85 1dy7A1 LYS 190 HB2 -0.89 0.05 0.04 -0.04 1.87 1.03 1dy7A1 LYS 190 HB3 -1.80 -0.00 0.03 -0.04 1.79 -0.02 1dy7A1 LYS 190 HG2 -0.44 0.01 0.02 -0.04 1.46 1.01 1dy7A1 LYS 190 HG3 -1.08 -0.08 -0.07 -0.04 1.46 0.19 1dy7A1 LYS 190 HD2 -0.41 0.06 -0.16 -0.04 1.69 1.14 1dy7A1 LYS 190 HD3 -0.40 -0.12 -0.03 -0.04 1.68 1.09 1dy7A1 LYS 190 HE2 -1.36 -0.09 -0.02 -0.04 2.99 1.48 1dy7A1 LYS 190 HE3 -1.24 0.08 0.01 -0.04 2.99 1.81 1dy7A1 SER 191 H -0.06 0.30 0.12 -0.55 8.46 8.27 1dy7A1 SER 191 HA 0.07 0.13 0.52 -0.75 4.49 4.46 1dy7A1 SER 191 HB2 0.37 0.13 -0.29 -0.04 3.95 4.11 1dy7A1 SER 191 HB3 0.24 -0.12 -0.14 -0.04 3.93 3.87 1dy7A1 VAL 192 H 0.07 0.28 0.12 -0.55 8.24 8.16 1dy7A1 VAL 192 HA 0.06 0.26 0.99 -0.75 4.13 4.69 1dy7A1 VAL 192 HB 0.05 -0.03 0.12 -0.04 2.12 2.22 1dy7A1 VAL 192 HG13 0.05 0.02 -0.12 -0.04 0.97 0.87 1dy7A1 VAL 192 HG23 0.04 -0.03 -0.15 -0.04 0.95 0.77 1dy7A1 LEU 193 H 0.07 0.57 0.24 -0.55 8.37 8.70 1dy7A1 LEU 193 HA 0.06 0.18 1.00 -0.75 4.35 4.83 1dy7A1 LEU 193 HB2 0.07 -0.06 -0.06 -0.04 1.64 1.55 1dy7A1 LEU 193 HB3 0.06 0.08 -0.10 -0.04 1.64 1.64 1dy7A1 LEU 193 HG 0.11 -0.09 -0.36 -0.04 1.64 1.25 1dy7A1 LEU 193 HD13 0.09 -0.01 -0.28 -0.04 0.93 0.68 1dy7A1 LEU 193 HD23 0.08 0.09 -0.01 -0.04 0.89 1.01 1dy7A1 ASP 194 H 0.04 0.11 0.16 -0.55 8.40 8.17 1dy7A1 ASP 194 HA 0.05 0.23 0.68 -0.75 4.63 4.83 1dy7A1 ASP 194 HB2 0.04 -0.08 0.16 -0.04 2.71 2.78 1dy7A1 ASP 194 HB3 0.05 0.10 0.07 -0.04 2.70 2.88 1dy7A1 THR 195 H 0.06 0.83 0.29 -0.55 8.28 8.91 1dy7A1 THR 195 HA 0.06 0.11 0.69 -0.75 4.39 4.49 1dy7A1 THR 195 HB 0.04 -0.20 -0.03 -0.04 4.32 4.10 1dy7A1 THR 195 HG23 0.05 0.01 -0.41 -0.04 1.22 0.82 1dy7A1 GLY 196 H 0.06 0.06 -0.05 -0.55 8.43 7.96 1dy7A1 GLY 196 HA2 0.09 0.13 0.47 -0.51 4.01 4.19 1dy7A1 GLY 196 HA3 0.07 -0.02 0.27 -0.51 4.01 3.82 1dy7A1 TYR 197 H 0.20 0.09 0.14 -0.55 8.29 8.16 1dy7A1 TYR 197 HA 0.04 0.10 0.54 -0.75 4.56 4.49 1dy7A1 TYR 197 HB2 0.04 0.06 0.13 -0.04 3.06 3.25 1dy7A1 TYR 197 HB3 0.04 -0.08 0.13 -0.04 2.98 3.03 1dy7A1 TYR 197 HD2 0.05 -0.01 -0.06 -0.04 7.15 7.09 1dy7A1 TYR 197 HE2 0.06 0.13 0.04 -0.04 6.85 7.04 1dy7A1 ALA 198 H -0.58 0.35 0.32 -0.55 8.40 7.95 1dy7A1 ALA 198 HA -0.30 0.08 0.44 -0.75 4.34 3.81 1dy7A1 ALA 198 HB3 -0.35 0.00 -0.02 -0.04 1.41 1.00 1dy7A1 VAL 199 H -0.07 0.13 -0.14 -0.55 8.24 7.60 1dy7A1 VAL 199 HA 0.02 0.08 0.26 -0.75 4.13 3.73 1dy7A1 VAL 199 HB -0.02 -0.04 -0.05 -0.04 2.12 1.97 1dy7A1 VAL 199 HG13 0.02 -0.02 -0.33 -0.04 0.97 0.60 1dy7A1 VAL 199 HG23 0.02 0.03 -0.26 -0.04 0.95 0.69 1dy7A1 HIS 200 H 0.09 0.62 0.41 -0.55 8.41 8.98 1dy7A1 HIS 200 HA -0.01 0.11 0.82 -0.75 4.63 4.79 1dy7A1 HIS 200 HB2 -0.03 0.03 0.16 -0.04 3.26 3.38 1dy7A1 HIS 200 HB3 -0.03 0.12 0.15 -0.04 3.20 3.40 1dy7A1 HIS 200 HD2 0.05 0.02 0.02 -0.04 6.97 7.02 1dy7A1 HIS 200 HE1 0.09 -0.04 0.05 -0.04 7.75 7.81 1dy7A1 ILE 201 H 0.03 0.21 0.22 -0.55 8.25 8.16 1dy7A1 ILE 201 HA 0.04 0.15 0.66 -0.75 4.18 4.28 1dy7A1 ILE 201 HB -0.67 0.04 0.19 -0.04 1.89 1.41 1dy7A1 ILE 201 HG12 -0.04 0.08 0.03 -0.04 1.49 1.52 1dy7A1 ILE 201 HG13 -0.13 -0.10 -0.22 -0.04 1.21 0.73 1dy7A1 ILE 201 HG23 0.07 0.00 -0.02 -0.04 0.93 0.94 1dy7A1 ILE 201 HD13 -0.19 0.03 -0.03 -0.04 0.88 0.64 1dy7A1 SER 202 H -0.67 0.18 0.12 -0.55 8.46 7.54 1dy7A1 SER 202 HA -0.08 0.28 0.98 -0.75 4.49 4.92 1dy7A1 SER 202 HB2 0.04 -0.02 0.03 -0.04 3.95 3.95 1dy7A1 SER 202 HB3 0.01 0.02 -0.07 -0.04 3.93 3.85 1dy7A1 ARG 203 H -0.01 0.75 0.31 -0.55 8.46 8.96 1dy7A1 ARG 203 HA -0.13 0.16 0.74 -0.75 4.34 4.36 1dy7A1 ARG 203 HB2 -0.05 -0.05 -0.12 -0.04 1.90 1.63 1dy7A1 ARG 203 HB3 -0.06 -0.01 0.03 -0.04 1.80 1.72 1dy7A1 ARG 203 HG2 -0.22 -0.09 -0.48 -0.04 1.67 0.85 1dy7A1 ARG 203 HG3 -0.13 0.36 -0.03 -0.04 1.67 1.83 1dy7A1 ARG 203 HD2 -0.07 -0.04 0.15 -0.04 3.22 3.22 1dy7A1 ARG 203 HD3 -0.18 0.03 0.23 -0.04 3.22 3.26 1dy7A1 LEU 204 H 0.02 0.23 0.08 -0.55 8.37 8.15 1dy7A1 LEU 204 HA 0.14 0.26 1.11 -0.75 4.35 5.11 1dy7A1 LEU 204 HB2 0.02 -0.03 0.02 -0.04 1.64 1.62 1dy7A1 LEU 204 HB3 0.04 0.10 -0.01 -0.04 1.64 1.72 1dy7A1 LEU 204 HG 0.03 0.02 0.03 -0.04 1.64 1.68 1dy7A1 LEU 204 HD13 0.05 0.01 -0.17 -0.04 0.93 0.78 1dy7A1 LEU 204 HD23 0.04 0.00 -0.35 -0.04 0.89 0.54 1dy7A1 SER 205 H 0.20 0.59 0.27 -0.55 8.46 8.98 1dy7A1 SER 205 HA 0.09 0.11 0.55 -0.75 4.49 4.49 1dy7A1 SER 205 HB2 0.15 -0.05 0.22 -0.04 3.95 4.23 1dy7A1 SER 205 HB3 0.41 0.18 0.18 -0.04 3.93 4.66 1dy7A1 ALA 206 H 0.01 0.10 0.25 -0.55 8.40 8.21 1dy7A1 ALA 206 HA -0.04 0.30 0.36 -0.75 4.34 4.20 1dy7A1 ALA 206 HB3 -0.04 0.02 0.16 -0.04 1.41 1.51 1dy7A1 SER 207 H -0.01 -0.06 -0.24 -0.55 8.46 7.60 1dy7A1 SER 207 HA -0.01 0.22 0.60 -0.75 4.49 4.56 1dy7A1 SER 207 HB2 -0.04 0.08 0.05 -0.04 3.95 4.00 1dy7A1 SER 207 HB3 -0.05 0.02 0.01 -0.04 3.93 3.87 1dy7A1 GLY 208 H -0.01 0.39 -0.38 -0.55 8.43 7.87 1dy7A1 GLY 208 HA2 0.01 0.11 0.21 -0.51 4.01 3.83 1dy7A1 GLY 208 HA3 0.04 0.11 0.47 -0.51 4.01 4.12 1dy7A1 ARG 209 H -0.21 -0.04 -0.31 -0.55 8.46 7.35 1dy7A1 ARG 209 HA -0.39 0.14 0.45 -0.75 4.34 3.79 1dy7A1 ARG 209 HB2 -1.10 0.07 -0.07 -0.04 1.90 0.76 1dy7A1 ARG 209 HB3 -0.86 -0.05 0.01 -0.04 1.80 0.86 1dy7A1 ARG 209 HG2 -1.70 -0.01 -0.31 -0.04 1.67 -0.39 1dy7A1 ARG 209 HG3 -1.82 -0.08 -0.03 -0.04 1.67 -0.30 1dy7A1 ARG 209 HD2 -2.73 0.04 -0.12 -0.04 3.22 0.36 1dy7A1 ARG 209 HD3 -1.35 0.04 -0.09 -0.04 3.22 1.78 1dy7A1 TYR 210 H -0.10 -0.04 0.02 -0.55 8.29 7.61 1dy7A1 TYR 210 HA -0.21 0.35 1.15 -0.75 4.56 5.09 1dy7A1 TYR 210 HB2 0.01 -0.13 0.13 -0.04 3.06 3.02 1dy7A1 TYR 210 HB3 -0.46 0.10 -0.06 -0.04 2.98 2.52 1dy7A1 TYR 210 HD2 -0.17 0.01 -0.08 -0.04 7.15 6.88 1dy7A1 TYR 210 HE2 -0.16 0.00 -0.05 -0.04 6.85 6.60 1dy7A1 LEU 211 H -0.08 0.61 0.34 -0.55 8.37 8.69 1dy7A1 LEU 211 HA 0.05 0.21 0.89 -0.75 4.35 4.74 1dy7A1 LEU 211 HB2 0.03 0.00 -0.05 -0.04 1.64 1.58 1dy7A1 LEU 211 HB3 -0.02 -0.03 0.12 -0.04 1.64 1.68 1dy7A1 LEU 211 HG 0.01 -0.00 -0.36 -0.04 1.64 1.25 1dy7A1 LEU 211 HD13 0.05 0.03 -0.10 -0.04 0.93 0.88 1dy7A1 LEU 211 HD23 0.07 -0.02 -0.18 -0.04 0.89 0.73 1dy7A1 PHE 212 H 0.20 0.81 0.36 -0.55 8.34 9.15 1dy7A1 PHE 212 HA 0.00 0.32 1.10 -0.75 4.62 5.29 1dy7A1 PHE 212 HB2 -0.04 -0.04 -0.00 -0.04 3.15 3.02 1dy7A1 PHE 212 HB3 -0.04 0.03 -0.11 -0.04 3.06 2.90 1dy7A1 PHE 212 HD2 -0.02 0.07 -0.24 -0.04 7.28 7.05 1dy7A1 PHE 212 HE2 -0.03 -0.05 -0.17 -0.04 7.38 7.08 1dy7A1 PHE 212 HZ -0.14 0.22 -0.09 -0.04 7.32 7.27 1dy7A1 VAL 213 H 0.08 0.64 0.35 -0.55 8.24 8.76 1dy7A1 VAL 213 HA 0.03 0.33 1.05 -0.75 4.13 4.78 1dy7A1 VAL 213 HB 0.03 0.00 0.00 -0.04 2.12 2.11 1dy7A1 VAL 213 HG13 0.04 -0.01 -0.23 -0.04 0.97 0.72 1dy7A1 VAL 213 HG23 0.04 -0.01 -0.08 -0.04 0.95 0.86 1dy7A1 ILE 214 H 0.01 0.38 0.20 -0.55 8.25 8.30 1dy7A1 ILE 214 HA 0.03 0.30 0.76 -0.75 4.18 4.52 1dy7A1 ILE 214 HB -0.00 0.00 -0.21 -0.04 1.89 1.63 1dy7A1 ILE 214 HG12 -0.03 0.15 -0.40 -0.04 1.49 1.17 1dy7A1 ILE 214 HG13 -0.01 0.01 -0.36 -0.04 1.21 0.81 1dy7A1 ILE 214 HG23 -0.02 -0.01 -0.29 -0.04 0.93 0.57 1dy7A1 ILE 214 HD13 -0.05 -0.01 -0.21 -0.04 0.88 0.57 1dy7A1 GLY 215 H 0.03 0.68 0.16 -0.55 8.43 8.75 1dy7A1 GLY 215 HA2 0.03 0.14 0.39 -0.51 4.01 4.06 1dy7A1 GLY 215 HA3 0.05 -0.06 0.15 -0.51 4.01 3.64 1dy7A1 ARG 216 H 0.06 0.52 0.17 -0.55 8.46 8.66 1dy7A1 ARG 216 HA -0.04 0.45 0.53 -0.75 4.34 4.52 1dy7A1 ARG 216 HB2 0.03 -0.05 0.20 -0.04 1.90 2.04 1dy7A1 ARG 216 HB3 0.09 0.11 0.22 -0.04 1.80 2.18 1dy7A1 ARG 216 HG2 0.14 0.09 0.10 -0.04 1.67 1.96 1dy7A1 ARG 216 HG3 0.15 -0.02 -0.06 -0.04 1.67 1.69 1dy7A1 ARG 216 HD2 0.12 0.07 0.06 -0.04 3.22 3.42 1dy7A1 ARG 216 HD3 0.25 -0.06 -0.02 -0.04 3.22 3.35 1dy7A1 ASP 217 H 0.08 0.05 -0.32 -0.55 8.40 7.66 1dy7A1 ASP 217 HA 0.04 0.27 0.44 -0.75 4.63 4.62 1dy7A1 ASP 217 HB2 0.04 0.07 0.11 -0.04 2.71 2.89 1dy7A1 ASP 217 HB3 0.09 0.01 0.09 -0.04 2.70 2.85 1dy7A1 GLY 218 H -0.01 0.57 -0.42 -0.55 8.43 8.02 1dy7A1 GLY 218 HA2 -0.06 0.03 0.06 -0.51 4.01 3.52 1dy7A1 GLY 218 HA3 -0.11 0.26 0.45 -0.51 4.01 4.10 1dy7A1 LYS 219 H 0.01 -0.02 -0.15 -0.55 8.42 7.70 1dy7A1 LYS 219 HA 0.03 0.25 0.83 -0.75 4.32 4.67 1dy7A1 LYS 219 HB2 0.05 0.06 -0.01 -0.04 1.87 1.92 1dy7A1 LYS 219 HB3 0.05 -0.20 0.09 -0.04 1.79 1.70 1dy7A1 LYS 219 HG2 0.07 -0.01 -0.40 -0.04 1.46 1.07 1dy7A1 LYS 219 HG3 0.07 0.11 -0.09 -0.04 1.46 1.51 1dy7A1 LYS 219 HD2 0.07 0.02 -0.09 -0.04 1.69 1.65 1dy7A1 LYS 219 HD3 0.07 -0.11 -0.18 -0.04 1.68 1.43 1dy7A1 LYS 219 HE2 0.09 -0.02 -0.19 -0.04 2.99 2.83 1dy7A1 LYS 219 HE3 0.09 0.07 -0.12 -0.04 2.99 2.99 1dy7A1 VAL 220 H 0.05 0.88 0.45 -0.55 8.24 9.07 1dy7A1 VAL 220 HA 0.05 0.27 1.03 -0.75 4.13 4.73 1dy7A1 VAL 220 HB 0.06 0.03 0.11 -0.04 2.12 2.28 1dy7A1 VAL 220 HG13 0.13 -0.01 -0.24 -0.04 0.97 0.81 1dy7A1 VAL 220 HG23 0.01 0.00 -0.17 -0.04 0.95 0.75 1dy7A1 ASN 221 H 0.06 0.46 0.32 -0.55 8.53 8.83 1dy7A1 ASN 221 HA 0.06 0.28 1.12 -0.75 4.76 5.47 1dy7A1 ASN 221 HB2 0.04 -0.09 0.07 -0.04 2.88 2.86 1dy7A1 ASN 221 HB3 0.04 0.02 -0.05 -0.04 2.79 2.75 1dy7A1 ASN 221 HD21 0.07 0.02 -0.24 -0.04 7.03 6.84 1dy7A1 ASN 221 HD22 0.06 -0.12 -0.52 -0.04 7.74 7.12 1dy7A1 MET 222 H -0.02 0.68 0.33 -0.55 8.47 8.92 1dy7A1 MET 222 HA -0.41 0.30 0.97 -0.75 4.52 4.62 1dy7A1 MET 222 HB2 -0.18 0.00 -0.13 -0.04 2.15 1.79 1dy7A1 MET 222 HB3 -0.11 0.01 0.12 -0.04 2.03 2.00 1dy7A1 MET 222 HG2 -0.35 -0.06 -0.31 -0.04 2.63 1.86 1dy7A1 MET 222 HG3 -1.05 -0.01 -0.13 -0.04 2.56 1.33 1dy7A1 MET 222 HE3 -0.93 -0.05 -0.05 -0.04 2.10 1.03 1dy7A1 ILE 223 H -0.22 0.74 0.33 -0.55 8.25 8.55 1dy7A1 ILE 223 HA -0.01 0.27 0.95 -0.75 4.18 4.63 1dy7A1 ILE 223 HB -0.03 -0.01 0.06 -0.04 1.89 1.88 1dy7A1 ILE 223 HG12 0.03 -0.03 -0.44 -0.04 1.49 1.00 1dy7A1 ILE 223 HG13 -0.01 -0.07 -0.59 -0.04 1.21 0.50 1dy7A1 ILE 223 HG23 0.03 -0.01 -0.34 -0.04 0.93 0.58 1dy7A1 ILE 223 HD13 0.03 0.01 -0.26 -0.04 0.88 0.62 1dy7A1 ASP 224 H 0.03 0.41 0.25 -0.55 8.40 8.54 1dy7A1 ASP 224 HA -0.04 0.17 0.91 -0.75 4.63 4.91 1dy7A1 ASP 224 HB2 0.19 0.08 0.07 -0.04 2.71 3.01 1dy7A1 ASP 224 HB3 0.04 0.02 0.24 -0.04 2.70 2.96 1dy7A1 LEU 225 H -0.16 0.71 0.32 -0.55 8.37 8.69 1dy7A1 LEU 225 HA -0.05 0.06 0.36 -0.75 4.35 3.97 1dy7A1 LEU 225 HB2 -0.01 0.15 0.17 -0.04 1.64 1.91 1dy7A1 LEU 225 HB3 0.09 -0.08 0.11 -0.04 1.64 1.71 1dy7A1 LEU 225 HG -0.01 0.04 -0.02 -0.04 1.64 1.61 1dy7A1 LEU 225 HD13 0.07 0.03 -0.10 -0.04 0.93 0.88 1dy7A1 LEU 225 HD23 0.13 -0.02 -0.13 -0.04 0.89 0.82 1dy7A1 TRP 226 H 0.03 0.06 -0.39 -0.55 7.97 7.12 1dy7A1 TRP 226 HA -0.18 0.06 0.62 -0.75 4.62 4.37 1dy7A1 TRP 226 HB2 -0.16 0.03 -0.07 -0.04 3.23 2.99 1dy7A1 TRP 226 HB3 -0.12 0.11 -0.13 -0.04 3.23 3.05 1dy7A1 TRP 226 HD1 -0.14 0.03 -0.36 -0.04 7.22 6.71 1dy7A1 TRP 226 HE1 -0.09 0.03 -0.13 -0.04 10.20 9.98 1dy7A1 TRP 226 HE3 -0.09 0.12 -0.46 -0.04 7.59 7.11 1dy7A1 TRP 226 HZ2 -0.06 0.03 -0.07 -0.04 7.44 7.29 1dy7A1 TRP 226 HZ3 -0.06 0.16 -0.42 -0.04 7.13 6.78 1dy7A1 TRP 226 HH2 -0.05 0.04 -0.08 -0.04 7.19 7.06 1dy7A1 MET 227 H -0.01 0.30 -0.24 -0.55 8.47 7.97 1dy7A1 MET 227 HA -0.02 0.06 0.44 -0.75 4.52 4.25 1dy7A1 MET 227 HB2 -0.06 0.05 -0.21 -0.04 2.15 1.89 1dy7A1 MET 227 HB3 -0.04 -0.05 -0.21 -0.04 2.03 1.69 1dy7A1 MET 227 HG2 0.02 0.03 0.04 -0.04 2.63 2.68 1dy7A1 MET 227 HG3 0.03 -0.09 0.04 -0.04 2.56 2.49 1dy7A1 MET 227 HE3 0.01 0.04 -0.03 -0.04 2.10 2.07 1dy7A1 LYS 228 H -0.07 0.13 0.10 -0.55 8.42 8.03 1dy7A1 LYS 228 HA -0.17 0.09 0.07 -0.75 4.32 3.56 1dy7A1 LYS 228 HB2 -0.04 -0.05 0.11 -0.04 1.87 1.84 1dy7A1 LYS 228 HB3 -0.05 0.01 0.05 -0.04 1.79 1.76 1dy7A1 LYS 228 HG2 -0.07 0.30 0.09 -0.04 1.46 1.74 1dy7A1 LYS 228 HG3 -0.05 -0.07 0.12 -0.04 1.46 1.42 1dy7A1 LYS 228 HD2 -0.02 -0.02 0.05 -0.04 1.69 1.65 1dy7A1 LYS 228 HD3 -0.03 -0.01 0.05 -0.04 1.68 1.66 1dy7A1 LYS 228 HE2 -0.04 0.06 0.08 -0.04 2.99 3.05 1dy7A1 LYS 228 HE3 -0.03 -0.02 0.05 -0.04 2.99 2.95 1dy7A1 GLU 229 H -0.06 0.05 -0.28 -0.55 8.60 7.77 1dy7A1 GLU 229 HA -0.04 0.21 0.77 -0.75 4.29 4.48 1dy7A1 GLU 229 HB2 0.00 -0.06 0.11 -0.04 2.09 2.10 1dy7A1 GLU 229 HB3 0.04 0.06 0.02 -0.04 1.99 2.08 1dy7A1 GLU 229 HG2 0.06 0.09 -0.04 -0.04 2.34 2.42 1dy7A1 GLU 229 HG3 0.01 -0.11 -0.27 -0.04 2.34 1.93 1dy7A1 PRO 230 HA -0.05 0.05 0.43 -0.51 4.44 4.36 1dy7A1 PRO 230 HB2 0.07 -0.06 -0.10 -0.04 2.28 2.15 1dy7A1 PRO 230 HB3 -0.04 -0.01 -0.13 -0.04 2.02 1.80 1dy7A1 PRO 230 HG2 -0.83 -0.07 -0.02 -0.04 2.03 1.08 1dy7A1 PRO 230 HG3 -0.40 0.16 -0.06 -0.04 2.03 1.69 1dy7A1 PRO 230 HD2 -0.22 0.03 0.06 -0.04 3.68 3.51 1dy7A1 PRO 230 HD3 -0.53 0.38 -0.31 -0.04 3.65 3.15 1dy7A1 THR 231 H 0.01 0.21 0.26 -0.55 8.28 8.21 1dy7A1 THR 231 HA 0.05 0.09 0.55 -0.75 4.39 4.33 1dy7A1 THR 231 HB 0.03 0.16 -0.25 -0.04 4.32 4.22 1dy7A1 THR 231 HG23 0.02 0.03 -0.21 -0.04 1.22 1.01 1dy7A1 THR 232 H 0.04 0.16 0.13 -0.55 8.28 8.06 1dy7A1 THR 232 HA 0.04 0.16 0.58 -0.75 4.39 4.42 1dy7A1 THR 232 HB 0.08 -0.01 0.15 -0.04 4.32 4.51 1dy7A1 THR 232 HG23 0.19 0.01 -0.14 -0.04 1.22 1.24 1dy7A1 VAL 233 H 0.02 0.69 0.56 -0.55 8.24 8.95 1dy7A1 VAL 233 HA 0.09 0.14 0.91 -0.75 4.13 4.52 1dy7A1 VAL 233 HB 0.02 0.12 0.18 -0.04 2.12 2.40 1dy7A1 VAL 233 HG13 0.05 0.00 0.01 -0.04 0.97 0.99 1dy7A1 VAL 233 HG23 -0.03 0.01 -0.09 -0.04 0.95 0.80 1dy7A1 ALA 234 H 0.01 0.33 0.29 -0.55 8.40 8.48 1dy7A1 ALA 234 HA -0.19 0.18 0.77 -0.75 4.34 4.35 1dy7A1 ALA 234 HB3 0.05 0.04 -0.03 -0.04 1.41 1.42 1dy7A1 GLU 235 H -0.06 0.66 0.41 -0.55 8.60 9.07 1dy7A1 GLU 235 HA 0.09 0.21 0.77 -0.75 4.29 4.60 1dy7A1 GLU 235 HB2 0.10 0.03 0.15 -0.04 2.09 2.32 1dy7A1 GLU 235 HB3 0.10 -0.08 0.07 -0.04 1.99 2.04 1dy7A1 GLU 235 HG2 -0.08 -0.03 0.05 -0.04 2.34 2.24 1dy7A1 GLU 235 HG3 0.06 0.11 -0.07 -0.04 2.34 2.40 1dy7A1 ILE 236 H 0.11 0.53 0.36 -0.55 8.25 8.70 1dy7A1 ILE 236 HA 0.20 0.23 0.36 -0.75 4.18 4.22 1dy7A1 ILE 236 HB 0.23 0.09 -0.22 -0.04 1.89 1.95 1dy7A1 ILE 236 HG12 0.09 0.10 -0.10 -0.04 1.49 1.55 1dy7A1 ILE 236 HG13 0.20 0.10 0.03 -0.04 1.21 1.50 1dy7A1 ILE 236 HG23 0.04 -0.02 -0.26 -0.04 0.93 0.65 1dy7A1 ILE 236 HD13 -0.22 -0.04 -0.10 -0.04 0.88 0.49 1dy7A1 LYS 237 H 0.17 0.26 0.10 -0.55 8.42 8.39 1dy7A1 LYS 237 HA 0.02 0.23 0.91 -0.75 4.32 4.73 1dy7A1 LYS 237 HB2 0.10 -0.03 -0.01 -0.04 1.87 1.89 1dy7A1 LYS 237 HB3 0.27 0.00 0.08 -0.04 1.79 2.10 1dy7A1 LYS 237 HG2 -0.49 -0.03 -0.06 -0.04 1.46 0.83 1dy7A1 LYS 237 HG3 -0.11 -0.02 -0.15 -0.04 1.46 1.14 1dy7A1 LYS 237 HD2 0.06 -0.07 -0.04 -0.04 1.69 1.60 1dy7A1 LYS 237 HD3 0.24 -0.05 -0.05 -0.04 1.68 1.78 1dy7A1 LYS 237 HE2 0.05 -0.10 -0.01 -0.04 2.99 2.89 1dy7A1 LYS 237 HE3 -0.42 0.01 -0.05 -0.04 2.99 2.49 1dy7A1 ILE 238 H -0.10 0.55 0.20 -0.55 8.25 8.35 1dy7A1 ILE 238 HA 0.08 0.18 0.90 -0.75 4.18 4.59 1dy7A1 ILE 238 HB -0.03 -0.03 -0.02 -0.04 1.89 1.77 1dy7A1 ILE 238 HG12 -0.05 -0.05 -0.16 -0.04 1.49 1.19 1dy7A1 ILE 238 HG13 -0.07 0.20 -0.01 -0.04 1.21 1.29 1dy7A1 ILE 238 HG23 -0.01 -0.01 -0.31 -0.04 0.93 0.56 1dy7A1 ILE 238 HD13 -0.07 0.00 -0.45 -0.04 0.88 0.32 1dy7A1 GLY 239 H -0.47 0.27 0.11 -0.55 8.43 7.78 1dy7A1 GLY 239 HA2 -0.49 0.03 0.23 -0.51 4.01 3.27 1dy7A1 GLY 239 HA3 -0.19 0.12 0.45 -0.51 4.01 3.88 1dy7A1 SER 240 H 0.00 0.55 0.42 -0.55 8.46 8.89 1dy7A1 SER 240 HA -0.08 0.25 0.96 -0.75 4.49 4.87 1dy7A1 SER 240 HB2 0.10 -0.04 0.09 -0.04 3.95 4.06 1dy7A1 SER 240 HB3 0.12 -0.02 0.02 -0.04 3.93 4.00 1dy7A1 GLU 241 H 0.06 0.36 0.20 -0.55 8.60 8.68 1dy7A1 GLU 241 HA 0.02 0.40 0.81 -0.75 4.29 4.76 1dy7A1 GLU 241 HB2 0.16 0.05 -0.14 -0.04 2.09 2.12 1dy7A1 GLU 241 HB3 0.25 -0.23 0.15 -0.04 1.99 2.13 1dy7A1 GLU 241 HG2 0.29 -0.06 -0.02 -0.04 2.34 2.51 1dy7A1 GLU 241 HG3 0.02 0.02 -0.01 -0.04 2.34 2.33 1dy7A1 ALA 242 H -0.11 0.77 0.29 -0.55 8.40 8.81 1dy7A1 ALA 242 HA -0.20 -0.08 0.82 -0.75 4.34 4.14 1dy7A1 ALA 242 HB3 -0.09 0.05 -0.08 -0.04 1.41 1.26 1dy7A1 ARG 243 H -0.25 0.19 0.23 -0.55 8.46 8.08 1dy7A1 ARG 243 HA -0.26 0.20 0.87 -0.75 4.34 4.39 1dy7A1 ARG 243 HB2 -0.32 0.08 -0.03 -0.04 1.90 1.59 1dy7A1 ARG 243 HB3 -0.39 -0.02 0.06 -0.04 1.80 1.41 1dy7A1 ARG 243 HG2 -1.06 -0.10 -0.37 -0.04 1.67 0.10 1dy7A1 ARG 243 HG3 -0.62 -0.01 -0.06 -0.04 1.67 0.94 1dy7A1 ARG 243 HD2 -1.42 -0.03 0.05 -0.04 3.22 1.78 1dy7A1 ARG 243 HD3 -0.57 0.18 0.10 -0.04 3.22 2.89 1dy7A1 SER 244 H -0.11 0.21 0.23 -0.55 8.46 8.24 1dy7A1 SER 244 HA -0.06 0.21 1.09 -0.75 4.49 4.97 1dy7A1 SER 244 HB2 -0.09 -0.04 0.00 -0.04 3.95 3.79 1dy7A1 SER 244 HB3 -0.06 0.03 -0.17 -0.04 3.93 3.69 1dy7A1 ILE 245 H -0.10 0.35 0.23 -0.55 8.25 8.18 1dy7A1 ILE 245 HA -0.17 0.34 0.81 -0.75 4.18 4.40 1dy7A1 ILE 245 HB -0.07 0.01 -0.24 -0.04 1.89 1.55 1dy7A1 ILE 245 HG12 -0.19 -0.05 -0.17 -0.04 1.49 1.03 1dy7A1 ILE 245 HG13 -0.20 0.22 0.04 -0.04 1.21 1.23 1dy7A1 ILE 245 HG23 -0.06 -0.02 -0.28 -0.04 0.93 0.53 1dy7A1 ILE 245 HD13 0.01 -0.02 -0.23 -0.04 0.88 0.60 1dy7A1 GLU 246 H -0.30 0.53 0.33 -0.55 8.60 8.61 1dy7A1 GLU 246 HA -0.14 0.10 0.45 -0.75 4.29 3.95 1dy7A1 GLU 246 HB2 -0.13 0.23 -0.19 -0.04 2.09 1.96 1dy7A1 GLU 246 HB3 -0.24 -0.07 -0.20 -0.04 1.99 1.44 1dy7A1 GLU 246 HG2 0.00 -0.14 -0.32 -0.04 2.34 1.85 1dy7A1 GLU 246 HG3 0.08 0.15 -0.11 -0.04 2.34 2.41 1dy7A1 THR 247 H -0.05 0.24 0.12 -0.55 8.28 8.04 1dy7A1 THR 247 HA -0.14 0.22 1.02 -0.75 4.39 4.74 1dy7A1 THR 247 HB -0.07 -0.13 0.16 -0.04 4.32 4.25 1dy7A1 THR 247 HG23 -0.32 -0.03 -0.38 -0.04 1.22 0.45 1dy7A1 SER 248 H 0.02 0.42 0.26 -0.55 8.46 8.62 1dy7A1 SER 248 HA -0.18 0.06 0.53 -0.75 4.49 4.14 1dy7A1 SER 248 HB2 -0.27 0.01 0.03 -0.04 3.95 3.67 1dy7A1 SER 248 HB3 -0.71 0.02 0.07 -0.04 3.93 3.26 1dy7A1 LYS 249 H -0.04 0.15 0.18 -0.55 8.42 8.15 1dy7A1 LYS 249 HA -0.08 0.12 0.88 -0.75 4.32 4.48 1dy7A1 LYS 249 HB2 -0.15 0.04 -0.05 -0.04 1.87 1.67 1dy7A1 LYS 249 HB3 -0.45 0.03 0.12 -0.04 1.79 1.44 1dy7A1 LYS 249 HG2 -0.10 0.03 -0.04 -0.04 1.46 1.30 1dy7A1 LYS 249 HG3 -0.03 0.00 -0.48 -0.04 1.46 0.91 1dy7A1 LYS 249 HD2 0.04 -0.10 0.05 -0.04 1.69 1.64 1dy7A1 LYS 249 HD3 -0.03 0.04 -0.00 -0.04 1.68 1.65 1dy7A1 LYS 249 HE2 -0.02 0.20 0.06 -0.04 2.99 3.19 1dy7A1 LYS 249 HE3 0.00 -0.12 0.02 -0.04 2.99 2.85 1dy7A1 MET 250 H 0.07 -0.05 -0.03 -0.55 8.47 7.91 1dy7A1 MET 250 HA -0.04 0.17 0.54 -0.75 4.52 4.44 1dy7A1 MET 250 HB2 -0.08 0.15 -0.22 -0.04 2.15 1.95 1dy7A1 MET 250 HB3 0.10 -0.12 -0.08 -0.04 2.03 1.89 1dy7A1 MET 250 HG2 -0.01 -0.08 -0.31 -0.04 2.63 2.19 1dy7A1 MET 250 HG3 0.20 0.26 -0.37 -0.04 2.56 2.61 1dy7A1 MET 250 HE3 0.00 0.02 -0.10 -0.04 2.10 1.98 1dy7A1 GLU 251 H -0.00 0.24 0.12 -0.55 8.60 8.41 1dy7A1 GLU 251 HA 0.01 -0.02 0.37 -0.75 4.29 3.89 1dy7A1 GLU 251 HB2 -0.02 0.08 0.16 -0.04 2.09 2.27 1dy7A1 GLU 251 HB3 0.01 0.02 0.12 -0.04 1.99 2.10 1dy7A1 GLU 251 HG2 -0.01 0.00 -0.17 -0.04 2.34 2.12 1dy7A1 GLU 251 HG3 -0.02 -0.04 0.06 -0.04 2.34 2.30 1dy7A1 GLY 252 H -0.01 0.09 0.18 -0.55 8.43 8.14 1dy7A1 GLY 252 HA2 -0.13 0.01 0.36 -0.51 4.01 3.73 1dy7A1 GLY 252 HA3 -0.14 0.19 0.63 -0.51 4.01 4.19 1dy7A1 TRP 253 H 0.21 0.62 -0.22 -0.55 7.97 8.03 1dy7A1 TRP 253 HA -0.03 0.21 0.75 -0.75 4.62 4.80 1dy7A1 TRP 253 HB2 0.08 0.08 -0.04 -0.04 3.23 3.30 1dy7A1 TRP 253 HB3 0.06 -0.12 0.09 -0.04 3.23 3.21 1dy7A1 TRP 253 HD1 0.01 0.18 -0.35 -0.04 7.22 7.02 1dy7A1 TRP 253 HE1 -0.01 0.02 -0.09 -0.04 10.20 10.08 1dy7A1 TRP 253 HE3 0.09 -0.09 -0.04 -0.04 7.59 7.51 1dy7A1 TRP 253 HZ2 0.02 -0.00 -0.01 -0.04 7.44 7.40 1dy7A1 TRP 253 HZ3 0.22 0.02 -0.02 -0.04 7.13 7.31 1dy7A1 TRP 253 HH2 0.09 0.08 0.06 -0.04 7.19 7.37 1dy7A1 GLU 254 H -0.00 0.03 -0.21 -0.55 8.60 7.87 1dy7A1 GLU 254 HA 0.01 0.09 0.39 -0.75 4.29 4.02 1dy7A1 GLU 254 HB2 -0.03 0.05 0.03 -0.04 2.09 2.09 1dy7A1 GLU 254 HB3 -0.02 -0.08 -0.03 -0.04 1.99 1.81 1dy7A1 GLU 254 HG2 -0.02 0.09 -0.09 -0.04 2.34 2.28 1dy7A1 GLU 254 HG3 -0.01 0.10 -0.06 -0.04 2.34 2.32 1dy7A1 ASP 255 H 0.01 0.06 0.30 -0.55 8.40 8.23 1dy7A1 ASP 255 HA 0.04 -0.03 0.41 -0.75 4.63 4.30 1dy7A1 ASP 255 HB2 -0.01 0.26 -0.26 -0.04 2.71 2.66 1dy7A1 ASP 255 HB3 0.04 0.05 0.12 -0.04 2.70 2.87 1dy7A1 LYS 256 H -0.04 0.46 -0.27 -0.55 8.42 8.01 1dy7A1 LYS 256 HA -0.23 0.07 0.49 -0.75 4.32 3.90 1dy7A1 LYS 256 HB2 0.04 0.05 0.09 -0.04 1.87 2.01 1dy7A1 LYS 256 HB3 -0.39 -0.02 -0.04 -0.04 1.79 1.30 1dy7A1 LYS 256 HG2 -0.06 0.09 -0.31 -0.04 1.46 1.14 1dy7A1 LYS 256 HG3 0.02 -0.00 -0.00 -0.04 1.46 1.44 1dy7A1 LYS 256 HD2 -0.19 -0.04 -0.00 -0.04 1.69 1.42 1dy7A1 LYS 256 HD3 -0.16 -0.02 -0.08 -0.04 1.68 1.38 1dy7A1 LYS 256 HE2 -0.27 0.09 -0.02 -0.04 2.99 2.74 1dy7A1 LYS 256 HE3 -0.35 -0.01 0.00 -0.04 2.99 2.59 1dy7A1 TYR 257 H -0.09 0.11 0.12 -0.55 8.29 7.88 1dy7A1 TYR 257 HA -0.06 0.21 0.96 -0.75 4.56 4.91 1dy7A1 TYR 257 HB2 -0.31 -0.11 -0.03 -0.04 3.06 2.58 1dy7A1 TYR 257 HB3 0.02 0.13 -0.00 -0.04 2.98 3.08 1dy7A1 TYR 257 HD2 -0.29 0.06 -0.10 -0.04 7.15 6.78 1dy7A1 TYR 257 HE2 0.14 0.05 -0.07 -0.04 6.85 6.93 1dy7A1 ALA 258 H 0.02 0.67 0.22 -0.55 8.40 8.77 1dy7A1 ALA 258 HA -0.31 0.22 0.83 -0.75 4.34 4.34 1dy7A1 ALA 258 HB3 -0.59 0.00 -0.05 -0.04 1.41 0.73 1dy7A1 ILE 259 H -0.47 0.61 0.29 -0.55 8.25 8.13 1dy7A1 ILE 259 HA -0.29 0.33 0.90 -0.75 4.18 4.37 1dy7A1 ILE 259 HB -1.08 -0.03 -0.13 -0.04 1.89 0.60 1dy7A1 ILE 259 HG12 -0.32 0.02 -0.34 -0.04 1.49 0.80 1dy7A1 ILE 259 HG13 -0.18 0.08 -0.19 -0.04 1.21 0.88 1dy7A1 ILE 259 HG23 -1.17 -0.00 -0.17 -0.04 0.93 -0.46 1dy7A1 ILE 259 HD13 -0.49 -0.02 -0.21 -0.04 0.88 0.12 1dy7A1 ALA 260 H -0.14 0.58 0.32 -0.55 8.40 8.62 1dy7A1 ALA 260 HA -0.15 0.27 1.05 -0.75 4.34 4.77 1dy7A1 ALA 260 HB3 -0.08 -0.00 -0.02 -0.04 1.41 1.26 1dy7A1 GLY 261 H -0.09 0.59 0.29 -0.55 8.43 8.69 1dy7A1 GLY 261 HA2 0.02 0.19 1.10 -0.51 4.01 4.81 1dy7A1 GLY 261 HA3 -0.03 0.03 0.30 -0.51 4.01 3.80 1dy7A1 ALA 262 H 0.01 0.65 0.46 -0.55 8.40 8.98 1dy7A1 ALA 262 HA -0.02 0.05 1.21 -0.75 4.34 4.82 1dy7A1 ALA 262 HB3 -0.04 0.05 0.03 -0.04 1.41 1.41 1dy7A1 TYR 263 H 0.15 0.42 0.26 -0.55 8.29 8.56 1dy7A1 TYR 263 HA 0.06 -0.05 0.73 -0.75 4.56 4.54 1dy7A1 TYR 263 HB2 0.09 0.00 -0.00 -0.04 3.06 3.11 1dy7A1 TYR 263 HB3 0.14 -0.01 -0.04 -0.04 2.98 3.03 1dy7A1 TYR 263 HD2 0.05 0.03 -0.10 -0.04 7.15 7.09 1dy7A1 TYR 263 HE2 0.05 0.07 -0.05 -0.04 6.85 6.88 1dy7A1 TRP 264 H 0.24 0.37 0.29 -0.55 7.97 8.33 1dy7A1 TRP 264 HA 0.06 0.10 0.53 -0.75 4.62 4.56 1dy7A1 TRP 264 HB2 0.07 0.02 -0.21 -0.04 3.23 3.07 1dy7A1 TRP 264 HB3 0.05 -0.06 -0.13 -0.04 3.23 3.05 1dy7A1 TRP 264 HD1 0.05 -0.08 -0.24 -0.04 7.22 6.90 1dy7A1 TRP 264 HE1 0.06 0.55 -0.11 -0.04 10.20 10.66 1dy7A1 TRP 264 HE3 0.05 0.06 0.01 -0.04 7.59 7.66 1dy7A1 TRP 264 HZ2 0.05 0.09 -0.12 -0.04 7.44 7.42 1dy7A1 TRP 264 HZ3 0.04 0.02 0.05 -0.04 7.13 7.20 1dy7A1 TRP 264 HH2 0.05 0.01 0.03 -0.04 7.19 7.24 1dy7A1 PRO 265 HA -2.52 0.15 0.31 -0.51 4.44 1.87 1dy7A1 PRO 265 HB2 -0.40 0.04 -0.15 -0.04 2.28 1.73 1dy7A1 PRO 265 HB3 -0.73 0.04 0.07 -0.04 2.02 1.36 1dy7A1 PRO 265 HG2 -0.06 -0.07 0.08 -0.04 2.03 1.95 1dy7A1 PRO 265 HG3 -0.16 0.18 0.12 -0.04 2.03 2.13 1dy7A1 PRO 265 HD2 -0.16 0.17 -0.04 -0.04 3.68 3.61 1dy7A1 PRO 265 HD3 -0.04 0.03 0.58 -0.04 3.65 4.18 1dy7A1 PRO 266 HA -0.11 0.22 0.48 -0.51 4.44 4.52 1dy7A1 PRO 266 HB2 -0.14 -0.20 0.16 -0.04 2.28 2.05 1dy7A1 PRO 266 HB3 -0.07 0.19 -0.13 -0.04 2.02 1.97 1dy7A1 PRO 266 HG2 -0.18 0.14 0.11 -0.04 2.03 2.06 1dy7A1 PRO 266 HG3 -0.14 0.09 0.03 -0.04 2.03 1.97 1dy7A1 PRO 266 HD2 -0.65 0.05 0.16 -0.04 3.68 3.20 1dy7A1 PRO 266 HD3 -2.06 0.10 0.20 -0.04 3.65 1.85 1dy7A1 GLN 267 H -0.08 0.44 0.34 -0.55 8.47 8.63 1dy7A1 GLN 267 HA -0.12 0.13 0.69 -0.75 4.36 4.29 1dy7A1 GLN 267 HB2 -0.17 0.03 -0.05 -0.04 2.15 1.91 1dy7A1 GLN 267 HB3 -0.17 -0.03 -0.30 -0.04 2.02 1.48 1dy7A1 GLN 267 HG2 -0.15 0.14 -0.29 -0.04 2.40 2.06 1dy7A1 GLN 267 HG3 -0.09 0.02 -0.30 -0.04 2.39 1.98 1dy7A1 GLN 267 HE21 0.08 0.42 0.09 -0.04 6.97 7.52 1dy7A1 GLN 267 HE22 -0.02 0.32 0.03 -0.04 7.69 7.98 1dy7A1 TYR 268 H -0.36 0.56 0.36 -0.55 8.29 8.30 1dy7A1 TYR 268 HA -0.10 0.26 1.06 -0.75 4.56 5.03 1dy7A1 TYR 268 HB2 -0.13 0.05 0.04 -0.04 3.06 2.98 1dy7A1 TYR 268 HB3 -0.09 -0.03 -0.02 -0.04 2.98 2.80 1dy7A1 TYR 268 HD2 -0.09 -0.00 -0.28 -0.04 7.15 6.74 1dy7A1 TYR 268 HE2 -0.06 0.01 -0.19 -0.04 6.85 6.58 1dy7A1 VAL 269 H 0.03 0.61 0.35 -0.55 8.24 8.67 1dy7A1 VAL 269 HA -0.09 0.31 1.16 -0.75 4.13 4.75 1dy7A1 VAL 269 HB -0.08 0.02 -0.14 -0.04 2.12 1.88 1dy7A1 VAL 269 HG13 -0.06 0.01 -0.07 -0.04 0.97 0.81 1dy7A1 VAL 269 HG23 -0.09 -0.00 -0.27 -0.04 0.95 0.55 1dy7A1 ILE 270 H -0.06 0.68 0.35 -0.55 8.25 8.68 1dy7A1 ILE 270 HA -0.12 0.22 0.99 -0.75 4.18 4.52 1dy7A1 ILE 270 HB -0.09 -0.04 0.19 -0.04 1.89 1.92 1dy7A1 ILE 270 HG12 -0.01 0.02 -0.07 -0.04 1.49 1.39 1dy7A1 ILE 270 HG13 0.11 -0.04 -0.15 -0.04 1.21 1.08 1dy7A1 ILE 270 HG23 -0.27 -0.00 -0.10 -0.04 0.93 0.52 1dy7A1 ILE 270 HD13 0.09 -0.00 -0.13 -0.04 0.88 0.79 1dy7A1 MET 271 H -0.07 0.86 0.35 -0.55 8.47 9.07 1dy7A1 MET 271 HA -0.08 0.19 0.95 -0.75 4.52 4.83 1dy7A1 MET 271 HB2 -0.07 -0.08 -0.17 -0.04 2.15 1.79 1dy7A1 MET 271 HB3 -0.09 0.00 -0.32 -0.04 2.03 1.58 1dy7A1 MET 271 HG2 -0.15 0.08 -0.34 -0.04 2.63 2.19 1dy7A1 MET 271 HG3 -0.10 -0.09 -0.58 -0.04 2.56 1.74 1dy7A1 MET 271 HE3 -0.11 -0.01 -0.31 -0.04 2.10 1.63 1dy7A1 ASP 272 H -0.06 0.63 0.09 -0.55 8.40 8.52 1dy7A1 ASP 272 HA 0.06 0.19 0.54 -0.75 4.63 4.67 1dy7A1 ASP 272 HB2 -0.01 0.16 0.14 -0.04 2.71 2.96 1dy7A1 ASP 272 HB3 -0.02 -0.29 0.16 -0.04 2.70 2.51 1dy7A1 GLY 273 H -0.13 0.73 0.19 -0.55 8.43 8.68 1dy7A1 GLY 273 HA2 0.01 0.01 0.02 -0.51 4.01 3.54 1dy7A1 GLY 273 HA3 -0.06 0.14 -0.18 -0.51 4.01 3.40 1dy7A1 GLU 274 H -0.06 -0.03 -0.27 -0.55 8.60 7.69 1dy7A1 GLU 274 HA -0.36 0.22 0.89 -0.75 4.29 4.28 1dy7A1 GLU 274 HB2 -0.05 -0.06 0.04 -0.04 2.09 1.99 1dy7A1 GLU 274 HB3 -0.07 0.01 0.01 -0.04 1.99 1.90 1dy7A1 GLU 274 HG2 -0.06 0.03 -0.04 -0.04 2.34 2.23 1dy7A1 GLU 274 HG3 -0.07 0.06 -0.09 -0.04 2.34 2.21 1dy7A1 THR 275 H 0.01 -0.04 -0.11 -0.55 8.28 7.58 1dy7A1 THR 275 HA 0.07 0.35 1.02 -0.75 4.39 5.08 1dy7A1 THR 275 HB 0.41 0.08 0.05 -0.04 4.32 4.82 1dy7A1 THR 275 HG23 0.09 0.01 -0.11 -0.04 1.22 1.17 1dy7A1 LEU 276 H 0.05 0.40 -0.02 -0.55 8.37 8.26 1dy7A1 LEU 276 HA 0.01 0.10 0.12 -0.75 4.35 3.83 1dy7A1 LEU 276 HB2 0.26 0.26 -0.12 -0.04 1.64 2.00 1dy7A1 LEU 276 HB3 0.03 -0.02 -0.04 -0.04 1.64 1.57 1dy7A1 LEU 276 HG 0.13 -0.03 -0.42 -0.04 1.64 1.27 1dy7A1 LEU 276 HD13 0.12 -0.02 -0.47 -0.04 0.93 0.51 1dy7A1 LEU 276 HD23 0.23 0.01 -0.24 -0.04 0.89 0.84 1dy7A1 GLU 277 H -0.09 -0.09 -0.41 -0.55 8.60 7.46 1dy7A1 GLU 277 HA -2.07 0.18 0.29 -0.75 4.29 1.93 1dy7A1 GLU 277 HB2 -0.25 0.01 0.02 -0.04 2.09 1.82 1dy7A1 GLU 277 HB3 -0.23 -0.15 0.03 -0.04 1.99 1.61 1dy7A1 GLU 277 HG2 -0.45 0.15 -0.31 -0.04 2.34 1.69 1dy7A1 GLU 277 HG3 -1.13 0.05 -0.01 -0.04 2.34 1.22 1dy7A1 PRO 278 HA -0.21 0.06 0.50 -0.51 4.44 4.28 1dy7A1 PRO 278 HB2 -0.15 -0.05 -0.04 -0.04 2.28 2.00 1dy7A1 PRO 278 HB3 -0.19 0.08 -0.00 -0.04 2.02 1.87 1dy7A1 PRO 278 HG2 -0.26 -0.02 0.12 -0.04 2.03 1.83 1dy7A1 PRO 278 HG3 -0.23 0.03 -0.04 -0.04 2.03 1.75 1dy7A1 PRO 278 HD2 -1.16 0.04 0.17 -0.04 3.68 2.69 1dy7A1 PRO 278 HD3 -1.01 0.27 0.14 -0.04 3.65 3.01 1dy7A1 LYS 279 H -0.12 0.61 0.43 -0.55 8.42 8.79 1dy7A1 LYS 279 HA -0.09 0.15 0.87 -0.75 4.32 4.50 1dy7A1 LYS 279 HB2 -0.05 0.09 0.01 -0.04 1.87 1.88 1dy7A1 LYS 279 HB3 -0.02 -0.06 -0.04 -0.04 1.79 1.63 1dy7A1 LYS 279 HG2 -0.06 0.16 -0.11 -0.04 1.46 1.42 1dy7A1 LYS 279 HG3 0.12 -0.05 -0.11 -0.04 1.46 1.37 1dy7A1 LYS 279 HD2 -0.07 0.10 -0.22 -0.04 1.69 1.46 1dy7A1 LYS 279 HD3 -0.02 -0.07 -0.12 -0.04 1.68 1.43 1dy7A1 LYS 279 HE2 0.08 -0.02 -0.04 -0.04 2.99 2.96 1dy7A1 LYS 279 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 1dy7A1 LYS 280 H -0.09 0.34 0.20 -0.55 8.42 8.31 1dy7A1 LYS 280 HA -0.08 0.14 0.77 -0.75 4.32 4.40 1dy7A1 LYS 280 HB2 -0.07 0.03 -0.20 -0.04 1.87 1.59 1dy7A1 LYS 280 HB3 -0.07 -0.11 0.11 -0.04 1.79 1.68 1dy7A1 LYS 280 HG2 -0.05 -0.02 -0.05 -0.04 1.46 1.30 1dy7A1 LYS 280 HG3 -0.10 0.01 -0.22 -0.04 1.46 1.11 1dy7A1 LYS 280 HD2 -0.07 -0.06 0.14 -0.04 1.69 1.67 1dy7A1 LYS 280 HD3 -0.05 0.05 0.10 -0.04 1.68 1.74 1dy7A1 LYS 280 HE2 -0.04 -0.01 0.04 -0.04 2.99 2.94 1dy7A1 LYS 280 HE3 -0.06 -0.06 0.03 -0.04 2.99 2.85 1dy7A1 ILE 281 H -0.11 0.20 0.14 -0.55 8.25 7.93 1dy7A1 ILE 281 HA -0.18 0.28 1.11 -0.75 4.18 4.63 1dy7A1 ILE 281 HB -0.11 -0.07 0.12 -0.04 1.89 1.79 1dy7A1 ILE 281 HG12 -0.08 0.10 -0.10 -0.04 1.49 1.36 1dy7A1 ILE 281 HG13 -0.09 -0.08 -0.19 -0.04 1.21 0.80 1dy7A1 ILE 281 HG23 -0.13 0.02 -0.15 -0.04 0.93 0.63 1dy7A1 ILE 281 HD13 -0.06 0.00 -0.09 -0.04 0.88 0.69 1dy7A1 GLN 282 H -0.51 0.73 0.32 -0.55 8.47 8.46 1dy7A1 GLN 282 HA -0.26 0.15 1.04 -0.75 4.36 4.54 1dy7A1 GLN 282 HB2 -1.71 -0.06 0.06 -0.04 2.15 0.40 1dy7A1 GLN 282 HB3 -0.42 0.12 -0.07 -0.04 2.02 1.62 1dy7A1 GLN 282 HG2 -0.34 -0.08 -0.41 -0.04 2.40 1.53 1dy7A1 GLN 282 HG3 -0.22 -0.02 -0.15 -0.04 2.39 1.95 1dy7A1 GLN 282 HE21 -0.06 -0.00 -0.02 -0.04 6.97 6.84 1dy7A1 GLN 282 HE22 -0.06 0.02 -0.06 -0.04 7.69 7.55 1dy7A1 SER 283 H -0.16 0.12 0.16 -0.55 8.46 8.03 1dy7A1 SER 283 HA -0.15 0.23 0.78 -0.75 4.49 4.59 1dy7A1 SER 283 HB2 -0.09 -0.02 0.14 -0.04 3.95 3.93 1dy7A1 SER 283 HB3 -0.07 0.00 0.16 -0.04 3.93 3.98 1dy7A1 THR 284 H -0.09 0.60 0.16 -0.55 8.28 8.41 1dy7A1 THR 284 HA -0.00 0.19 0.78 -0.75 4.39 4.60 1dy7A1 THR 284 HB 0.00 -0.10 0.02 -0.04 4.32 4.20 1dy7A1 THR 284 HG23 0.10 -0.00 -0.25 -0.04 1.22 1.03 1dy7A1 ARG 285 H -0.04 0.01 0.02 -0.55 8.46 7.89 1dy7A1 ARG 285 HA -0.05 0.09 0.54 -0.75 4.34 4.16 1dy7A1 ARG 285 HB2 0.07 -0.06 0.08 -0.04 1.90 1.95 1dy7A1 ARG 285 HB3 0.17 0.01 0.02 -0.04 1.80 1.96 1dy7A1 ARG 285 HG2 0.02 0.09 0.04 -0.04 1.67 1.79 1dy7A1 ARG 285 HG3 -0.06 -0.04 0.09 -0.04 1.67 1.62 1dy7A1 ARG 285 HD2 -0.05 -0.04 0.09 -0.04 3.22 3.18 1dy7A1 ARG 285 HD3 0.10 -0.04 0.05 -0.04 3.22 3.28 1dy7A1 GLY 286 H -0.16 0.39 0.31 -0.55 8.43 8.43 1dy7A1 GLY 286 HA2 0.20 0.01 0.27 -0.51 4.01 3.98 1dy7A1 GLY 286 HA3 0.05 0.14 0.39 -0.51 4.01 4.08 1dy7A1 MET 287 H 0.06 0.18 0.06 -0.55 8.47 8.22 1dy7A1 MET 287 HA 0.05 0.20 0.52 -0.75 4.52 4.53 1dy7A1 MET 287 HB2 0.04 0.04 -0.07 -0.04 2.15 2.12 1dy7A1 MET 287 HB3 0.04 0.00 -0.21 -0.04 2.03 1.82 1dy7A1 MET 287 HG2 0.09 -0.04 -0.03 -0.04 2.63 2.60 1dy7A1 MET 287 HG3 0.05 0.07 -0.11 -0.04 2.56 2.53 1dy7A1 MET 287 HE3 0.07 0.00 -0.25 -0.04 2.10 1.88 1dy7A1 THR 288 H 0.01 0.49 0.26 -0.55 8.28 8.49 1dy7A1 THR 288 HA -0.01 0.09 0.57 -0.75 4.39 4.28 1dy7A1 THR 288 HB -0.07 -0.05 0.16 -0.04 4.32 4.31 1dy7A1 THR 288 HG23 0.02 0.09 0.07 -0.04 1.22 1.36 1dy7A1 TYR 289 H 0.17 0.52 0.24 -0.55 8.29 8.67 1dy7A1 TYR 289 HA -0.03 0.13 0.36 -0.75 4.56 4.28 1dy7A1 TYR 289 HB2 -0.04 -0.05 0.07 -0.04 3.06 3.00 1dy7A1 TYR 289 HB3 -0.06 0.21 0.09 -0.04 2.98 3.19 1dy7A1 TYR 289 HD2 -0.06 0.06 -0.15 -0.04 7.15 6.96 1dy7A1 TYR 289 HE2 -0.06 -0.11 -0.05 -0.04 6.85 6.59 1dy7A1 ASP 290 H -0.76 -0.05 -0.16 -0.55 8.40 6.89 1dy7A1 ASP 290 HA -0.47 0.26 0.70 -0.75 4.63 4.36 1dy7A1 ASP 290 HB2 -0.36 0.06 -0.02 -0.04 2.71 2.35 1dy7A1 ASP 290 HB3 -1.23 0.06 0.02 -0.04 2.70 1.51 1dy7A1 GLU 291 H -0.22 -0.00 0.01 -0.55 8.60 7.84 1dy7A1 GLU 291 HA -0.09 0.18 0.42 -0.75 4.29 4.05 1dy7A1 GLU 291 HB2 -0.06 -0.08 0.01 -0.04 2.09 1.92 1dy7A1 GLU 291 HB3 -0.04 0.06 0.01 -0.04 1.99 1.97 1dy7A1 GLU 291 HG2 -0.07 0.06 -0.04 -0.04 2.34 2.25 1dy7A1 GLU 291 HG3 -0.09 -0.06 0.02 -0.04 2.34 2.16 1dy7A1 GLN 292 H -0.10 0.04 -0.52 -0.55 8.47 7.34 1dy7A1 GLN 292 HA -0.02 0.24 0.22 -0.75 4.36 4.05 1dy7A1 GLN 292 HB2 -0.02 0.07 -0.05 -0.04 2.15 2.10 1dy7A1 GLN 292 HB3 0.00 -0.08 0.05 -0.04 2.02 1.95 1dy7A1 GLN 292 HG2 -0.02 0.19 -0.11 -0.04 2.40 2.41 1dy7A1 GLN 292 HG3 -0.05 0.09 -0.35 -0.04 2.39 2.04 1dy7A1 GLN 292 HE21 -0.00 -0.07 -0.01 -0.04 6.97 6.85 1dy7A1 GLN 292 HE22 -0.02 0.08 -0.03 -0.04 7.69 7.68 1dy7A1 GLU 293 H -0.00 0.01 -0.01 -0.55 8.60 8.06 1dy7A1 GLU 293 HA 0.04 0.20 0.81 -0.75 4.29 4.59 1dy7A1 GLU 293 HB2 0.01 -0.06 -0.04 -0.04 2.09 1.96 1dy7A1 GLU 293 HB3 0.03 0.04 0.05 -0.04 1.99 2.07 1dy7A1 GLU 293 HG2 -0.01 -0.01 -0.43 -0.04 2.34 1.85 1dy7A1 GLU 293 HG3 0.00 -0.03 -0.07 -0.04 2.34 2.20 1dy7A1 TYR 294 H 0.16 0.14 0.09 -0.55 8.29 8.14 1dy7A1 TYR 294 HA 0.03 0.09 0.31 -0.75 4.56 4.24 1dy7A1 TYR 294 HB2 0.01 0.01 0.03 -0.04 3.06 3.06 1dy7A1 TYR 294 HB3 0.00 -0.01 0.07 -0.04 2.98 3.00 1dy7A1 TYR 294 HD2 0.01 -0.04 -0.19 -0.04 7.15 6.89 1dy7A1 TYR 294 HE2 0.03 0.00 -0.17 -0.04 6.85 6.67 1dy7A1 HIS 295 H -0.46 0.71 0.35 -0.55 8.41 8.46 1dy7A1 HIS 295 HA -0.22 0.19 0.87 -0.75 4.63 4.72 1dy7A1 HIS 295 HB2 -0.14 0.04 -0.03 -0.04 3.26 3.09 1dy7A1 HIS 295 HB3 -0.19 -0.01 0.08 -0.04 3.20 3.03 1dy7A1 HIS 295 HD2 -0.05 0.03 -0.04 -0.04 6.97 6.86 1dy7A1 HIS 295 HE1 0.02 0.12 -0.04 -0.04 7.75 7.80 1dy7A1 PRO 296 HA -0.12 0.10 0.52 -0.51 4.44 4.43 1dy7A1 PRO 296 HB2 0.15 0.05 0.07 -0.04 2.28 2.51 1dy7A1 PRO 296 HB3 0.18 0.02 0.06 -0.04 2.02 2.24 1dy7A1 PRO 296 HG2 -0.04 0.04 0.00 -0.04 2.03 1.99 1dy7A1 PRO 296 HG3 -0.02 0.05 0.04 -0.04 2.03 2.06 1dy7A1 PRO 296 HD2 -0.63 0.08 0.21 -0.04 3.68 3.30 1dy7A1 PRO 296 HD3 -0.23 0.23 0.08 -0.04 3.65 3.69 1dy7A1 GLU 297 H 0.57 0.02 -0.40 -0.55 8.60 8.25 1dy7A1 GLU 297 HA 0.19 0.22 0.69 -0.75 4.29 4.64 1dy7A1 GLU 297 HB2 0.31 0.04 -0.29 -0.04 2.09 2.11 1dy7A1 GLU 297 HB3 0.30 -0.06 0.10 -0.04 1.99 2.29 1dy7A1 GLU 297 HG2 0.24 -0.07 0.06 -0.04 2.34 2.53 1dy7A1 GLU 297 HG3 0.60 0.10 0.04 -0.04 2.34 3.04 1dy7A1 PRO 298 HA -0.21 -0.11 0.69 -0.51 4.44 4.30 1dy7A1 PRO 298 HB2 -0.08 0.16 0.04 -0.04 2.28 2.35 1dy7A1 PRO 298 HB3 -0.20 -0.21 -0.02 -0.04 2.02 1.55 1dy7A1 PRO 298 HG2 -0.08 0.24 0.09 -0.04 2.03 2.24 1dy7A1 PRO 298 HG3 -0.14 -0.06 -0.10 -0.04 2.03 1.70 1dy7A1 PRO 298 HD2 -0.04 0.08 -0.17 -0.04 3.68 3.51 1dy7A1 PRO 298 HD3 0.02 0.12 -0.31 -0.04 3.65 3.44 1dy7A1 ARG 299 H -0.08 0.10 0.24 -0.55 8.46 8.17 1dy7A1 ARG 299 HA 0.03 0.23 0.60 -0.75 4.34 4.44 1dy7A1 ARG 299 HB2 -0.20 -0.15 0.12 -0.04 1.90 1.63 1dy7A1 ARG 299 HB3 -0.29 0.10 0.01 -0.04 1.80 1.58 1dy7A1 ARG 299 HG2 0.01 0.26 0.13 -0.04 1.67 2.03 1dy7A1 ARG 299 HG3 -0.05 0.05 0.10 -0.04 1.67 1.73 1dy7A1 ARG 299 HD2 -1.20 -0.01 0.02 -0.04 3.22 1.98 1dy7A1 ARG 299 HD3 -0.16 0.02 0.01 -0.04 3.22 3.05 1dy7A1 VAL 300 H 0.12 0.59 0.29 -0.55 8.24 8.69 1dy7A1 VAL 300 HA 0.04 0.19 0.86 -0.75 4.13 4.47 1dy7A1 VAL 300 HB 0.07 -0.10 0.13 -0.04 2.12 2.18 1dy7A1 VAL 300 HG13 -0.02 0.05 -0.15 -0.04 0.97 0.81 1dy7A1 VAL 300 HG23 0.08 0.00 -0.08 -0.04 0.95 0.91 1dy7A1 ALA 301 H 0.05 0.52 0.14 -0.55 8.40 8.56 1dy7A1 ALA 301 HA 0.17 0.08 0.65 -0.75 4.34 4.48 1dy7A1 ALA 301 HB3 0.05 -0.03 0.09 -0.04 1.41 1.48 1dy7A1 ALA 302 H -0.04 0.51 0.18 -0.55 8.40 8.50 1dy7A1 ALA 302 HA -0.04 0.04 0.39 -0.75 4.34 3.97 1dy7A1 ALA 302 HB3 0.03 -0.01 0.10 -0.04 1.41 1.49 1dy7A1 ILE 303 H -0.07 0.22 0.15 -0.55 8.25 8.01 1dy7A1 ILE 303 HA -0.15 0.31 0.98 -0.75 4.18 4.57 1dy7A1 ILE 303 HB -0.17 -0.05 -0.12 -0.04 1.89 1.52 1dy7A1 ILE 303 HG12 -0.19 -0.02 -0.13 -0.04 1.49 1.11 1dy7A1 ILE 303 HG13 -0.11 0.11 -0.44 -0.04 1.21 0.73 1dy7A1 ILE 303 HG23 -0.26 0.00 -0.24 -0.04 0.93 0.39 1dy7A1 ILE 303 HD13 -0.20 -0.02 -0.37 -0.04 0.88 0.25 1dy7A1 LEU 304 H -0.21 0.57 0.24 -0.55 8.37 8.42 1dy7A1 LEU 304 HA -0.02 0.23 0.81 -0.75 4.35 4.61 1dy7A1 LEU 304 HB2 -0.40 -0.04 -0.03 -0.04 1.64 1.13 1dy7A1 LEU 304 HB3 -0.05 -0.00 0.10 -0.04 1.64 1.65 1dy7A1 LEU 304 HG 0.06 0.08 0.09 -0.04 1.64 1.84 1dy7A1 LEU 304 HD13 0.03 0.01 -0.39 -0.04 0.93 0.53 1dy7A1 LEU 304 HD23 0.21 0.02 -0.06 -0.04 0.89 1.02 1dy7A1 ALA 305 H 0.08 0.27 0.18 -0.55 8.40 8.38 1dy7A1 ALA 305 HA 0.12 0.11 1.06 -0.75 4.34 4.87 1dy7A1 ALA 305 HB3 0.12 -0.02 0.11 -0.04 1.41 1.57 1dy7A1 SER 306 H -0.04 0.58 0.25 -0.55 8.46 8.70 1dy7A1 SER 306 HA 0.09 0.04 0.48 -0.75 4.49 4.34 1dy7A1 SER 306 HB2 -0.08 0.00 0.03 -0.04 3.95 3.86 1dy7A1 SER 306 HB3 -0.10 0.24 0.25 -0.04 3.93 4.27 1dy7A1 HIS 307 H 0.31 0.19 0.24 -0.55 8.41 8.60 1dy7A1 HIS 307 HA -0.03 0.23 0.73 -0.75 4.63 4.80 1dy7A1 HIS 307 HB2 0.14 0.11 0.13 -0.04 3.26 3.61 1dy7A1 HIS 307 HB3 -0.07 -0.02 0.16 -0.04 3.20 3.24 1dy7A1 HIS 307 HD2 0.01 0.09 -0.04 -0.04 6.97 6.98 1dy7A1 HIS 307 HE1 -0.56 0.17 -0.03 -0.04 7.75 7.29 1dy7A1 TYR 308 H 0.22 -0.06 0.04 -0.55 8.29 7.94 1dy7A1 TYR 308 HA -0.00 0.22 0.85 -0.75 4.56 4.87 1dy7A1 TYR 308 HB2 -0.06 -0.07 -0.04 -0.04 3.06 2.85 1dy7A1 TYR 308 HB3 -0.06 0.05 -0.09 -0.04 2.98 2.84 1dy7A1 TYR 308 HD2 -0.02 0.01 -0.03 -0.04 7.15 7.07 1dy7A1 TYR 308 HE2 -0.01 0.09 -0.16 -0.04 6.85 6.73 1dy7A1 ARG 309 H -0.00 0.05 0.03 -0.55 8.46 7.99 1dy7A1 ARG 309 HA -0.09 0.24 0.63 -0.75 4.34 4.38 1dy7A1 ARG 309 HB2 -0.17 -0.08 -0.15 -0.04 1.90 1.46 1dy7A1 ARG 309 HB3 -0.14 0.04 0.06 -0.04 1.80 1.72 1dy7A1 ARG 309 HG2 0.00 0.03 -0.50 -0.04 1.67 1.16 1dy7A1 ARG 309 HG3 -0.06 0.07 -0.08 -0.04 1.67 1.57 1dy7A1 ARG 309 HD2 -0.06 -0.04 -0.03 -0.04 3.22 3.05 1dy7A1 ARG 309 HD3 -0.04 0.23 0.01 -0.04 3.22 3.38 1dy7A1 PRO 310 HA -0.68 0.07 0.42 -0.51 4.44 3.73 1dy7A1 PRO 310 HB2 -1.54 -0.08 0.15 -0.04 2.28 0.77 1dy7A1 PRO 310 HB3 -1.28 0.08 0.01 -0.04 2.02 0.80 1dy7A1 PRO 310 HG2 -0.47 -0.02 0.09 -0.04 2.03 1.58 1dy7A1 PRO 310 HG3 -0.23 0.10 0.04 -0.04 2.03 1.90 1dy7A1 PRO 310 HD2 -0.26 0.12 0.11 -0.04 3.68 3.60 1dy7A1 PRO 310 HD3 -0.16 0.20 0.12 -0.04 3.65 3.78 1dy7A1 GLU 311 H -0.48 0.58 0.24 -0.55 8.60 8.40 1dy7A1 GLU 311 HA -0.63 0.32 0.95 -0.75 4.29 4.19 1dy7A1 GLU 311 HB2 -0.24 -0.04 -0.19 -0.04 2.09 1.58 1dy7A1 GLU 311 HB3 -0.20 0.07 -0.25 -0.04 1.99 1.56 1dy7A1 GLU 311 HG2 -0.27 0.02 -0.67 -0.04 2.34 1.38 1dy7A1 GLU 311 HG3 -0.36 -0.08 -0.65 -0.04 2.34 1.21 1dy7A1 PHE 312 H -0.08 0.57 0.30 -0.55 8.34 8.58 1dy7A1 PHE 312 HA -0.07 0.17 0.93 -0.75 4.62 4.89 1dy7A1 PHE 312 HB2 -0.15 -0.01 0.04 -0.04 3.15 2.99 1dy7A1 PHE 312 HB3 -0.18 0.06 -0.07 -0.04 3.06 2.83 1dy7A1 PHE 312 HD2 -0.06 0.09 -0.09 -0.04 7.28 7.19 1dy7A1 PHE 312 HE2 -0.21 0.05 -0.54 -0.04 7.38 6.64 1dy7A1 PHE 312 HZ -0.26 -0.04 -0.49 -0.04 7.32 6.49 1dy7A1 ILE 313 H -0.03 0.74 0.17 -0.55 8.25 8.58 1dy7A1 ILE 313 HA -0.18 0.28 0.79 -0.75 4.18 4.32 1dy7A1 ILE 313 HB -0.41 -0.13 0.01 -0.04 1.89 1.31 1dy7A1 ILE 313 HG12 -0.20 0.04 -0.26 -0.04 1.49 1.03 1dy7A1 ILE 313 HG13 -0.14 -0.08 -0.47 -0.04 1.21 0.47 1dy7A1 ILE 313 HG23 -0.77 0.00 -0.28 -0.04 0.93 -0.16 1dy7A1 ILE 313 HD13 -0.22 -0.02 -0.33 -0.04 0.88 0.27 1dy7A1 VAL 314 H -0.17 0.74 0.23 -0.55 8.24 8.49 1dy7A1 VAL 314 HA -0.18 0.26 0.99 -0.75 4.13 4.44 1dy7A1 VAL 314 HB -0.26 -0.07 0.03 -0.04 2.12 1.78 1dy7A1 VAL 314 HG13 -0.19 0.01 -0.32 -0.04 0.97 0.42 1dy7A1 VAL 314 HG23 -0.56 0.00 -0.29 -0.04 0.95 0.06 1dy7A1 ASN 315 H -0.05 0.70 0.16 -0.55 8.53 8.78 1dy7A1 ASN 315 HA 0.01 0.10 0.71 -0.75 4.76 4.83 1dy7A1 ASN 315 HB2 0.04 0.10 0.10 -0.04 2.88 3.07 1dy7A1 ASN 315 HB3 0.04 -0.04 -0.20 -0.04 2.79 2.55 1dy7A1 ASN 315 HD21 0.21 -0.05 -0.30 -0.04 7.03 6.84 1dy7A1 ASN 315 HD22 0.10 0.35 -0.13 -0.04 7.74 8.03 1dy7A1 VAL 316 H -0.02 0.69 0.26 -0.55 8.24 8.62 1dy7A1 VAL 316 HA -0.01 0.26 0.82 -0.75 4.13 4.45 1dy7A1 VAL 316 HB -0.04 -0.08 0.15 -0.04 2.12 2.11 1dy7A1 VAL 316 HG13 -0.04 -0.00 -0.17 -0.04 0.97 0.72 1dy7A1 VAL 316 HG23 0.00 0.04 -0.22 -0.04 0.95 0.73 1dy7A1 LYS 317 H -0.02 0.80 0.15 -0.55 8.42 8.80 1dy7A1 LYS 317 HA -0.02 0.00 0.42 -0.75 4.32 3.97 1dy7A1 LYS 317 HB2 0.04 0.15 0.10 -0.04 1.87 2.12 1dy7A1 LYS 317 HB3 -0.05 -0.11 0.24 -0.04 1.79 1.83 1dy7A1 LYS 317 HG2 0.09 -0.10 -0.18 -0.04 1.46 1.23 1dy7A1 LYS 317 HG3 0.14 0.07 -0.09 -0.04 1.46 1.54 1dy7A1 LYS 317 HD2 -0.03 -0.02 0.02 -0.04 1.69 1.62 1dy7A1 LYS 317 HD3 0.12 -0.04 -0.02 -0.04 1.68 1.70 1dy7A1 LYS 317 HE2 0.09 0.04 -0.04 -0.04 2.99 3.04 1dy7A1 LYS 317 HE3 0.03 -0.02 -0.02 -0.04 2.99 2.94 1dy7A1 GLU 318 H -0.18 0.15 0.13 -0.55 8.60 8.15 1dy7A1 GLU 318 HA -0.39 0.05 0.37 -0.75 4.29 3.57 1dy7A1 GLU 318 HB2 -0.59 -0.02 0.09 -0.04 2.09 1.53 1dy7A1 GLU 318 HB3 -0.94 0.03 0.02 -0.04 1.99 1.06 1dy7A1 GLU 318 HG2 -0.05 0.07 0.06 -0.04 2.34 2.39 1dy7A1 GLU 318 HG3 0.05 -0.02 0.06 -0.04 2.34 2.39 1dy7A1 THR 319 H -0.19 0.10 -0.38 -0.55 8.28 7.27 1dy7A1 THR 319 HA -0.10 0.09 0.71 -0.75 4.39 4.33 1dy7A1 THR 319 HB -0.03 0.18 -0.14 -0.04 4.32 4.30 1dy7A1 THR 319 HG23 -0.11 -0.02 -0.33 -0.04 1.22 0.72 1dy7A1 GLY 320 H -0.13 0.30 -0.18 -0.55 8.43 7.89 1dy7A1 GLY 320 HA2 -0.12 0.16 0.33 -0.51 4.01 3.88 1dy7A1 GLY 320 HA3 -0.05 -0.13 -0.03 -0.51 4.01 3.29 1dy7A1 LYS 321 H -0.06 0.26 0.02 -0.55 8.42 8.08 1dy7A1 LYS 321 HA -0.08 0.39 1.00 -0.75 4.32 4.87 1dy7A1 LYS 321 HB2 -0.03 -0.06 -0.09 -0.04 1.87 1.65 1dy7A1 LYS 321 HB3 -0.03 -0.00 -0.21 -0.04 1.79 1.51 1dy7A1 LYS 321 HG2 -0.00 0.04 -0.32 -0.04 1.46 1.14 1dy7A1 LYS 321 HG3 0.02 0.01 -0.59 -0.04 1.46 0.86 1dy7A1 LYS 321 HD2 0.00 -0.01 -0.19 -0.04 1.69 1.45 1dy7A1 LYS 321 HD3 0.01 -0.04 -0.20 -0.04 1.68 1.41 1dy7A1 LYS 321 HE2 0.06 -0.05 -0.17 -0.04 2.99 2.79 1dy7A1 LYS 321 HE3 0.06 0.04 -0.21 -0.04 2.99 2.85 1dy7A1 ILE 322 H -0.06 0.62 0.20 -0.55 8.25 8.45 1dy7A1 ILE 322 HA -0.02 0.25 0.86 -0.75 4.18 4.51 1dy7A1 ILE 322 HB -0.02 -0.02 -0.01 -0.04 1.89 1.79 1dy7A1 ILE 322 HG12 0.07 0.01 -0.19 -0.04 1.49 1.33 1dy7A1 ILE 322 HG13 -0.05 -0.03 -0.30 -0.04 1.21 0.79 1dy7A1 ILE 322 HG23 0.05 -0.00 -0.34 -0.04 0.93 0.60 1dy7A1 ILE 322 HD13 0.00 -0.01 -0.23 -0.04 0.88 0.61 1dy7A1 LEU 323 H -0.08 0.73 0.22 -0.55 8.37 8.69 1dy7A1 LEU 323 HA -0.05 0.33 1.00 -0.75 4.35 4.87 1dy7A1 LEU 323 HB2 -0.14 -0.09 0.01 -0.04 1.64 1.38 1dy7A1 LEU 323 HB3 -0.05 0.02 -0.11 -0.04 1.64 1.46 1dy7A1 LEU 323 HG -0.04 0.09 -0.15 -0.04 1.64 1.49 1dy7A1 LEU 323 HD13 0.09 0.00 -0.16 -0.04 0.93 0.82 1dy7A1 LEU 323 HD23 -0.01 -0.01 -0.31 -0.04 0.89 0.52 1dy7A1 LEU 324 H -0.07 0.65 0.27 -0.55 8.37 8.68 1dy7A1 LEU 324 HA -0.12 0.30 0.89 -0.75 4.35 4.67 1dy7A1 LEU 324 HB2 -0.09 -0.05 0.18 -0.04 1.64 1.64 1dy7A1 LEU 324 HB3 -0.12 0.00 -0.03 -0.04 1.64 1.46 1dy7A1 LEU 324 HG -0.08 0.03 -0.23 -0.04 1.64 1.32 1dy7A1 LEU 324 HD13 -0.09 0.01 -0.11 -0.04 0.93 0.70 1dy7A1 LEU 324 HD23 -0.12 0.01 -0.19 -0.04 0.89 0.55 1dy7A1 VAL 325 H -0.10 0.64 0.15 -0.55 8.24 8.38 1dy7A1 VAL 325 HA -0.06 0.22 0.94 -0.75 4.13 4.48 1dy7A1 VAL 325 HB -0.00 -0.11 0.07 -0.04 2.12 2.04 1dy7A1 VAL 325 HG13 0.09 0.02 -0.24 -0.04 0.97 0.80 1dy7A1 VAL 325 HG23 -0.18 0.02 -0.28 -0.04 0.95 0.48 1dy7A1 ASP 326 H -0.13 0.73 0.26 -0.55 8.40 8.71 1dy7A1 ASP 326 HA -0.47 0.20 0.67 -0.75 4.63 4.28 1dy7A1 ASP 326 HB2 -0.21 0.01 -0.00 -0.04 2.71 2.47 1dy7A1 ASP 326 HB3 -0.16 0.06 0.27 -0.04 2.70 2.82 1dy7A1 TYR 327 H -1.01 0.54 0.30 -0.55 8.29 7.57 1dy7A1 TYR 327 HA -0.28 0.18 0.64 -0.75 4.56 4.35 1dy7A1 TYR 327 HB2 -0.61 -0.02 0.08 -0.04 3.06 2.47 1dy7A1 TYR 327 HB3 -0.35 0.01 -0.06 -0.04 2.98 2.53 1dy7A1 TYR 327 HD2 -0.92 0.02 -0.20 -0.04 7.15 6.00 1dy7A1 TYR 327 HE2 -1.12 0.04 -0.23 -0.04 6.85 5.50 1dy7A1 THR 328 H -0.40 0.13 -0.32 -0.55 8.28 7.14 1dy7A1 THR 328 HA -0.29 0.12 0.45 -0.75 4.39 3.92 1dy7A1 THR 328 HB 0.10 0.01 0.08 -0.04 4.32 4.47 1dy7A1 THR 328 HG23 -0.52 0.01 0.03 -0.04 1.22 0.70 1dy7A1 ASP 329 H -0.08 0.24 -0.34 -0.55 8.40 7.67 1dy7A1 ASP 329 HA 0.05 0.10 0.61 -0.75 4.63 4.63 1dy7A1 ASP 329 HB2 0.02 0.08 -0.16 -0.04 2.71 2.61 1dy7A1 ASP 329 HB3 -0.02 0.16 0.12 -0.04 2.70 2.92 1dy7A1 LEU 330 H 0.02 0.19 -0.02 -0.55 8.37 8.02 1dy7A1 LEU 330 HA -0.04 0.21 0.49 -0.75 4.35 4.25 1dy7A1 LEU 330 HB2 -0.01 0.01 -0.05 -0.04 1.64 1.55 1dy7A1 LEU 330 HB3 -0.05 0.04 0.01 -0.04 1.64 1.60 1dy7A1 LEU 330 HG -0.06 0.02 -0.14 -0.04 1.64 1.41 1dy7A1 LEU 330 HD13 -0.20 -0.00 -0.12 -0.04 0.93 0.57 1dy7A1 LEU 330 HD23 -0.17 0.01 -0.15 -0.04 0.89 0.55 1dy7A1 ASP 331 H 0.00 -0.03 -0.24 -0.55 8.40 7.58 1dy7A1 ASP 331 HA -0.01 0.22 0.79 -0.75 4.63 4.86 1dy7A1 ASP 331 HB2 0.00 -0.04 0.03 -0.04 2.71 2.67 1dy7A1 ASP 331 HB3 -0.00 0.03 0.02 -0.04 2.70 2.71 1dy7A1 ASN 332 H -0.01 0.01 -0.22 -0.55 8.53 7.76 1dy7A1 ASN 332 HA -0.02 0.16 0.70 -0.75 4.76 4.85 1dy7A1 ASN 332 HB2 -0.01 -0.02 0.16 -0.04 2.88 2.97 1dy7A1 ASN 332 HB3 -0.01 0.04 0.07 -0.04 2.79 2.85 1dy7A1 ASN 332 HD21 0.00 0.02 -0.04 -0.04 7.03 6.98 1dy7A1 ASN 332 HD22 0.00 -0.02 0.01 -0.04 7.74 7.69 1dy7A1 LEU 333 H -0.02 0.24 -0.25 -0.55 8.37 7.79 1dy7A1 LEU 333 HA -0.04 0.27 0.46 -0.75 4.35 4.29 1dy7A1 LEU 333 HB2 -0.03 0.09 -0.14 -0.04 1.64 1.51 1dy7A1 LEU 333 HB3 -0.03 -0.04 0.04 -0.04 1.64 1.57 1dy7A1 LEU 333 HG -0.02 0.03 -0.48 -0.04 1.64 1.13 1dy7A1 LEU 333 HD13 -0.03 0.02 -0.07 -0.04 0.93 0.82 1dy7A1 LEU 333 HD23 0.00 -0.02 -0.13 -0.04 0.89 0.70 1dy7A1 LYS 334 H -0.06 0.23 0.29 -0.55 8.42 8.32 1dy7A1 LYS 334 HA -0.04 0.12 0.70 -0.75 4.32 4.35 1dy7A1 LYS 334 HB2 -0.09 -0.07 0.21 -0.04 1.87 1.88 1dy7A1 LYS 334 HB3 -0.07 0.03 0.01 -0.04 1.79 1.72 1dy7A1 LYS 334 HG2 -0.04 0.02 -0.04 -0.04 1.46 1.36 1dy7A1 LYS 334 HG3 -0.05 0.11 0.01 -0.04 1.46 1.49 1dy7A1 LYS 334 HD2 -0.04 -0.01 -0.01 -0.04 1.69 1.59 1dy7A1 LYS 334 HD3 -0.07 -0.04 0.02 -0.04 1.68 1.54 1dy7A1 LYS 334 HE2 -0.04 0.02 -0.01 -0.04 2.99 2.91 1dy7A1 LYS 334 HE3 -0.05 -0.01 -0.02 -0.04 2.99 2.87 1dy7A1 THR 335 H -0.04 0.26 0.25 -0.55 8.28 8.21 1dy7A1 THR 335 HA -0.06 0.31 0.93 -0.75 4.39 4.82 1dy7A1 THR 335 HB -0.02 0.00 -0.05 -0.04 4.32 4.22 1dy7A1 THR 335 HG23 0.02 -0.00 -0.25 -0.04 1.22 0.95 1dy7A1 THR 336 H -0.06 0.53 0.27 -0.55 8.28 8.47 1dy7A1 THR 336 HA -0.04 0.18 0.90 -0.75 4.39 4.68 1dy7A1 THR 336 HB -0.06 -0.10 0.14 -0.04 4.32 4.25 1dy7A1 THR 336 HG23 -0.05 0.06 -0.06 -0.04 1.22 1.12 1dy7A1 GLU 337 H -0.03 0.23 0.04 -0.55 8.60 8.29 1dy7A1 GLU 337 HA -0.03 0.15 0.81 -0.75 4.29 4.46 1dy7A1 GLU 337 HB2 -0.01 0.00 0.14 -0.04 2.09 2.18 1dy7A1 GLU 337 HB3 -0.01 0.02 -0.06 -0.04 1.99 1.90 1dy7A1 GLU 337 HG2 -0.00 0.01 -0.15 -0.04 2.34 2.16 1dy7A1 GLU 337 HG3 -0.01 -0.02 -0.18 -0.04 2.34 2.09 1dy7A1 ILE 338 H -0.05 0.80 0.17 -0.55 8.25 8.63 1dy7A1 ILE 338 HA -0.05 0.11 0.72 -0.75 4.18 4.21 1dy7A1 ILE 338 HB -0.06 -0.00 0.09 -0.04 1.89 1.87 1dy7A1 ILE 338 HG12 -0.06 0.06 -0.16 -0.04 1.49 1.29 1dy7A1 ILE 338 HG13 -0.05 0.00 -0.28 -0.04 1.21 0.84 1dy7A1 ILE 338 HG23 -0.09 -0.01 -0.26 -0.04 0.93 0.53 1dy7A1 ILE 338 HD13 -0.06 -0.03 -0.36 -0.04 0.88 0.39 1dy7A1 SER 339 H -0.04 0.18 0.19 -0.55 8.46 8.24 1dy7A1 SER 339 HA -0.08 0.08 0.56 -0.75 4.49 4.30 1dy7A1 SER 339 HB2 0.00 -0.04 0.20 -0.04 3.95 4.07 1dy7A1 SER 339 HB3 0.10 0.05 0.00 -0.04 3.93 4.04 1dy7A1 ALA 340 H -0.48 0.57 0.27 -0.55 8.40 8.22 1dy7A1 ALA 340 HA -0.30 0.11 0.73 -0.75 4.34 4.13 1dy7A1 ALA 340 HB3 -0.21 0.01 -0.10 -0.04 1.41 1.07 1dy7A1 GLU 341 H -0.30 0.26 0.14 -0.55 8.60 8.16 1dy7A1 GLU 341 HA -0.34 0.11 0.55 -0.75 4.29 3.85 1dy7A1 GLU 341 HB2 -0.12 0.10 -0.08 -0.04 2.09 1.95 1dy7A1 GLU 341 HB3 -0.10 -0.06 -0.05 -0.04 1.99 1.74 1dy7A1 GLU 341 HG2 0.02 -0.02 -0.04 -0.04 2.34 2.26 1dy7A1 GLU 341 HG3 0.04 0.21 -0.03 -0.04 2.34 2.52 1dy7A1 ARG 342 H 0.12 0.13 0.10 -0.55 8.46 8.25 1dy7A1 ARG 342 HA -0.22 0.10 0.54 -0.75 4.34 4.01 1dy7A1 ARG 342 HB2 -0.31 -0.01 0.02 -0.04 1.90 1.56 1dy7A1 ARG 342 HB3 -1.14 0.04 0.05 -0.04 1.80 0.71 1dy7A1 ARG 342 HG2 -0.10 0.05 -0.22 -0.04 1.67 1.36 1dy7A1 ARG 342 HG3 0.18 -0.07 -0.00 -0.04 1.67 1.73 1dy7A1 ARG 342 HD2 -0.11 -0.14 0.04 -0.04 3.22 2.97 1dy7A1 ARG 342 HD3 -0.11 -0.00 0.02 -0.04 3.22 3.09 1dy7A1 PHE 343 H -0.48 0.52 0.26 -0.55 8.34 8.09 1dy7A1 PHE 343 HA -0.00 0.05 0.24 -0.75 4.62 4.16 1dy7A1 PHE 343 HB2 0.01 0.07 0.10 -0.04 3.15 3.29 1dy7A1 PHE 343 HB3 0.00 -0.09 0.16 -0.04 3.06 3.09 1dy7A1 PHE 343 HD2 0.00 0.04 -0.16 -0.04 7.28 7.13 1dy7A1 PHE 343 HE2 0.01 0.02 -0.04 -0.04 7.38 7.34 1dy7A1 PHE 343 HZ 0.03 0.03 -0.01 -0.04 7.32 7.32 1dy7A1 LEU 344 H -0.02 0.16 0.03 -0.55 8.37 7.99 1dy7A1 LEU 344 HA 0.04 0.14 0.35 -0.75 4.35 4.12 1dy7A1 LEU 344 HB2 0.00 -0.07 -0.13 -0.04 1.64 1.40 1dy7A1 LEU 344 HB3 0.03 0.02 -0.16 -0.04 1.64 1.49 1dy7A1 LEU 344 HG -0.07 0.24 0.05 -0.04 1.64 1.81 1dy7A1 LEU 344 HD13 -0.05 0.01 -0.27 -0.04 0.93 0.58 1dy7A1 LEU 344 HD23 -0.08 -0.03 -0.22 -0.04 0.89 0.53 1dy7A1 HIS 345 H 0.11 0.41 0.19 -0.55 8.41 8.57 1dy7A1 HIS 345 HA 0.07 0.11 0.91 -0.75 4.63 4.96 1dy7A1 HIS 345 HB2 0.07 0.07 -0.03 -0.04 3.26 3.34 1dy7A1 HIS 345 HB3 0.02 -0.09 0.34 -0.04 3.20 3.43 1dy7A1 HIS 345 HD2 -0.04 -0.03 0.11 -0.04 6.97 6.97 1dy7A1 HIS 345 HE1 0.23 0.02 -0.01 -0.04 7.75 7.95 1dy7A1 ASP 346 H 0.09 0.14 0.29 -0.55 8.40 8.37 1dy7A1 ASP 346 HA -0.03 0.16 0.88 -0.75 4.63 4.88 1dy7A1 ASP 346 HB2 -0.01 0.19 0.24 -0.04 2.71 3.09 1dy7A1 ASP 346 HB3 -0.14 0.01 0.11 -0.04 2.70 2.64 1dy7A1 GLY 347 H 0.12 0.32 0.28 -0.55 8.43 8.60 1dy7A1 GLY 347 HA2 0.21 0.02 0.43 -0.51 4.01 4.16 1dy7A1 GLY 347 HA3 -0.08 0.02 0.64 -0.51 4.01 4.08 1dy7A1 GLY 348 H 0.03 0.57 0.36 -0.55 8.43 8.84 1dy7A1 GLY 348 HA2 0.36 0.04 0.74 -0.51 4.01 4.65 1dy7A1 GLY 348 HA3 0.43 0.38 0.50 -0.51 4.01 4.82 1dy7A1 LEU 349 H 0.58 0.16 0.24 -0.55 8.37 8.80 1dy7A1 LEU 349 HA 0.16 0.24 0.87 -0.75 4.35 4.86 1dy7A1 LEU 349 HB2 0.18 0.10 0.16 -0.04 1.64 2.05 1dy7A1 LEU 349 HB3 0.07 -0.14 0.07 -0.04 1.64 1.60 1dy7A1 LEU 349 HG 0.24 -0.07 0.01 -0.04 1.64 1.77 1dy7A1 LEU 349 HD13 0.03 0.06 0.06 -0.04 0.93 1.04 1dy7A1 LEU 349 HD23 0.10 -0.02 -0.33 -0.04 0.89 0.60 1dy7A1 ASP 350 H 0.08 0.35 0.29 -0.55 8.40 8.56 1dy7A1 ASP 350 HA 0.17 0.18 0.57 -0.75 4.63 4.80 1dy7A1 ASP 350 HB2 0.12 0.01 0.17 -0.04 2.71 2.97 1dy7A1 ASP 350 HB3 0.18 0.12 0.15 -0.04 2.70 3.10 1dy7A1 GLY 351 H 0.03 0.16 0.15 -0.55 8.43 8.23 1dy7A1 GLY 351 HA2 -0.21 0.14 0.28 -0.51 4.01 3.71 1dy7A1 GLY 351 HA3 -0.06 0.04 0.33 -0.51 4.01 3.82 1dy7A1 SER 352 H -0.00 -0.01 -0.18 -0.55 8.46 7.71 1dy7A1 SER 352 HA 0.02 0.20 0.53 -0.75 4.49 4.49 1dy7A1 SER 352 HB2 0.13 0.07 0.10 -0.04 3.95 4.22 1dy7A1 SER 352 HB3 0.09 0.02 0.08 -0.04 3.93 4.07 1dy7A1 HIS 353 H -0.19 0.34 -0.47 -0.55 8.41 7.53 1dy7A1 HIS 353 HA -0.11 0.09 0.26 -0.75 4.63 4.12 1dy7A1 HIS 353 HB2 -0.06 0.20 -0.12 -0.04 3.26 3.23 1dy7A1 HIS 353 HB3 -0.60 -0.10 0.20 -0.04 3.20 2.66 1dy7A1 HIS 353 HD2 -0.37 -0.13 0.10 -0.04 6.97 6.52 1dy7A1 HIS 353 HE1 -0.06 -0.09 0.04 -0.04 7.75 7.60 1dy7A1 ARG 354 H 0.02 -0.07 -0.29 -0.55 8.46 7.57 1dy7A1 ARG 354 HA -0.52 0.20 0.84 -0.75 4.34 4.10 1dy7A1 ARG 354 HB2 -0.46 0.15 -0.04 -0.04 1.90 1.51 1dy7A1 ARG 354 HB3 -0.39 -0.03 0.02 -0.04 1.80 1.36 1dy7A1 ARG 354 HG2 -1.43 -0.07 -0.17 -0.04 1.67 -0.04 1dy7A1 ARG 354 HG3 -1.23 -0.07 0.09 -0.04 1.67 0.41 1dy7A1 ARG 354 HD2 -0.50 0.08 -0.01 -0.04 3.22 2.76 1dy7A1 ARG 354 HD3 -0.33 0.03 -0.02 -0.04 3.22 2.86 1dy7A1 TYR 355 H 0.09 -0.01 0.11 -0.55 8.29 7.93 1dy7A1 TYR 355 HA -0.12 0.26 1.05 -0.75 4.56 4.99 1dy7A1 TYR 355 HB2 0.12 -0.08 0.10 -0.04 3.06 3.15 1dy7A1 TYR 355 HB3 -0.33 0.13 -0.06 -0.04 2.98 2.68 1dy7A1 TYR 355 HD2 -0.07 0.01 -0.09 -0.04 7.15 6.96 1dy7A1 TYR 355 HE2 0.06 0.03 -0.04 -0.04 6.85 6.85 1dy7A1 PHE 356 H 0.04 0.49 0.27 -0.55 8.34 8.59 1dy7A1 PHE 356 HA -0.10 0.20 0.73 -0.75 4.62 4.69 1dy7A1 PHE 356 HB2 -0.07 -0.02 -0.12 -0.04 3.15 2.90 1dy7A1 PHE 356 HB3 -0.13 -0.06 0.05 -0.04 3.06 2.88 1dy7A1 PHE 356 HD2 -0.07 -0.01 -0.29 -0.04 7.28 6.86 1dy7A1 PHE 356 HE2 -0.05 0.01 -0.39 -0.04 7.38 6.92 1dy7A1 PHE 356 HZ -0.05 0.02 -0.33 -0.04 7.32 6.92 1dy7A1 ILE 357 H -0.44 0.82 0.26 -0.55 8.25 8.33 1dy7A1 ILE 357 HA -0.64 0.30 0.91 -0.75 4.18 4.00 1dy7A1 ILE 357 HB -1.64 0.04 0.10 -0.04 1.89 0.35 1dy7A1 ILE 357 HG12 -0.42 0.01 -0.22 -0.04 1.49 0.82 1dy7A1 ILE 357 HG13 -0.40 -0.07 -0.40 -0.04 1.21 0.30 1dy7A1 ILE 357 HG23 -1.00 -0.01 -0.21 -0.04 0.93 -0.33 1dy7A1 ILE 357 HD13 -0.41 -0.01 -0.14 -0.04 0.88 0.28 1dy7A1 THR 358 H -0.56 0.62 0.27 -0.55 8.28 8.06 1dy7A1 THR 358 HA -0.31 0.22 1.10 -0.75 4.39 4.64 1dy7A1 THR 358 HB -1.36 -0.04 -0.36 -0.04 4.32 2.52 1dy7A1 THR 358 HG23 -0.38 0.01 -0.19 -0.04 1.22 0.61 1dy7A1 ALA 359 H -0.03 0.63 0.29 -0.55 8.40 8.75 1dy7A1 ALA 359 HA -0.01 0.28 0.69 -0.75 4.34 4.54 1dy7A1 ALA 359 HB3 0.05 -0.02 0.04 -0.04 1.41 1.44 1dy7A1 ALA 360 H -0.01 0.61 0.11 -0.55 8.40 8.57 1dy7A1 ALA 360 HA 0.07 0.09 0.03 -0.75 4.34 3.77 1dy7A1 ALA 360 HB3 0.01 0.09 -0.07 -0.04 1.41 1.40 1dy7A1 ASN 361 H 0.11 0.42 -0.16 -0.55 8.53 8.35 1dy7A1 ASN 361 HA 0.06 0.02 0.45 -0.75 4.76 4.54 1dy7A1 ASN 361 HB2 0.04 -0.04 0.02 -0.04 2.88 2.87 1dy7A1 ASN 361 HB3 0.07 0.13 0.14 -0.04 2.79 3.08 1dy7A1 ASN 361 HD21 -0.30 -0.01 0.04 -0.04 7.03 6.72 1dy7A1 ASN 361 HD22 -0.04 0.02 0.08 -0.04 7.74 7.76 1dy7A1 ALA 362 H 0.08 0.20 -0.04 -0.55 8.40 8.10 1dy7A1 ALA 362 HA -0.04 0.07 0.38 -0.75 4.34 4.00 1dy7A1 ALA 362 HB3 -0.31 0.02 0.07 -0.04 1.41 1.14 1dy7A1 ARG 363 H 0.12 0.28 -0.44 -0.55 8.46 7.87 1dy7A1 ARG 363 HA 0.07 0.17 0.78 -0.75 4.34 4.61 1dy7A1 ARG 363 HB2 0.12 0.08 0.03 -0.04 1.90 2.08 1dy7A1 ARG 363 HB3 0.09 -0.01 0.11 -0.04 1.80 1.94 1dy7A1 ARG 363 HG2 0.16 0.06 -0.10 -0.04 1.67 1.75 1dy7A1 ARG 363 HG3 0.36 -0.07 -0.23 -0.04 1.67 1.70 1dy7A1 ARG 363 HD2 0.17 -0.02 0.00 -0.04 3.22 3.33 1dy7A1 ARG 363 HD3 0.13 0.01 0.01 -0.04 3.22 3.33 1dy7A1 ASN 364 H 0.06 0.39 -0.16 -0.55 8.53 8.28 1dy7A1 ASN 364 HA 0.08 0.00 0.37 -0.75 4.76 4.47 1dy7A1 ASN 364 HB2 0.05 0.11 -0.01 -0.04 2.88 2.99 1dy7A1 ASN 364 HB3 0.07 -0.01 0.27 -0.04 2.79 3.08 1dy7A1 ASN 364 HD21 0.02 -0.04 -0.04 -0.04 7.03 6.93 1dy7A1 ASN 364 HD22 0.02 0.00 -0.09 -0.04 7.74 7.64 1dy7A1 LYS 365 H 0.05 0.34 -0.15 -0.55 8.42 8.10 1dy7A1 LYS 365 HA 0.03 0.27 1.11 -0.75 4.32 4.97 1dy7A1 LYS 365 HB2 -0.00 -0.09 -0.16 -0.04 1.87 1.57 1dy7A1 LYS 365 HB3 -0.02 -0.01 -0.23 -0.04 1.79 1.50 1dy7A1 LYS 365 HG2 0.04 0.17 -0.30 -0.04 1.46 1.33 1dy7A1 LYS 365 HG3 0.02 -0.04 -0.16 -0.04 1.46 1.24 1dy7A1 LYS 365 HD2 0.01 -0.09 -0.46 -0.04 1.69 1.11 1dy7A1 LYS 365 HD3 0.03 0.06 -0.31 -0.04 1.68 1.42 1dy7A1 LYS 365 HE2 0.03 -0.03 -0.09 -0.04 2.99 2.86 1dy7A1 LYS 365 HE3 0.02 -0.04 -0.08 -0.04 2.99 2.85 1dy7A1 LEU 366 H -0.01 0.77 0.30 -0.55 8.37 8.88 1dy7A1 LEU 366 HA -0.07 0.25 0.92 -0.75 4.35 4.69 1dy7A1 LEU 366 HB2 -0.02 0.00 0.02 -0.04 1.64 1.60 1dy7A1 LEU 366 HB3 -0.14 0.00 -0.17 -0.04 1.64 1.30 1dy7A1 LEU 366 HG 0.08 -0.04 -0.27 -0.04 1.64 1.38 1dy7A1 LEU 366 HD13 0.23 0.00 -0.23 -0.04 0.93 0.89 1dy7A1 LEU 366 HD23 0.14 0.01 -0.30 -0.04 0.89 0.69 1dy7A1 VAL 367 H -0.21 0.73 0.31 -0.55 8.24 8.52 1dy7A1 VAL 367 HA -0.19 0.26 0.98 -0.75 4.13 4.43 1dy7A1 VAL 367 HB -0.23 -0.03 0.05 -0.04 2.12 1.86 1dy7A1 VAL 367 HG13 -0.20 0.00 -0.19 -0.04 0.97 0.55 1dy7A1 VAL 367 HG23 -0.14 -0.01 -0.16 -0.04 0.95 0.60 1dy7A1 VAL 368 H -0.30 0.71 0.36 -0.55 8.24 8.47 1dy7A1 VAL 368 HA -0.46 0.41 1.15 -0.75 4.13 4.48 1dy7A1 VAL 368 HB -0.76 -0.10 0.11 -0.04 2.12 1.32 1dy7A1 VAL 368 HG13 -1.55 -0.01 -0.21 -0.04 0.97 -0.84 1dy7A1 VAL 368 HG23 -0.40 0.02 -0.24 -0.04 0.95 0.29 1dy7A1 ILE 369 H -0.23 0.63 0.30 -0.55 8.25 8.40 1dy7A1 ILE 369 HA -0.17 0.18 1.03 -0.75 4.18 4.47 1dy7A1 ILE 369 HB -0.06 0.05 -0.21 -0.04 1.89 1.63 1dy7A1 ILE 369 HG12 0.20 0.06 -0.13 -0.04 1.49 1.59 1dy7A1 ILE 369 HG13 0.08 -0.20 0.06 -0.04 1.21 1.11 1dy7A1 ILE 369 HG23 -0.09 -0.00 -0.30 -0.04 0.93 0.50 1dy7A1 ILE 369 HD13 0.04 0.01 -0.27 -0.04 0.88 0.61 1dy7A1 ASP 370 H -0.11 0.81 0.24 -0.55 8.40 8.79 1dy7A1 ASP 370 HA -0.26 0.11 0.83 -0.75 4.63 4.55 1dy7A1 ASP 370 HB2 0.05 0.10 0.04 -0.04 2.71 2.87 1dy7A1 ASP 370 HB3 -0.08 0.03 0.18 -0.04 2.70 2.79 1dy7A1 THR 371 H -0.33 0.68 0.29 -0.55 8.28 8.38 1dy7A1 THR 371 HA -0.13 0.08 0.34 -0.75 4.39 3.93 1dy7A1 THR 371 HB -0.09 -0.06 0.05 -0.04 4.32 4.18 1dy7A1 THR 371 HG23 -0.08 0.02 -0.10 -0.04 1.22 1.01 1dy7A1 LYS 372 H -0.39 0.05 -0.16 -0.55 8.42 7.36 1dy7A1 LYS 372 HA -0.06 0.14 0.45 -0.75 4.32 4.09 1dy7A1 LYS 372 HB2 -0.59 -0.02 0.08 -0.04 1.87 1.30 1dy7A1 LYS 372 HB3 -0.23 -0.05 0.04 -0.04 1.79 1.51 1dy7A1 LYS 372 HG2 0.01 0.05 -0.12 -0.04 1.46 1.36 1dy7A1 LYS 372 HG3 0.22 0.05 0.02 -0.04 1.46 1.71 1dy7A1 LYS 372 HD2 0.10 -0.00 -0.01 -0.04 1.69 1.74 1dy7A1 LYS 372 HD3 -0.04 -0.03 -0.05 -0.04 1.68 1.53 1dy7A1 LYS 372 HE2 0.04 0.01 -0.05 -0.04 2.99 2.94 1dy7A1 LYS 372 HE3 0.11 0.03 -0.01 -0.04 2.99 3.07 1dy7A1 GLU 373 H -0.14 -0.02 -0.18 -0.55 8.60 7.71 1dy7A1 GLU 373 HA -0.05 0.21 0.57 -0.75 4.29 4.27 1dy7A1 GLU 373 HB2 -0.05 -0.03 -0.01 -0.04 2.09 1.95 1dy7A1 GLU 373 HB3 -0.04 0.06 0.04 -0.04 1.99 2.01 1dy7A1 GLU 373 HG2 -0.05 -0.11 -0.05 -0.04 2.34 2.09 1dy7A1 GLU 373 HG3 -0.01 0.04 -0.04 -0.04 2.34 2.28 1dy7A1 GLY 374 H -0.10 0.18 -0.32 -0.55 8.43 7.64 1dy7A1 GLY 374 HA2 -0.08 -0.02 0.20 -0.51 4.01 3.59 1dy7A1 GLY 374 HA3 -0.07 0.06 0.30 -0.51 4.01 3.79 1dy7A1 LYS 375 H -0.08 0.25 0.06 -0.55 8.42 8.09 1dy7A1 LYS 375 HA -0.06 0.16 0.83 -0.75 4.32 4.49 1dy7A1 LYS 375 HB2 -0.05 -0.12 -0.15 -0.04 1.87 1.51 1dy7A1 LYS 375 HB3 -0.05 0.12 -0.02 -0.04 1.79 1.80 1dy7A1 LYS 375 HG2 -0.04 0.05 -0.09 -0.04 1.46 1.34 1dy7A1 LYS 375 HG3 -0.05 0.17 -0.64 -0.04 1.46 0.90 1dy7A1 LYS 375 HD2 -0.03 -0.06 -0.09 -0.04 1.69 1.46 1dy7A1 LYS 375 HD3 -0.03 -0.01 -0.04 -0.04 1.68 1.57 1dy7A1 LYS 375 HE2 -0.03 0.09 -0.04 -0.04 2.99 2.96 1dy7A1 LYS 375 HE3 -0.03 -0.03 -0.04 -0.04 2.99 2.85 1dy7A1 LEU 376 H -0.08 0.18 0.13 -0.55 8.37 8.05 1dy7A1 LEU 376 HA -0.14 0.05 0.68 -0.75 4.35 4.18 1dy7A1 LEU 376 HB2 -0.11 0.05 0.09 -0.04 1.64 1.63 1dy7A1 LEU 376 HB3 -0.09 0.00 0.11 -0.04 1.64 1.62 1dy7A1 LEU 376 HG -0.13 -0.03 -0.30 -0.04 1.64 1.13 1dy7A1 LEU 376 HD13 -0.17 0.04 -0.00 -0.04 0.93 0.76 1dy7A1 LEU 376 HD23 -0.10 0.07 -0.03 -0.04 0.89 0.78 1dy7A1 VAL 377 H -0.25 0.65 0.44 -0.55 8.24 8.54 1dy7A1 VAL 377 HA -0.14 0.17 0.87 -0.75 4.13 4.28 1dy7A1 VAL 377 HB -0.48 -0.01 -0.11 -0.04 2.12 1.47 1dy7A1 VAL 377 HG13 -0.81 -0.01 -0.20 -0.04 0.97 -0.08 1dy7A1 VAL 377 HG23 -0.07 -0.01 -0.18 -0.04 0.95 0.66 1dy7A1 ALA 378 H -0.30 0.29 0.33 -0.55 8.40 8.18 1dy7A1 ALA 378 HA -0.11 0.13 0.52 -0.75 4.34 4.12 1dy7A1 ALA 378 HB3 -0.16 0.04 -0.06 -0.04 1.41 1.19 1dy7A1 ILE 379 H -0.07 0.32 0.15 -0.55 8.25 8.10 1dy7A1 ILE 379 HA -0.11 0.28 0.76 -0.75 4.18 4.35 1dy7A1 ILE 379 HB -0.05 -0.00 0.10 -0.04 1.89 1.89 1dy7A1 ILE 379 HG12 -0.14 -0.03 0.05 -0.04 1.49 1.32 1dy7A1 ILE 379 HG13 -0.12 -0.08 -0.40 -0.04 1.21 0.56 1dy7A1 ILE 379 HG23 -0.05 -0.01 -0.20 -0.04 0.93 0.63 1dy7A1 ILE 379 HD13 -0.12 -0.00 -0.10 -0.04 0.88 0.61 1dy7A1 GLU 380 H -0.04 0.52 0.24 -0.55 8.60 8.78 1dy7A1 GLU 380 HA -0.00 0.16 0.94 -0.75 4.29 4.64 1dy7A1 GLU 380 HB2 0.01 -0.05 -0.02 -0.04 2.09 1.99 1dy7A1 GLU 380 HB3 0.01 0.05 -0.02 -0.04 1.99 1.99 1dy7A1 GLU 380 HG2 0.02 -0.12 -0.27 -0.04 2.34 1.93 1dy7A1 GLU 380 HG3 0.04 0.18 0.03 -0.04 2.34 2.55 1dy7A1 ASP 381 H 0.01 0.17 0.18 -0.55 8.40 8.21 1dy7A1 ASP 381 HA 0.03 0.29 0.75 -0.75 4.63 4.94 1dy7A1 ASP 381 HB2 0.02 0.01 0.12 -0.04 2.71 2.82 1dy7A1 ASP 381 HB3 0.02 -0.01 0.14 -0.04 2.70 2.81 1dy7A1 THR 382 H 0.08 0.53 0.30 -0.55 8.28 8.63 1dy7A1 THR 382 HA 0.06 0.14 0.38 -0.75 4.39 4.22 1dy7A1 THR 382 HB 0.23 -0.00 -0.05 -0.04 4.32 4.46 1dy7A1 THR 382 HG23 0.13 0.02 -0.16 -0.04 1.22 1.17 1dy7A1 GLY 383 H 0.02 0.12 -0.21 -0.55 8.43 7.82 1dy7A1 GLY 383 HA2 -0.01 0.02 0.23 -0.51 4.01 3.74 1dy7A1 GLY 383 HA3 -0.02 0.15 0.41 -0.51 4.01 4.04 1dy7A1 GLY 384 H -0.04 0.00 -0.48 -0.55 8.43 7.38 1dy7A1 GLY 384 HA2 -0.23 0.21 0.73 -0.51 4.01 4.20 1dy7A1 GLY 384 HA3 -0.81 0.00 0.05 -0.51 4.01 2.74 1dy7A1 GLN 385 H -0.15 0.12 -0.06 -0.55 8.47 7.84 1dy7A1 GLN 385 HA 0.04 0.21 0.88 -0.75 4.36 4.73 1dy7A1 GLN 385 HB2 -0.00 -0.05 -0.08 -0.04 2.15 1.97 1dy7A1 GLN 385 HB3 0.01 0.05 -0.03 -0.04 2.02 2.01 1dy7A1 GLN 385 HG2 -0.03 -0.04 -0.19 -0.04 2.40 2.10 1dy7A1 GLN 385 HG3 -0.01 0.06 -0.05 -0.04 2.39 2.34 1dy7A1 GLN 385 HE21 -0.00 0.02 -0.13 -0.04 6.97 6.82 1dy7A1 GLN 385 HE22 -0.02 -0.00 -0.28 -0.04 7.69 7.35 1dy7A1 THR 386 H 0.10 0.26 0.14 -0.55 8.28 8.22 1dy7A1 THR 386 HA 0.07 0.32 0.42 -0.75 4.39 4.45 1dy7A1 THR 386 HB 0.06 -0.16 0.22 -0.04 4.32 4.39 1dy7A1 THR 386 HG23 0.02 0.02 -0.07 -0.04 1.22 1.15 1dy7A1 PRO 387 HA -0.53 0.16 0.43 -0.51 4.44 3.99 1dy7A1 PRO 387 HB2 -0.06 0.03 -0.15 -0.04 2.28 2.06 1dy7A1 PRO 387 HB3 -0.26 0.04 -0.12 -0.04 2.02 1.64 1dy7A1 PRO 387 HG2 0.04 0.00 -0.09 -0.04 2.03 1.94 1dy7A1 PRO 387 HG3 0.08 0.05 -0.25 -0.04 2.03 1.87 1dy7A1 PRO 387 HD2 0.09 0.23 0.29 -0.04 3.68 4.25 1dy7A1 PRO 387 HD3 0.21 0.11 -0.06 -0.04 3.65 3.87 1dy7A1 HIS 388 H -0.12 0.65 0.21 -0.55 8.41 8.60 1dy7A1 HIS 388 HA 0.01 0.06 0.80 -0.75 4.63 4.74 1dy7A1 HIS 388 HB2 -0.05 0.02 -0.06 -0.04 3.26 3.14 1dy7A1 HIS 388 HB3 -0.11 0.06 0.14 -0.04 3.20 3.26 1dy7A1 HIS 388 HD2 0.01 -0.01 0.07 -0.04 6.97 7.00 1dy7A1 HIS 388 HE1 -0.47 -0.02 0.05 -0.04 7.75 7.27 1dy7A1 PRO 389 HA -0.11 -0.01 0.47 -0.51 4.44 4.28 1dy7A1 PRO 389 HB2 0.14 0.06 -0.38 -0.04 2.28 2.05 1dy7A1 PRO 389 HB3 -0.11 -0.00 -0.04 -0.04 2.02 1.84 1dy7A1 PRO 389 HG2 0.11 0.17 -0.17 -0.04 2.03 2.09 1dy7A1 PRO 389 HG3 0.36 0.01 -0.13 -0.04 2.03 2.23 1dy7A1 PRO 389 HD2 -0.06 0.09 0.08 -0.04 3.68 3.74 1dy7A1 PRO 389 HD3 0.03 0.07 -0.17 -0.04 3.65 3.53 1dy7A1 GLY 390 H -0.25 0.06 -0.10 -0.55 8.43 7.60 1dy7A1 GLY 390 HA2 0.20 0.03 0.40 -0.51 4.01 4.13 1dy7A1 GLY 390 HA3 0.39 0.09 0.80 -0.51 4.01 4.78 1dy7A1 ARG 391 H 0.06 0.17 0.27 -0.55 8.46 8.42 1dy7A1 ARG 391 HA 0.07 0.30 0.49 -0.75 4.34 4.44 1dy7A1 ARG 391 HB2 -0.52 0.05 0.20 -0.04 1.90 1.59 1dy7A1 ARG 391 HB3 -1.34 -0.05 0.23 -0.04 1.80 0.59 1dy7A1 ARG 391 HG2 -0.07 0.08 0.22 -0.04 1.67 1.86 1dy7A1 ARG 391 HG3 -0.03 -0.11 0.06 -0.04 1.67 1.55 1dy7A1 ARG 391 HD2 -0.19 -0.00 0.13 -0.04 3.22 3.11 1dy7A1 ARG 391 HD3 0.01 0.00 0.13 -0.04 3.22 3.32 1dy7A1 GLY 392 H 0.03 0.30 -0.05 -0.55 8.43 8.16 1dy7A1 GLY 392 HA2 -0.41 0.08 0.43 -0.51 4.01 3.60 1dy7A1 GLY 392 HA3 -0.57 0.02 0.46 -0.51 4.01 3.41 1dy7A1 ALA 393 H -0.81 0.26 0.24 -0.55 8.40 7.53 1dy7A1 ALA 393 HA 0.14 0.42 0.94 -0.75 4.34 5.08 1dy7A1 ALA 393 HB3 0.10 -0.02 -0.20 -0.04 1.41 1.25 1dy7A1 ASN 394 H 0.22 0.62 0.14 -0.55 8.53 8.97 1dy7A1 ASN 394 HA 0.16 0.28 1.12 -0.75 4.76 5.56 1dy7A1 ASN 394 HB2 0.11 -0.06 0.14 -0.04 2.88 3.02 1dy7A1 ASN 394 HB3 0.09 -0.06 0.06 -0.04 2.79 2.85 1dy7A1 ASN 394 HD21 0.40 0.63 0.12 -0.04 7.03 8.13 1dy7A1 ASN 394 HD22 0.15 -0.21 0.01 -0.04 7.74 7.65 1dy7A1 PHE 395 H -0.13 0.61 0.37 -0.55 8.34 8.64 1dy7A1 PHE 395 HA 0.04 0.11 0.45 -0.75 4.62 4.46 1dy7A1 PHE 395 HB2 0.05 0.01 0.01 -0.04 3.15 3.18 1dy7A1 PHE 395 HB3 0.07 0.12 -0.28 -0.04 3.06 2.92 1dy7A1 PHE 395 HD2 0.07 0.07 -0.56 -0.04 7.28 6.82 1dy7A1 PHE 395 HE2 0.12 -0.02 -0.21 -0.04 7.38 7.23 1dy7A1 PHE 395 HZ 0.23 -0.02 -0.20 -0.04 7.32 7.28 1dy7A1 VAL 396 H 0.24 0.24 0.05 -0.55 8.24 8.21 1dy7A1 VAL 396 HA 0.00 0.08 0.68 -0.75 4.13 4.14 1dy7A1 VAL 396 HB 0.08 0.03 0.07 -0.04 2.12 2.27 1dy7A1 VAL 396 HG13 0.03 0.01 -0.24 -0.04 0.97 0.73 1dy7A1 VAL 396 HG23 0.04 -0.01 -0.08 -0.04 0.95 0.86 1dy7A1 HIS 397 H 0.05 0.63 -0.02 -0.55 8.41 8.53 1dy7A1 HIS 397 HA 0.27 0.17 0.49 -0.75 4.63 4.81 1dy7A1 HIS 397 HB2 0.01 0.03 -0.04 -0.04 3.26 3.22 1dy7A1 HIS 397 HB3 0.08 -0.00 0.05 -0.04 3.20 3.28 1dy7A1 HIS 397 HD2 0.42 0.02 -0.12 -0.04 6.97 7.25 1dy7A1 HIS 397 HE1 -0.53 0.06 -0.52 -0.04 7.75 6.72 1dy7A1 PRO 398 HA 0.00 0.04 0.28 -0.51 4.44 4.26 1dy7A1 PRO 398 HB2 -0.13 0.11 0.01 -0.04 2.28 2.24 1dy7A1 PRO 398 HB3 -0.06 -0.01 0.09 -0.04 2.02 2.00 1dy7A1 PRO 398 HG2 -0.17 0.24 0.14 -0.04 2.03 2.20 1dy7A1 PRO 398 HG3 -0.08 -0.06 0.09 -0.04 2.03 1.94 1dy7A1 PRO 398 HD2 -0.76 -0.01 0.17 -0.04 3.68 3.04 1dy7A1 PRO 398 HD3 -0.11 0.15 0.24 -0.04 3.65 3.89 1dy7A1 THR 399 H 0.29 -0.05 -0.36 -0.55 8.28 7.62 1dy7A1 THR 399 HA -0.01 0.22 0.91 -0.75 4.39 4.77 1dy7A1 THR 399 HB -0.47 -0.13 -0.12 -0.04 4.32 3.56 1dy7A1 THR 399 HG23 -0.17 0.02 -0.12 -0.04 1.22 0.91 1dy7A1 PHE 400 H 0.05 -0.06 -0.12 -0.55 8.34 7.65 1dy7A1 PHE 400 HA -0.07 0.16 0.47 -0.75 4.62 4.43 1dy7A1 PHE 400 HB2 -0.34 -0.00 -0.08 -0.04 3.15 2.68 1dy7A1 PHE 400 HB3 -0.23 0.01 -0.04 -0.04 3.06 2.76 1dy7A1 PHE 400 HD2 -0.61 0.00 -0.11 -0.04 7.28 6.52 1dy7A1 PHE 400 HE2 -0.13 -0.01 -0.06 -0.04 7.38 7.13 1dy7A1 PHE 400 HZ -0.04 0.09 0.05 -0.04 7.32 7.38 1dy7A1 GLY 401 H 0.04 0.41 -0.23 -0.55 8.43 8.10 1dy7A1 GLY 401 HA2 -0.18 0.06 0.19 -0.51 4.01 3.57 1dy7A1 GLY 401 HA3 -0.98 0.13 0.60 -0.51 4.01 3.25 1dy7A1 PRO 402 HA -0.11 0.19 0.60 -0.51 4.44 4.62 1dy7A1 PRO 402 HB2 -0.12 -0.12 -0.01 -0.04 2.28 1.99 1dy7A1 PRO 402 HB3 -0.05 0.02 0.06 -0.04 2.02 2.00 1dy7A1 PRO 402 HG2 -0.02 -0.01 0.04 -0.04 2.03 1.99 1dy7A1 PRO 402 HG3 -0.03 0.07 0.05 -0.04 2.03 2.09 1dy7A1 PRO 402 HD2 -0.41 0.11 0.19 -0.04 3.68 3.53 1dy7A1 PRO 402 HD3 -0.19 0.15 0.17 -0.04 3.65 3.74 1dy7A1 VAL 403 H -0.22 0.67 0.50 -0.55 8.24 8.64 1dy7A1 VAL 403 HA -0.13 0.19 0.95 -0.75 4.13 4.39 1dy7A1 VAL 403 HB -0.17 0.02 0.02 -0.04 2.12 1.95 1dy7A1 VAL 403 HG13 -0.15 0.04 -0.33 -0.04 0.97 0.49 1dy7A1 VAL 403 HG23 -0.81 -0.01 -0.17 -0.04 0.95 -0.08 1dy7A1 TRP 404 H 0.16 0.57 0.33 -0.55 7.97 8.49 1dy7A1 TRP 404 HA 0.00 0.31 0.84 -0.75 4.62 5.02 1dy7A1 TRP 404 HB2 0.04 -0.08 -0.03 -0.04 3.23 3.12 1dy7A1 TRP 404 HB3 0.04 -0.02 0.06 -0.04 3.23 3.26 1dy7A1 TRP 404 HD1 0.16 0.00 -0.15 -0.04 7.22 7.19 1dy7A1 TRP 404 HE1 0.15 0.40 -0.04 -0.04 10.20 10.67 1dy7A1 TRP 404 HE3 0.01 -0.06 -0.38 -0.04 7.59 7.12 1dy7A1 TRP 404 HZ2 -0.01 0.01 -0.28 -0.04 7.44 7.12 1dy7A1 TRP 404 HZ3 -0.04 -0.04 -0.30 -0.04 7.13 6.71 1dy7A1 TRP 404 HH2 -0.06 -0.06 -0.24 -0.04 7.19 6.78 1dy7A1 ALA 405 H -0.38 0.51 0.31 -0.55 8.40 8.28 1dy7A1 ALA 405 HA -0.11 0.37 1.15 -0.75 4.34 5.00 1dy7A1 ALA 405 HB3 0.06 -0.02 -0.06 -0.04 1.41 1.35 1dy7A1 THR 406 H -0.20 0.58 0.32 -0.55 8.28 8.43 1dy7A1 THR 406 HA -0.39 0.10 0.74 -0.75 4.39 4.08 1dy7A1 THR 406 HB -0.47 0.02 -0.18 -0.04 4.32 3.64 1dy7A1 THR 406 HG23 -0.07 0.00 -0.16 -0.04 1.22 0.95 1dy7A1 SER 407 H -0.13 0.15 0.01 -0.55 8.46 7.94 1dy7A1 SER 407 HA 0.02 0.35 0.89 -0.75 4.49 5.00 1dy7A1 SER 407 HB2 0.04 0.05 0.10 -0.04 3.95 4.10 1dy7A1 SER 407 HB3 0.01 -0.02 -0.04 -0.04 3.93 3.84 1dy7A1 HIS 408 H 0.12 0.31 0.15 -0.55 8.41 8.45 1dy7A1 HIS 408 HA 0.03 0.10 0.94 -0.75 4.63 4.95 1dy7A1 HIS 408 HB2 -0.01 0.04 -0.02 -0.04 3.26 3.23 1dy7A1 HIS 408 HB3 0.00 0.13 -0.13 -0.04 3.20 3.17 1dy7A1 HIS 408 HD2 0.01 -0.06 -0.92 -0.04 6.97 5.96 1dy7A1 HIS 408 HE1 -0.04 0.04 -0.33 -0.04 7.75 7.38 1dy7A1 MET 409 H 0.08 0.68 0.33 -0.55 8.47 9.01 1dy7A1 MET 409 HA -0.02 0.06 0.69 -0.75 4.52 4.50 1dy7A1 MET 409 HB2 0.02 0.08 0.21 -0.04 2.15 2.42 1dy7A1 MET 409 HB3 -0.03 -0.05 0.01 -0.04 2.03 1.92 1dy7A1 MET 409 HG2 -0.18 -0.01 -0.04 -0.04 2.63 2.37 1dy7A1 MET 409 HG3 -0.14 0.08 0.08 -0.04 2.56 2.53 1dy7A1 MET 409 HE3 -0.04 -0.01 -0.02 -0.04 2.10 1.99 1dy7A1 GLY 410 H 0.08 0.48 0.15 -0.55 8.43 8.60 1dy7A1 GLY 410 HA2 0.01 0.10 0.53 -0.51 4.01 4.13 1dy7A1 GLY 410 HA3 0.02 -0.01 0.25 -0.51 4.01 3.76 1dy7A1 ASP 411 H 0.05 0.33 -0.17 -0.55 8.40 8.06 1dy7A1 ASP 411 HA -0.00 0.12 0.38 -0.75 4.63 4.37 1dy7A1 ASP 411 HB2 -0.03 -0.05 0.18 -0.04 2.71 2.76 1dy7A1 ASP 411 HB3 -0.03 0.22 0.04 -0.04 2.70 2.89 1dy7A1 ASP 412 H -0.00 0.18 0.03 -0.55 8.40 8.06 1dy7A1 ASP 412 HA 0.02 0.37 0.27 -0.75 4.63 4.54 1dy7A1 ASP 412 HB2 0.04 -0.00 -0.09 -0.04 2.71 2.62 1dy7A1 ASP 412 HB3 0.03 -0.09 -0.16 -0.04 2.70 2.43 1dy7A1 SER 413 H -0.05 -0.02 -0.54 -0.55 8.46 7.30 1dy7A1 SER 413 HA -0.03 0.24 0.24 -0.75 4.49 4.19 1dy7A1 SER 413 HB2 -0.14 0.09 -0.17 -0.04 3.95 3.70 1dy7A1 SER 413 HB3 -0.12 -0.04 -0.15 -0.04 3.93 3.58 1dy7A1 VAL 414 H -0.24 0.60 0.32 -0.55 8.24 8.37 1dy7A1 VAL 414 HA -0.08 0.24 0.91 -0.75 4.13 4.46 1dy7A1 VAL 414 HB -0.96 0.02 0.08 -0.04 2.12 1.22 1dy7A1 VAL 414 HG13 -0.31 -0.02 -0.26 -0.04 0.97 0.34 1dy7A1 VAL 414 HG23 -0.03 -0.01 -0.17 -0.04 0.95 0.70 1dy7A1 ALA 415 H -0.06 0.62 0.29 -0.55 8.40 8.70 1dy7A1 ALA 415 HA -0.14 0.33 1.13 -0.75 4.34 4.91 1dy7A1 ALA 415 HB3 0.08 -0.00 0.01 -0.04 1.41 1.45 1dy7A1 LEU 416 H -0.05 0.53 0.34 -0.55 8.37 8.65 1dy7A1 LEU 416 HA 0.02 0.29 1.06 -0.75 4.35 4.97 1dy7A1 LEU 416 HB2 -0.07 -0.12 0.06 -0.04 1.64 1.48 1dy7A1 LEU 416 HB3 -0.03 0.03 -0.08 -0.04 1.64 1.52 1dy7A1 LEU 416 HG 0.10 0.01 -0.24 -0.04 1.64 1.47 1dy7A1 LEU 416 HD13 0.45 -0.00 -0.16 -0.04 0.93 1.17 1dy7A1 LEU 416 HD23 0.21 0.03 -0.32 -0.04 0.89 0.77 1dy7A1 ILE 417 H 0.12 0.64 0.34 -0.55 8.25 8.81 1dy7A1 ILE 417 HA -0.04 0.40 0.99 -0.75 4.18 4.78 1dy7A1 ILE 417 HB 0.14 -0.03 -0.19 -0.04 1.89 1.77 1dy7A1 ILE 417 HG12 0.15 0.08 -0.12 -0.04 1.49 1.56 1dy7A1 ILE 417 HG13 0.06 0.10 -0.39 -0.04 1.21 0.94 1dy7A1 ILE 417 HG23 0.27 0.03 -0.07 -0.04 0.93 1.11 1dy7A1 ILE 417 HD13 0.14 -0.01 -0.22 -0.04 0.88 0.74 1dy7A1 GLY 418 H -0.18 0.49 0.27 -0.55 8.43 8.47 1dy7A1 GLY 418 HA2 -0.25 0.20 0.66 -0.51 4.01 4.12 1dy7A1 GLY 418 HA3 -0.31 0.23 0.26 -0.51 4.01 3.68 1dy7A1 THR 419 H -0.32 0.63 0.16 -0.55 8.28 8.20 1dy7A1 THR 419 HA -1.33 0.21 0.94 -0.75 4.39 3.46 1dy7A1 THR 419 HB -0.02 -0.12 0.14 -0.04 4.32 4.27 1dy7A1 THR 419 HG23 0.10 0.06 -0.25 -0.04 1.22 1.08 1dy7A1 ASP 420 H -0.52 0.22 -0.19 -0.55 8.40 7.36 1dy7A1 ASP 420 HA -0.17 0.19 0.94 -0.75 4.63 4.84 1dy7A1 ASP 420 HB2 -0.10 0.04 -0.10 -0.04 2.71 2.51 1dy7A1 ASP 420 HB3 -0.06 0.12 0.15 -0.04 2.70 2.88 1dy7A1 PRO 421 HA -0.21 0.15 0.29 -0.51 4.44 4.16 1dy7A1 PRO 421 HB2 0.04 0.05 -0.08 -0.04 2.28 2.25 1dy7A1 PRO 421 HB3 -0.03 0.11 0.02 -0.04 2.02 2.08 1dy7A1 PRO 421 HG2 0.12 0.02 0.00 -0.04 2.03 2.13 1dy7A1 PRO 421 HG3 0.04 0.07 -0.06 -0.04 2.03 2.04 1dy7A1 PRO 421 HD2 -0.11 0.10 0.13 -0.04 3.68 3.77 1dy7A1 PRO 421 HD3 -0.74 0.12 -0.37 -0.04 3.65 2.62 1dy7A1 GLU 422 H -0.00 0.03 -0.24 -0.55 8.60 7.84 1dy7A1 GLU 422 HA 0.00 0.17 0.50 -0.75 4.29 4.21 1dy7A1 GLU 422 HB2 0.03 -0.07 0.07 -0.04 2.09 2.08 1dy7A1 GLU 422 HB3 0.02 0.06 -0.03 -0.04 1.99 2.00 1dy7A1 GLU 422 HG2 0.08 -0.07 -0.01 -0.04 2.34 2.30 1dy7A1 GLU 422 HG3 0.06 0.02 -0.00 -0.04 2.34 2.38 1dy7A1 GLY 423 H 0.01 -0.04 -0.12 -0.55 8.43 7.73 1dy7A1 GLY 423 HA2 -0.08 0.14 0.58 -0.51 4.01 4.13 1dy7A1 GLY 423 HA3 -0.02 -0.02 0.24 -0.51 4.01 3.71 1dy7A1 HIS 424 H 0.01 0.48 -0.16 -0.55 8.41 8.20 1dy7A1 HIS 424 HA -0.05 0.17 0.71 -0.75 4.63 4.70 1dy7A1 HIS 424 HB2 -0.13 -0.09 0.17 -0.04 3.26 3.18 1dy7A1 HIS 424 HB3 -0.08 -0.02 0.18 -0.04 3.20 3.23 1dy7A1 HIS 424 HD2 0.01 0.03 -0.06 -0.04 6.97 6.91 1dy7A1 HIS 424 HE1 -0.00 -0.05 -0.05 -0.04 7.75 7.60 1dy7A1 PRO 425 HA -0.11 0.03 0.41 -0.51 4.44 4.27 1dy7A1 PRO 425 HB2 -0.04 -0.00 -0.02 -0.04 2.28 2.18 1dy7A1 PRO 425 HB3 -0.04 0.20 0.15 -0.04 2.02 2.29 1dy7A1 PRO 425 HG2 -0.04 -0.05 0.04 -0.04 2.03 1.94 1dy7A1 PRO 425 HG3 -0.04 0.07 0.02 -0.04 2.03 2.05 1dy7A1 PRO 425 HD2 -0.08 0.16 -0.17 -0.04 3.68 3.55 1dy7A1 PRO 425 HD3 -0.07 0.22 -0.41 -0.04 3.65 3.35 1dy7A1 ASP 426 H -0.03 0.12 -0.24 -0.55 8.40 7.70 1dy7A1 ASP 426 HA -0.04 0.12 0.38 -0.75 4.63 4.34 1dy7A1 ASP 426 HB2 -0.01 0.00 -0.01 -0.04 2.71 2.66 1dy7A1 ASP 426 HB3 -0.01 0.03 0.03 -0.04 2.70 2.71 1dy7A1 ASN 427 H -0.06 0.25 -0.39 -0.55 8.53 7.78 1dy7A1 ASN 427 HA -0.12 0.19 0.79 -0.75 4.76 4.87 1dy7A1 ASN 427 HB2 -0.07 0.08 0.07 -0.04 2.88 2.92 1dy7A1 ASN 427 HB3 -0.19 -0.09 0.08 -0.04 2.79 2.54 1dy7A1 ASN 427 HD21 0.21 -0.02 0.01 -0.04 7.03 7.19 1dy7A1 ASN 427 HD22 0.05 0.40 0.15 -0.04 7.74 8.30 1dy7A1 ALA 428 H -0.22 0.31 -0.29 -0.55 8.40 7.65 1dy7A1 ALA 428 HA -0.72 -0.12 0.10 -0.75 4.34 2.85 1dy7A1 ALA 428 HB3 -0.77 0.03 -0.19 -0.04 1.41 0.44 1dy7A1 TRP 429 H -0.74 0.65 0.22 -0.55 7.97 7.54 1dy7A1 TRP 429 HA -0.13 -0.01 0.27 -0.75 4.62 3.99 1dy7A1 TRP 429 HB2 -0.11 0.16 -0.01 -0.04 3.23 3.24 1dy7A1 TRP 429 HB3 -0.13 -0.09 0.04 -0.04 3.23 3.01 1dy7A1 TRP 429 HD1 -0.13 0.12 -0.22 -0.04 7.22 6.95 1dy7A1 TRP 429 HE1 -0.31 -0.03 -0.13 -0.04 10.20 9.70 1dy7A1 TRP 429 HE3 -0.20 0.04 -0.03 -0.04 7.59 7.36 1dy7A1 TRP 429 HZ2 -1.89 -0.05 -0.11 -0.04 7.44 5.35 1dy7A1 TRP 429 HZ3 -0.25 -0.02 -0.10 -0.04 7.13 6.71 1dy7A1 TRP 429 HH2 -0.52 -0.09 -0.03 -0.04 7.19 6.52 1dy7A1 LYS 430 H -0.11 0.31 -0.31 -0.55 8.42 7.76 1dy7A1 LYS 430 HA -0.00 0.13 0.84 -0.75 4.32 4.54 1dy7A1 LYS 430 HB2 -0.12 0.05 -0.08 -0.04 1.87 1.68 1dy7A1 LYS 430 HB3 -0.08 0.04 -0.09 -0.04 1.79 1.62 1dy7A1 LYS 430 HG2 -0.01 -0.03 -0.11 -0.04 1.46 1.27 1dy7A1 LYS 430 HG3 -0.05 0.14 -0.35 -0.04 1.46 1.15 1dy7A1 LYS 430 HD2 -0.05 0.27 0.02 -0.04 1.69 1.89 1dy7A1 LYS 430 HD3 -0.05 -0.04 -0.02 -0.04 1.68 1.53 1dy7A1 LYS 430 HE2 -0.01 -0.05 -0.00 -0.04 2.99 2.88 1dy7A1 LYS 430 HE3 -0.01 -0.00 -0.02 -0.04 2.99 2.91 1dy7A1 ILE 431 H -0.03 0.15 0.08 -0.55 8.25 7.90 1dy7A1 ILE 431 HA -0.04 0.19 0.73 -0.75 4.18 4.30 1dy7A1 ILE 431 HB -0.02 -0.01 0.16 -0.04 1.89 1.98 1dy7A1 ILE 431 HG12 0.01 -0.07 -0.07 -0.04 1.49 1.32 1dy7A1 ILE 431 HG13 0.02 0.24 -0.06 -0.04 1.21 1.38 1dy7A1 ILE 431 HG23 -0.02 -0.00 -0.04 -0.04 0.93 0.84 1dy7A1 ILE 431 HD13 0.05 -0.02 -0.24 -0.04 0.88 0.63 1dy7A1 LEU 432 H -0.20 0.60 0.37 -0.55 8.37 8.59 1dy7A1 LEU 432 HA -0.32 0.17 0.75 -0.75 4.35 4.20 1dy7A1 LEU 432 HB2 -0.74 -0.07 -0.05 -0.04 1.64 0.74 1dy7A1 LEU 432 HB3 -1.77 -0.03 0.00 -0.04 1.64 -0.20 1dy7A1 LEU 432 HG -0.33 0.22 -0.01 -0.04 1.64 1.47 1dy7A1 LEU 432 HD13 -0.51 -0.03 -0.08 -0.04 0.93 0.27 1dy7A1 LEU 432 HD23 -0.35 0.02 -0.05 -0.04 0.89 0.47 1dy7A1 ASP 433 H -0.11 0.24 0.20 -0.55 8.40 8.18 1dy7A1 ASP 433 HA 0.07 0.15 0.41 -0.75 4.63 4.50 1dy7A1 ASP 433 HB2 0.25 0.06 -0.28 -0.04 2.71 2.70 1dy7A1 ASP 433 HB3 0.31 -0.06 -0.09 -0.04 2.70 2.82 1dy7A1 SER 434 H 0.13 0.33 0.13 -0.55 8.46 8.50 1dy7A1 SER 434 HA -0.19 0.37 0.84 -0.75 4.49 4.76 1dy7A1 SER 434 HB2 -0.04 0.08 -0.04 -0.04 3.95 3.91 1dy7A1 SER 434 HB3 0.00 -0.03 0.03 -0.04 3.93 3.89 1dy7A1 PHE 435 H -0.50 0.50 0.32 -0.55 8.34 8.10 1dy7A1 PHE 435 HA 0.06 0.15 0.66 -0.75 4.62 4.74 1dy7A1 PHE 435 HB2 0.11 0.09 0.11 -0.04 3.15 3.42 1dy7A1 PHE 435 HB3 0.07 0.10 -0.05 -0.04 3.06 3.13 1dy7A1 PHE 435 HD2 -0.02 0.08 -0.32 -0.04 7.28 6.99 1dy7A1 PHE 435 HE2 -0.70 -0.03 -0.19 -0.04 7.38 6.42 1dy7A1 PHE 435 HZ -0.21 -0.03 -0.19 -0.04 7.32 6.85 1dy7A1 PRO 436 HA 0.13 0.14 0.49 -0.51 4.44 4.68 1dy7A1 PRO 436 HB2 0.21 0.18 -0.09 -0.04 2.28 2.54 1dy7A1 PRO 436 HB3 0.13 -0.08 -0.02 -0.04 2.02 2.00 1dy7A1 PRO 436 HG2 0.28 0.08 0.05 -0.04 2.03 2.40 1dy7A1 PRO 436 HG3 0.16 0.01 0.04 -0.04 2.03 2.20 1dy7A1 PRO 436 HD2 0.32 0.10 0.22 -0.04 3.68 4.27 1dy7A1 PRO 436 HD3 0.19 0.12 0.15 -0.04 3.65 4.07 1dy7A1 ALA 437 H 0.09 0.52 0.20 -0.55 8.40 8.66 1dy7A1 ALA 437 HA -0.27 0.17 0.72 -0.75 4.34 4.21 1dy7A1 ALA 437 HB3 0.05 -0.00 0.08 -0.04 1.41 1.49 1dy7A1 LEU 438 H -0.27 0.14 0.11 -0.55 8.37 7.81 1dy7A1 LEU 438 HA -0.03 0.09 0.35 -0.75 4.35 4.00 1dy7A1 LEU 438 HB2 -0.12 0.02 0.06 -0.04 1.64 1.56 1dy7A1 LEU 438 HB3 -0.05 0.03 -0.19 -0.04 1.64 1.39 1dy7A1 LEU 438 HG -0.21 -0.07 -0.12 -0.04 1.64 1.21 1dy7A1 LEU 438 HD13 -0.08 0.01 -0.21 -0.04 0.93 0.61 1dy7A1 LEU 438 HD23 0.10 -0.01 -0.06 -0.04 0.89 0.88 1dy7A1 GLY 439 H -0.02 0.30 0.04 -0.55 8.43 8.20 1dy7A1 GLY 439 HA2 0.02 -0.01 0.23 -0.51 4.01 3.74 1dy7A1 GLY 439 HA3 0.00 0.09 0.49 -0.51 4.01 4.09 1dy7A1 GLY 440 H 0.01 0.07 0.02 -0.55 8.43 7.98 1dy7A1 GLY 440 HA2 0.01 0.28 0.15 -0.51 4.01 3.94 1dy7A1 GLY 440 HA3 0.00 0.04 0.13 -0.51 4.01 3.67 1dy7A1 GLY 441 H 0.00 0.49 0.19 -0.55 8.43 8.56 1dy7A1 GLY 441 HA2 -0.02 0.10 0.32 -0.51 4.01 3.90 1dy7A1 GLY 441 HA3 -0.01 0.01 0.25 -0.51 4.01 3.75 1dy7A1 SER 442 H 0.00 0.33 0.08 -0.55 8.46 8.33 1dy7A1 SER 442 HA 0.00 -0.11 0.31 -0.75 4.49 3.94 1dy7A1 SER 442 HB2 0.02 0.14 0.15 -0.04 3.95 4.22 1dy7A1 SER 442 HB3 0.02 0.02 0.04 -0.04 3.93 3.96 1dy7A1 LEU 443 H -0.03 -0.09 0.18 -0.55 8.37 7.88 1dy7A1 LEU 443 HA -0.44 0.27 1.00 -0.75 4.35 4.43 1dy7A1 LEU 443 HB2 -0.15 -0.10 0.12 -0.04 1.64 1.48 1dy7A1 LEU 443 HB3 -1.02 0.01 -0.01 -0.04 1.64 0.58 1dy7A1 LEU 443 HG -0.13 0.03 -0.18 -0.04 1.64 1.32 1dy7A1 LEU 443 HD13 0.08 0.01 -0.01 -0.04 0.93 0.97 1dy7A1 LEU 443 HD23 -0.63 0.04 -0.03 -0.04 0.89 0.22 1dy7A1 PHE 444 H 0.10 -0.05 0.26 -0.55 8.34 8.10 1dy7A1 PHE 444 HA 0.12 0.31 0.98 -0.75 4.62 5.27 1dy7A1 PHE 444 HB2 0.12 -0.24 0.19 -0.04 3.15 3.18 1dy7A1 PHE 444 HB3 0.09 0.18 0.09 -0.04 3.06 3.37 1dy7A1 PHE 444 HD2 0.10 -0.08 0.10 -0.04 7.28 7.36 1dy7A1 PHE 444 HE2 0.11 -0.02 0.04 -0.04 7.38 7.48 1dy7A1 PHE 444 HZ 0.16 0.03 0.03 -0.04 7.32 7.50 1dy7A1 ILE 445 H 0.18 0.35 0.26 -0.55 8.25 8.50 1dy7A1 ILE 445 HA 0.20 0.35 1.07 -0.75 4.18 5.04 1dy7A1 ILE 445 HB 0.03 -0.12 -0.07 -0.04 1.89 1.69 1dy7A1 ILE 445 HG12 0.10 -0.01 -0.15 -0.04 1.49 1.39 1dy7A1 ILE 445 HG13 0.15 0.18 0.01 -0.04 1.21 1.50 1dy7A1 ILE 445 HG23 -0.11 0.03 -0.07 -0.04 0.93 0.73 1dy7A1 ILE 445 HD13 -0.01 -0.02 -0.30 -0.04 0.88 0.51 1dy7A1 LYS 446 H 0.29 0.51 0.35 -0.55 8.42 9.02 1dy7A1 LYS 446 HA 0.23 0.24 0.86 -0.75 4.32 4.90 1dy7A1 LYS 446 HB2 0.20 -0.05 -0.34 -0.04 1.87 1.64 1dy7A1 LYS 446 HB3 0.28 -0.13 -0.08 -0.04 1.79 1.81 1dy7A1 LYS 446 HG2 0.17 -0.14 -0.30 -0.04 1.46 1.15 1dy7A1 LYS 446 HG3 0.48 0.08 0.04 -0.04 1.46 2.02 1dy7A1 LYS 446 HD2 0.20 0.17 0.32 -0.04 1.69 2.34 1dy7A1 LYS 446 HD3 0.10 0.10 0.13 -0.04 1.68 1.98 1dy7A1 LYS 446 HE2 0.24 -0.21 0.17 -0.04 2.99 3.15 1dy7A1 LYS 446 HE3 0.29 0.11 0.25 -0.04 2.99 3.59 1dy7A1 THR 447 H 0.28 0.42 0.31 -0.55 8.28 8.74 1dy7A1 THR 447 HA 0.47 0.11 0.57 -0.75 4.39 4.79 1dy7A1 THR 447 HB 0.19 -0.05 -0.14 -0.04 4.32 4.29 1dy7A1 THR 447 HG23 0.20 -0.03 -0.21 -0.04 1.22 1.13 1dy7A1 HIS 448 H -0.04 0.36 0.26 -0.55 8.41 8.43 1dy7A1 HIS 448 HA -0.19 0.18 0.60 -0.75 4.63 4.47 1dy7A1 HIS 448 HB2 -1.77 0.06 -0.11 -0.04 3.26 1.39 1dy7A1 HIS 448 HB3 -0.82 -0.05 0.04 -0.04 3.20 2.33 1dy7A1 HIS 448 HD2 -0.09 0.06 0.07 -0.04 6.97 6.96 1dy7A1 HIS 448 HE1 0.01 0.07 -0.08 -0.04 7.75 7.70 1dy7A1 PRO 449 HA -0.01 0.09 0.46 -0.51 4.44 4.47 1dy7A1 PRO 449 HB2 -0.08 0.02 0.05 -0.04 2.28 2.23 1dy7A1 PRO 449 HB3 -0.03 0.04 0.10 -0.04 2.02 2.08 1dy7A1 PRO 449 HG2 -0.22 0.06 0.09 -0.04 2.03 1.92 1dy7A1 PRO 449 HG3 -0.13 0.05 0.10 -0.04 2.03 2.00 1dy7A1 PRO 449 HD2 -1.65 0.12 0.19 -0.04 3.68 2.30 1dy7A1 PRO 449 HD3 -0.43 0.14 0.16 -0.04 3.65 3.48 1dy7A1 ASN 450 H 0.70 0.05 -0.26 -0.55 8.53 8.47 1dy7A1 ASN 450 HA 0.10 0.16 0.78 -0.75 4.76 5.05 1dy7A1 ASN 450 HB2 0.09 0.02 0.08 -0.04 2.88 3.03 1dy7A1 ASN 450 HB3 0.08 -0.02 0.11 -0.04 2.79 2.92 1dy7A1 ASN 450 HD21 0.12 -0.08 -0.01 -0.04 7.03 7.02 1dy7A1 ASN 450 HD22 0.06 0.46 0.04 -0.04 7.74 8.25 1dy7A1 SER 451 H 0.10 0.43 -0.15 -0.55 8.46 8.30 1dy7A1 SER 451 HA 0.14 0.13 0.85 -0.75 4.49 4.86 1dy7A1 SER 451 HB2 0.28 0.04 0.04 -0.04 3.95 4.26 1dy7A1 SER 451 HB3 0.12 0.02 0.21 -0.04 3.93 4.24 1dy7A1 GLN 452 H -0.13 0.19 0.14 -0.55 8.47 8.12 1dy7A1 GLN 452 HA -0.13 0.25 0.86 -0.75 4.36 4.59 1dy7A1 GLN 452 HB2 -0.27 -0.16 0.22 -0.04 2.15 1.90 1dy7A1 GLN 452 HB3 -0.19 0.08 0.07 -0.04 2.02 1.94 1dy7A1 GLN 452 HG2 -0.75 0.06 0.05 -0.04 2.40 1.72 1dy7A1 GLN 452 HG3 -1.50 -0.05 -0.16 -0.04 2.39 0.64 1dy7A1 GLN 452 HE21 -0.09 0.04 0.01 -0.04 6.97 6.89 1dy7A1 GLN 452 HE22 -0.25 -0.17 0.03 -0.04 7.69 7.26 1dy7A1 TYR 453 H 0.10 0.08 -0.16 -0.55 8.29 7.76 1dy7A1 TYR 453 HA -0.05 0.33 1.19 -0.75 4.56 5.28 1dy7A1 TYR 453 HB2 0.11 -0.05 -0.01 -0.04 3.06 3.07 1dy7A1 TYR 453 HB3 -0.42 0.02 -0.11 -0.04 2.98 2.42 1dy7A1 TYR 453 HD2 0.06 0.10 -0.15 -0.04 7.15 7.12 1dy7A1 TYR 453 HE2 0.04 0.09 -0.05 -0.04 6.85 6.88 1dy7A1 LEU 454 H 0.10 0.55 0.28 -0.55 8.37 8.76 1dy7A1 LEU 454 HA 0.19 0.28 0.87 -0.75 4.35 4.94 1dy7A1 LEU 454 HB2 -0.22 0.00 -0.14 -0.04 1.64 1.24 1dy7A1 LEU 454 HB3 0.14 -0.08 0.10 -0.04 1.64 1.76 1dy7A1 LEU 454 HG 0.17 0.01 -0.27 -0.04 1.64 1.52 1dy7A1 LEU 454 HD13 0.09 0.03 -0.19 -0.04 0.93 0.82 1dy7A1 LEU 454 HD23 0.01 -0.01 -0.18 -0.04 0.89 0.66 1dy7A1 TYR 455 H 0.53 0.72 0.33 -0.55 8.29 9.32 1dy7A1 TYR 455 HA 0.19 0.34 1.00 -0.75 4.56 5.34 1dy7A1 TYR 455 HB2 0.30 -0.03 0.13 -0.04 3.06 3.42 1dy7A1 TYR 455 HB3 0.38 -0.02 -0.03 -0.04 2.98 3.26 1dy7A1 TYR 455 HD2 0.32 0.15 -0.12 -0.04 7.15 7.45 1dy7A1 TYR 455 HE2 0.34 0.00 -0.16 -0.04 6.85 6.99 1dy7A1 VAL 456 H 0.17 0.68 0.36 -0.55 8.24 8.91 1dy7A1 VAL 456 HA 0.20 0.23 1.14 -0.75 4.13 4.95 1dy7A1 VAL 456 HB 0.10 -0.10 0.21 -0.04 2.12 2.29 1dy7A1 VAL 456 HG13 0.08 0.05 -0.03 -0.04 0.97 1.03 1dy7A1 VAL 456 HG23 0.27 0.02 -0.27 -0.04 0.95 0.92 1dy7A1 ASP 457 H 0.18 0.43 0.35 -0.55 8.40 8.82 1dy7A1 ASP 457 HA 0.02 0.24 0.83 -0.75 4.63 4.97 1dy7A1 ASP 457 HB2 0.11 0.18 0.24 -0.04 2.71 3.20 1dy7A1 ASP 457 HB3 0.21 -0.01 0.08 -0.04 2.70 2.94 1dy7A1 ALA 458 H 0.03 0.35 0.20 -0.55 8.40 8.43 1dy7A1 ALA 458 HA 0.01 0.06 0.29 -0.75 4.34 3.94 1dy7A1 ALA 458 HB3 -0.02 0.08 -0.11 -0.04 1.41 1.32 1dy7A1 THR 459 H 0.06 -0.09 0.17 -0.55 8.28 7.88 1dy7A1 THR 459 HA 0.08 0.19 0.46 -0.75 4.39 4.37 1dy7A1 THR 459 HB 0.10 -0.02 0.15 -0.04 4.32 4.51 1dy7A1 THR 459 HG23 0.30 0.01 -0.12 -0.04 1.22 1.36 1dy7A1 LEU 460 H 0.01 0.62 0.03 -0.55 8.37 8.48 1dy7A1 LEU 460 HA -0.00 0.16 0.65 -0.75 4.35 4.40 1dy7A1 LEU 460 HB2 -0.02 -0.04 0.11 -0.04 1.64 1.65 1dy7A1 LEU 460 HB3 -0.01 -0.04 0.14 -0.04 1.64 1.70 1dy7A1 LEU 460 HG 0.02 -0.02 -0.02 -0.04 1.64 1.57 1dy7A1 LEU 460 HD13 -0.02 -0.01 -0.02 -0.04 0.93 0.83 1dy7A1 LEU 460 HD23 0.08 0.02 -0.10 -0.04 0.89 0.85 1dy7A1 ASN 461 H -0.01 0.51 -0.22 -0.55 8.53 8.27 1dy7A1 ASN 461 HA -0.01 -0.01 0.34 -0.75 4.76 4.32 1dy7A1 ASN 461 HB2 -0.01 0.24 0.09 -0.04 2.88 3.16 1dy7A1 ASN 461 HB3 -0.02 -0.07 0.02 -0.04 2.79 2.69 1dy7A1 ASN 461 HD21 -0.00 -0.14 0.05 -0.04 7.03 6.89 1dy7A1 ASN 461 HD22 -0.00 0.51 -0.03 -0.04 7.74 8.18 1dy7A1 PRO 462 HA -0.03 0.16 0.46 -0.51 4.44 4.52 1dy7A1 PRO 462 HB2 -0.02 -0.03 -0.02 -0.04 2.28 2.17 1dy7A1 PRO 462 HB3 -0.02 0.04 0.12 -0.04 2.02 2.12 1dy7A1 PRO 462 HG2 -0.01 -0.04 0.07 -0.04 2.03 2.01 1dy7A1 PRO 462 HG3 -0.01 0.03 0.08 -0.04 2.03 2.09 1dy7A1 PRO 462 HD2 -0.01 0.02 0.20 -0.04 3.68 3.85 1dy7A1 PRO 462 HD3 -0.01 0.21 0.20 -0.04 3.65 4.01 1dy7A1 GLU 463 H -0.02 0.08 -0.24 -0.55 8.60 7.88 1dy7A1 GLU 463 HA -0.02 0.11 0.68 -0.75 4.29 4.31 1dy7A1 GLU 463 HB2 -0.01 0.05 0.07 -0.04 2.09 2.16 1dy7A1 GLU 463 HB3 -0.02 -0.03 0.11 -0.04 1.99 2.01 1dy7A1 GLU 463 HG2 -0.02 -0.22 -0.12 -0.04 2.34 1.94 1dy7A1 GLU 463 HG3 -0.02 0.05 0.05 -0.04 2.34 2.38 1dy7A1 ALA 464 H -0.03 0.20 0.17 -0.55 8.40 8.19 1dy7A1 ALA 464 HA -0.04 0.20 0.23 -0.75 4.34 3.98 1dy7A1 ALA 464 HB3 -0.04 0.03 0.10 -0.04 1.41 1.45 1dy7A1 GLU 465 H -0.03 0.05 -0.20 -0.55 8.60 7.87 1dy7A1 GLU 465 HA -0.05 0.09 0.30 -0.75 4.29 3.88 1dy7A1 GLU 465 HB2 -0.03 -0.01 0.04 -0.04 2.09 2.05 1dy7A1 GLU 465 HB3 -0.03 -0.02 -0.04 -0.04 1.99 1.86 1dy7A1 GLU 465 HG2 -0.03 0.02 -0.14 -0.04 2.34 2.14 1dy7A1 GLU 465 HG3 -0.05 0.01 0.04 -0.04 2.34 2.30 1dy7A1 ILE 466 H -0.03 0.20 -0.38 -0.55 8.25 7.49 1dy7A1 ILE 466 HA -0.04 0.10 0.66 -0.75 4.18 4.15 1dy7A1 ILE 466 HB -0.02 0.03 0.10 -0.04 1.89 1.97 1dy7A1 ILE 466 HG12 -0.01 0.07 -0.06 -0.04 1.49 1.45 1dy7A1 ILE 466 HG13 -0.02 -0.14 -0.12 -0.04 1.21 0.89 1dy7A1 ILE 466 HG23 -0.02 0.01 -0.19 -0.04 0.93 0.69 1dy7A1 ILE 466 HD13 0.00 -0.00 0.02 -0.04 0.88 0.86 1dy7A1 SER 467 H -0.03 0.54 0.03 -0.55 8.46 8.45 1dy7A1 SER 467 HA -0.02 0.12 0.27 -0.75 4.49 4.11 1dy7A1 SER 467 HB2 -0.01 0.04 0.15 -0.04 3.95 4.08 1dy7A1 SER 467 HB3 -0.02 0.17 0.04 -0.04 3.93 4.07 1dy7A1 GLY 468 H -0.05 0.43 -0.37 -0.55 8.43 7.89 1dy7A1 GLY 468 HA2 -0.05 0.07 0.75 -0.51 4.01 4.27 1dy7A1 GLY 468 HA3 -0.07 0.01 0.31 -0.51 4.01 3.76 1dy7A1 SER 469 H -0.09 0.58 -0.33 -0.55 8.46 8.07 1dy7A1 SER 469 HA -0.23 0.01 1.13 -0.75 4.49 4.65 1dy7A1 SER 469 HB2 -0.11 0.08 0.03 -0.04 3.95 3.91 1dy7A1 SER 469 HB3 -0.17 -0.06 0.04 -0.04 3.93 3.70 1dy7A1 VAL 470 H -0.25 0.45 0.35 -0.55 8.24 8.23 1dy7A1 VAL 470 HA -0.13 0.22 0.94 -0.75 4.13 4.40 1dy7A1 VAL 470 HB -0.38 -0.06 0.02 -0.04 2.12 1.66 1dy7A1 VAL 470 HG13 0.02 0.01 -0.26 -0.04 0.97 0.70 1dy7A1 VAL 470 HG23 -0.61 -0.02 -0.27 -0.04 0.95 0.01 1dy7A1 ALA 471 H -0.11 0.66 0.38 -0.55 8.40 8.78 1dy7A1 ALA 471 HA -0.16 0.25 0.89 -0.75 4.34 4.56 1dy7A1 ALA 471 HB3 -0.65 -0.01 0.12 -0.04 1.41 0.82 1dy7A1 VAL 472 H -0.16 0.61 0.33 -0.55 8.24 8.47 1dy7A1 VAL 472 HA -0.15 0.35 1.10 -0.75 4.13 4.67 1dy7A1 VAL 472 HB -0.25 -0.06 0.10 -0.04 2.12 1.87 1dy7A1 VAL 472 HG13 -0.65 -0.00 -0.23 -0.04 0.97 0.05 1dy7A1 VAL 472 HG23 -0.13 0.01 -0.27 -0.04 0.95 0.52 1dy7A1 PHE 473 H 0.21 0.69 0.30 -0.55 8.34 8.99 1dy7A1 PHE 473 HA 0.08 0.22 0.88 -0.75 4.62 5.04 1dy7A1 PHE 473 HB2 0.03 -0.06 0.04 -0.04 3.15 3.12 1dy7A1 PHE 473 HB3 -0.01 0.03 -0.11 -0.04 3.06 2.94 1dy7A1 PHE 473 HD2 0.04 0.10 -0.18 -0.04 7.28 7.20 1dy7A1 PHE 473 HE2 0.14 0.10 -0.18 -0.04 7.38 7.40 1dy7A1 PHE 473 HZ 0.12 0.16 -0.17 -0.04 7.32 7.39 1dy7A1 ASP 474 H 0.16 0.26 0.16 -0.55 8.40 8.43 1dy7A1 ASP 474 HA 0.11 0.21 0.81 -0.75 4.63 5.01 1dy7A1 ASP 474 HB2 0.21 0.06 0.07 -0.04 2.71 3.01 1dy7A1 ASP 474 HB3 0.07 -0.01 0.20 -0.04 2.70 2.91 1dy7A1 ILE 475 H -0.12 0.78 0.36 -0.55 8.25 8.73 1dy7A1 ILE 475 HA -0.14 -0.01 0.29 -0.75 4.18 3.57 1dy7A1 ILE 475 HB -0.17 0.06 0.08 -0.04 1.89 1.82 1dy7A1 ILE 475 HG12 -0.93 -0.05 -0.17 -0.04 1.49 0.30 1dy7A1 ILE 475 HG13 -0.27 0.00 -0.17 -0.04 1.21 0.74 1dy7A1 ILE 475 HG23 -0.02 -0.01 -0.14 -0.04 0.93 0.72 1dy7A1 ILE 475 HD13 -0.36 -0.01 -0.37 -0.04 0.88 0.10 1dy7A1 LYS 476 H -0.12 0.13 -0.09 -0.55 8.42 7.79 1dy7A1 LYS 476 HA -0.07 0.12 0.39 -0.75 4.32 4.01 1dy7A1 LYS 476 HB2 -0.08 -0.04 0.06 -0.04 1.87 1.76 1dy7A1 LYS 476 HB3 -0.05 0.03 0.03 -0.04 1.79 1.76 1dy7A1 LYS 476 HG2 -0.06 0.05 0.05 -0.04 1.46 1.47 1dy7A1 LYS 476 HG3 -0.11 -0.04 0.10 -0.04 1.46 1.37 1dy7A1 LYS 476 HD2 -0.06 -0.01 0.02 -0.04 1.69 1.59 1dy7A1 LYS 476 HD3 -0.04 0.01 0.02 -0.04 1.68 1.63 1dy7A1 LYS 476 HE2 -0.03 0.03 0.00 -0.04 2.99 2.95 1dy7A1 LYS 476 HE3 -0.06 -0.01 0.01 -0.04 2.99 2.88 1dy7A1 ALA 477 H -0.05 0.19 -0.38 -0.55 8.40 7.61 1dy7A1 ALA 477 HA -0.04 0.12 0.55 -0.75 4.34 4.22 1dy7A1 ALA 477 HB3 -0.01 -0.00 0.07 -0.04 1.41 1.42 1dy7A1 MET 478 H -0.12 0.43 -0.28 -0.55 8.47 7.95 1dy7A1 MET 478 HA -0.09 -0.05 0.51 -0.75 4.52 4.14 1dy7A1 MET 478 HB2 -0.39 0.17 0.16 -0.04 2.15 2.04 1dy7A1 MET 478 HB3 -0.17 -0.14 0.01 -0.04 2.03 1.69 1dy7A1 MET 478 HG2 -0.12 -0.05 -0.03 -0.04 2.63 2.39 1dy7A1 MET 478 HG3 -0.09 0.16 -0.02 -0.04 2.56 2.58 1dy7A1 MET 478 HE3 -0.09 -0.01 -0.25 -0.04 2.10 1.71 1dy7A1 THR 479 H -0.04 -0.02 0.23 -0.55 8.28 7.90 1dy7A1 THR 479 HA -0.08 0.30 0.90 -0.75 4.39 4.76 1dy7A1 THR 479 HB -0.03 0.04 0.02 -0.04 4.32 4.31 1dy7A1 THR 479 HG23 -0.03 0.07 -0.07 -0.04 1.22 1.14 1dy7A1 GLY 480 H 0.06 -0.01 0.12 -0.55 8.43 8.05 1dy7A1 GLY 480 HA2 0.15 0.03 0.30 -0.51 4.01 3.97 1dy7A1 GLY 480 HA3 -0.47 0.11 0.35 -0.51 4.01 3.50 1dy7A1 ASP 481 H 0.03 -0.03 -0.11 -0.55 8.40 7.74 1dy7A1 ASP 481 HA 0.04 0.27 0.59 -0.75 4.63 4.78 1dy7A1 ASP 481 HB2 0.02 0.05 0.11 -0.04 2.71 2.85 1dy7A1 ASP 481 HB3 0.01 0.06 -0.05 -0.04 2.70 2.68 1dy7A1 GLY 482 H 0.11 0.02 -0.23 -0.55 8.43 7.78 1dy7A1 GLY 482 HA2 0.11 0.05 0.29 -0.51 4.01 3.94 1dy7A1 GLY 482 HA3 0.07 0.18 0.67 -0.51 4.01 4.42 1dy7A1 SER 483 H 0.05 -0.09 -0.30 -0.55 8.46 7.58 1dy7A1 SER 483 HA 0.05 0.14 0.53 -0.75 4.49 4.46 1dy7A1 SER 483 HB2 0.03 0.02 0.06 -0.04 3.95 4.01 1dy7A1 SER 483 HB3 0.03 0.02 -0.00 -0.04 3.93 3.94 1dy7A1 ASP 484 H 0.05 0.12 0.09 -0.55 8.40 8.12 1dy7A1 ASP 484 HA 0.09 0.19 0.78 -0.75 4.63 4.95 1dy7A1 ASP 484 HB2 0.09 -0.06 0.17 -0.04 2.71 2.87 1dy7A1 ASP 484 HB3 0.19 0.13 0.08 -0.04 2.70 3.06 1dy7A1 PRO 485 HA -0.03 -0.03 0.45 -0.51 4.44 4.33 1dy7A1 PRO 485 HB2 -0.01 0.08 -0.09 -0.04 2.28 2.22 1dy7A1 PRO 485 HB3 -0.12 -0.01 0.04 -0.04 2.02 1.89 1dy7A1 PRO 485 HG2 -1.84 0.03 -0.02 -0.04 2.03 0.16 1dy7A1 PRO 485 HG3 -0.43 -0.08 0.03 -0.04 2.03 1.51 1dy7A1 PRO 485 HD2 -0.51 0.10 0.16 -0.04 3.68 3.38 1dy7A1 PRO 485 HD3 -0.21 0.32 0.22 -0.04 3.65 3.94 1dy7A1 GLU 486 H 0.02 0.03 0.17 -0.55 8.60 8.27 1dy7A1 GLU 486 HA -0.06 0.15 0.60 -0.75 4.29 4.23 1dy7A1 GLU 486 HB2 -0.04 -0.06 0.04 -0.04 2.09 1.99 1dy7A1 GLU 486 HB3 -0.15 0.05 0.06 -0.04 1.99 1.91 1dy7A1 GLU 486 HG2 -0.07 0.05 0.05 -0.04 2.34 2.32 1dy7A1 GLU 486 HG3 -0.03 -0.02 0.08 -0.04 2.34 2.33 1dy7A1 PHE 487 H -0.60 0.24 0.18 -0.55 8.34 7.61 1dy7A1 PHE 487 HA -0.35 0.21 0.88 -0.75 4.62 4.61 1dy7A1 PHE 487 HB2 -0.73 -0.09 -0.06 -0.04 3.15 2.23 1dy7A1 PHE 487 HB3 -1.78 0.04 -0.27 -0.04 3.06 1.01 1dy7A1 PHE 487 HD2 -0.17 0.14 -0.32 -0.04 7.28 6.89 1dy7A1 PHE 487 HE2 -0.01 0.05 -0.17 -0.04 7.38 7.21 1dy7A1 PHE 487 HZ -0.02 0.07 -0.21 -0.04 7.32 7.12 1dy7A1 LYS 488 H -0.09 0.64 0.35 -0.55 8.42 8.76 1dy7A1 LYS 488 HA -0.11 0.12 0.78 -0.75 4.32 4.36 1dy7A1 LYS 488 HB2 -0.08 -0.00 0.07 -0.04 1.87 1.81 1dy7A1 LYS 488 HB3 -0.12 -0.02 0.09 -0.04 1.79 1.70 1dy7A1 LYS 488 HG2 -0.07 0.06 -0.21 -0.04 1.46 1.20 1dy7A1 LYS 488 HG3 -0.06 -0.02 0.06 -0.04 1.46 1.40 1dy7A1 LYS 488 HD2 -0.06 -0.02 -0.03 -0.04 1.69 1.53 1dy7A1 LYS 488 HD3 -0.07 -0.01 -0.07 -0.04 1.68 1.49 1dy7A1 LYS 488 HE2 0.04 0.04 -0.01 -0.04 2.99 3.01 1dy7A1 LYS 488 HE3 -0.00 -0.04 0.00 -0.04 2.99 2.91 1dy7A1 THR 489 H -0.06 0.19 0.14 -0.55 8.28 8.00 1dy7A1 THR 489 HA -0.02 0.28 0.97 -0.75 4.39 4.87 1dy7A1 THR 489 HB -0.05 -0.03 0.14 -0.04 4.32 4.34 1dy7A1 THR 489 HG23 -0.07 -0.01 -0.16 -0.04 1.22 0.94 1dy7A1 LEU 490 H -0.19 0.69 0.29 -0.55 8.37 8.61 1dy7A1 LEU 490 HA -0.43 0.22 0.84 -0.75 4.35 4.22 1dy7A1 LEU 490 HB2 -0.35 -0.10 0.09 -0.04 1.64 1.24 1dy7A1 LEU 490 HB3 -0.67 0.01 -0.09 -0.04 1.64 0.85 1dy7A1 LEU 490 HG -0.11 0.03 -0.14 -0.04 1.64 1.39 1dy7A1 LEU 490 HD13 0.16 -0.02 -0.16 -0.04 0.93 0.88 1dy7A1 LEU 490 HD23 0.01 0.03 -0.13 -0.04 0.89 0.76 1dy7A1 PRO 491 HA -0.38 0.18 0.50 -0.51 4.44 4.22 1dy7A1 PRO 491 HB2 -0.36 -0.07 0.16 -0.04 2.28 1.98 1dy7A1 PRO 491 HB3 -0.29 0.08 0.04 -0.04 2.02 1.81 1dy7A1 PRO 491 HG2 -1.29 -0.02 0.07 -0.04 2.03 0.75 1dy7A1 PRO 491 HG3 -0.28 0.07 0.07 -0.04 2.03 1.85 1dy7A1 PRO 491 HD2 -1.46 0.09 0.11 -0.04 3.68 2.38 1dy7A1 PRO 491 HD3 -0.42 0.34 0.24 -0.04 3.65 3.77 1dy7A1 ILE 492 H -0.47 0.43 0.04 -0.55 8.25 7.70 1dy7A1 ILE 492 HA -0.27 -0.01 0.23 -0.75 4.18 3.38 1dy7A1 ILE 492 HB -0.24 0.12 -0.02 -0.04 1.89 1.71 1dy7A1 ILE 492 HG12 -0.47 0.10 -0.07 -0.04 1.49 1.01 1dy7A1 ILE 492 HG13 -0.68 -0.01 -0.16 -0.04 1.21 0.33 1dy7A1 ILE 492 HG23 -0.02 -0.01 -0.26 -0.04 0.93 0.60 1dy7A1 ILE 492 HD13 -0.20 -0.01 -0.21 -0.04 0.88 0.42 1dy7A1 ALA 493 H -0.15 0.71 0.04 -0.55 8.40 8.45 1dy7A1 ALA 493 HA -0.01 0.04 0.27 -0.75 4.34 3.88 1dy7A1 ALA 493 HB3 -0.04 0.02 0.03 -0.04 1.41 1.38 1dy7A1 GLU 494 H -0.13 0.12 -0.28 -0.55 8.60 7.75 1dy7A1 GLU 494 HA -0.01 0.05 0.38 -0.75 4.29 3.95 1dy7A1 GLU 494 HB2 -0.08 -0.03 0.07 -0.04 2.09 2.00 1dy7A1 GLU 494 HB3 -0.16 0.15 0.11 -0.04 1.99 2.04 1dy7A1 GLU 494 HG2 0.10 0.02 -0.22 -0.04 2.34 2.20 1dy7A1 GLU 494 HG3 0.02 -0.02 0.01 -0.04 2.34 2.31 1dy7A1 TRP 495 H -0.00 0.58 -0.15 -0.55 7.97 7.86 1dy7A1 TRP 495 HA -0.06 -0.01 0.36 -0.75 4.62 4.16 1dy7A1 TRP 495 HB2 -0.07 0.15 0.06 -0.04 3.23 3.33 1dy7A1 TRP 495 HB3 -0.08 -0.08 -0.05 -0.04 3.23 2.99 1dy7A1 TRP 495 HD1 -0.05 -0.01 -0.09 -0.04 7.22 7.04 1dy7A1 TRP 495 HE1 -0.04 -0.01 -0.00 -0.04 10.20 10.11 1dy7A1 TRP 495 HE3 -0.06 0.02 -0.18 -0.04 7.59 7.33 1dy7A1 TRP 495 HZ2 -0.04 0.04 0.04 -0.04 7.44 7.44 1dy7A1 TRP 495 HZ3 -0.02 -0.02 -0.29 -0.04 7.13 6.76 1dy7A1 TRP 495 HH2 -0.03 0.32 -0.04 -0.04 7.19 7.40 1dy7A1 ALA 496 H 0.10 0.34 -0.44 -0.55 8.40 7.86 1dy7A1 ALA 496 HA 0.01 0.00 0.39 -0.75 4.34 3.99 1dy7A1 ALA 496 HB3 0.02 0.01 -0.07 -0.04 1.41 1.34 1dy7A1 GLY 497 H 0.05 0.38 -0.46 -0.55 8.43 7.85 1dy7A1 GLY 497 HA2 0.01 0.02 0.27 -0.51 4.01 3.81 1dy7A1 GLY 497 HA3 0.00 -0.02 0.31 -0.51 4.01 3.79 1dy7A1 ILE 498 H 0.00 0.23 -0.09 -0.55 8.25 7.84 1dy7A1 ILE 498 HA -0.00 0.07 0.91 -0.75 4.18 4.41 1dy7A1 ILE 498 HB 0.00 -0.00 -0.01 -0.04 1.89 1.84 1dy7A1 ILE 498 HG12 0.00 -0.01 -0.23 -0.04 1.49 1.21 1dy7A1 ILE 498 HG13 0.00 0.02 -0.67 -0.04 1.21 0.53 1dy7A1 ILE 498 HG23 0.00 0.01 -0.10 -0.04 0.93 0.80 1dy7A1 ILE 498 HD13 0.02 0.06 -0.28 -0.04 0.88 0.64 1dy7A1 THR 499 H -0.00 0.14 0.10 -0.55 8.28 7.96 1dy7A1 THR 499 HA -0.01 0.11 0.43 -0.75 4.39 4.17 1dy7A1 THR 499 HB -0.01 -0.06 0.12 -0.04 4.32 4.34 1dy7A1 THR 499 HG23 -0.01 -0.01 -0.15 -0.04 1.22 1.01 1dy7A1 GLU 500 H -0.01 0.01 0.01 -0.55 8.60 8.07 1dy7A1 GLU 500 HA -0.01 0.13 0.71 -0.75 4.29 4.37 1dy7A1 GLU 500 HB2 -0.00 -0.02 0.09 -0.04 2.09 2.12 1dy7A1 GLU 500 HB3 -0.01 -0.04 0.04 -0.04 1.99 1.94 1dy7A1 GLU 500 HG2 -0.01 -0.04 0.02 -0.04 2.34 2.26 1dy7A1 GLU 500 HG3 -0.01 0.02 0.06 -0.04 2.34 2.37 1dy7A1 GLY 501 H -0.02 0.06 0.15 -0.55 8.43 8.08 1dy7A1 GLY 501 HA2 -0.03 -0.02 0.29 -0.51 4.01 3.74 1dy7A1 GLY 501 HA3 -0.03 -0.02 0.42 -0.51 4.01 3.86 1dy7A1 GLN 502 H -0.06 0.07 0.01 -0.55 8.47 7.95 1dy7A1 GLN 502 HA -0.04 0.20 0.67 -0.75 4.36 4.44 1dy7A1 GLN 502 HB2 -0.06 -0.04 0.16 -0.04 2.15 2.17 1dy7A1 GLN 502 HB3 -0.05 0.02 0.12 -0.04 2.02 2.07 1dy7A1 GLN 502 HG2 -0.04 -0.05 0.02 -0.04 2.40 2.28 1dy7A1 GLN 502 HG3 -0.04 0.11 -0.04 -0.04 2.39 2.38 1dy7A1 GLN 502 HE21 -0.03 -0.06 -0.08 -0.04 6.97 6.75 1dy7A1 GLN 502 HE22 -0.03 0.06 -0.11 -0.04 7.69 7.58 1dy7A1 PRO 503 HA -0.08 0.11 0.39 -0.51 4.44 4.35 1dy7A1 PRO 503 HB2 0.03 -0.04 -0.33 -0.04 2.28 1.90 1dy7A1 PRO 503 HB3 0.00 0.01 -0.18 -0.04 2.02 1.81 1dy7A1 PRO 503 HG2 -0.01 -0.05 -0.07 -0.04 2.03 1.86 1dy7A1 PRO 503 HG3 -0.00 0.08 -0.09 -0.04 2.03 1.97 1dy7A1 PRO 503 HD2 -0.03 0.15 -0.11 -0.04 3.68 3.65 1dy7A1 PRO 503 HD3 -0.03 0.22 -0.22 -0.04 3.65 3.59 1dy7A1 ARG 504 H -0.05 0.56 0.29 -0.55 8.46 8.71 1dy7A1 ARG 504 HA 0.01 0.21 0.82 -0.75 4.34 4.62 1dy7A1 ARG 504 HB2 -0.02 -0.09 0.18 -0.04 1.90 1.93 1dy7A1 ARG 504 HB3 0.09 0.07 0.09 -0.04 1.80 2.00 1dy7A1 ARG 504 HG2 -0.08 0.10 -0.00 -0.04 1.67 1.65 1dy7A1 ARG 504 HG3 -0.20 -0.03 0.01 -0.04 1.67 1.40 1dy7A1 ARG 504 HD2 -0.51 -0.12 0.01 -0.04 3.22 2.56 1dy7A1 ARG 504 HD3 -0.11 0.12 0.02 -0.04 3.22 3.21 1dy7A1 VAL 505 H 0.04 0.79 0.38 -0.55 8.24 8.90 1dy7A1 VAL 505 HA 0.13 0.38 0.89 -0.75 4.13 4.77 1dy7A1 VAL 505 HB -0.03 0.12 0.04 -0.04 2.12 2.21 1dy7A1 VAL 505 HG13 -0.05 -0.05 -0.24 -0.04 0.97 0.58 1dy7A1 VAL 505 HG23 -0.03 -0.00 -0.13 -0.04 0.95 0.75 1dy7A1 VAL 506 H 0.21 0.59 0.35 -0.55 8.24 8.84 1dy7A1 VAL 506 HA 0.27 -0.08 0.85 -0.75 4.13 4.41 1dy7A1 VAL 506 HB 0.33 0.09 -0.28 -0.04 2.12 2.23 1dy7A1 VAL 506 HG13 0.07 0.04 0.01 -0.04 0.97 1.05 1dy7A1 VAL 506 HG23 0.31 -0.03 -0.00 -0.04 0.95 1.19 1dy7A1 GLN 507 H 0.35 0.01 0.17 -0.55 8.47 8.46 1dy7A1 GLN 507 HA 0.10 -0.08 0.46 -0.75 4.36 4.08 1dy7A1 GLN 507 HB2 -0.60 -0.06 -0.07 -0.04 2.15 1.38 1dy7A1 GLN 507 HB3 -0.28 0.15 -0.10 -0.04 2.02 1.76 1dy7A1 GLN 507 HG2 -0.42 0.24 -0.18 -0.04 2.40 1.99 1dy7A1 GLN 507 HG3 -1.27 -0.05 0.04 -0.04 2.39 1.07 1dy7A1 GLN 507 HE21 -1.23 0.17 0.18 -0.04 6.97 6.05 1dy7A1 GLN 507 HE22 -0.49 -0.01 0.11 -0.04 7.69 7.26 1dy7A1 GLY 508 H 0.11 -0.00 0.05 -0.55 8.43 8.04 1dy7A1 GLY 508 HA2 -1.06 0.37 0.62 -0.51 4.01 3.42 1dy7A1 GLY 508 HA3 -0.47 -0.07 0.22 -0.51 4.01 3.18 1dy7A1 GLU 509 H -0.42 0.36 0.34 -0.55 8.60 8.33 1dy7A1 GLU 509 HA -0.04 0.14 0.80 -0.75 4.29 4.44 1dy7A1 GLU 509 HB2 -0.24 0.19 -0.01 -0.04 2.09 1.99 1dy7A1 GLU 509 HB3 -0.09 -0.06 0.05 -0.04 1.99 1.85 1dy7A1 GLU 509 HG2 -0.23 -0.15 -0.24 -0.04 2.34 1.67 1dy7A1 GLU 509 HG3 -0.13 0.14 -0.22 -0.04 2.34 2.09 1dy7A1 PHE 510 H 0.31 0.20 0.20 -0.55 8.34 8.50 1dy7A1 PHE 510 HA 0.06 0.21 0.99 -0.75 4.62 5.12 1dy7A1 PHE 510 HB2 0.13 0.06 0.15 -0.04 3.15 3.44 1dy7A1 PHE 510 HB3 -0.03 0.00 0.09 -0.04 3.06 3.08 1dy7A1 PHE 510 HD2 0.03 -0.07 -0.16 -0.04 7.28 7.04 1dy7A1 PHE 510 HE2 0.15 0.02 -0.32 -0.04 7.38 7.19 1dy7A1 PHE 510 HZ 0.37 0.05 -0.16 -0.04 7.32 7.53 1dy7A1 ASN 511 H 0.26 0.39 0.32 -0.55 8.53 8.95 1dy7A1 ASN 511 HA 0.02 0.18 0.66 -0.75 4.76 4.87 1dy7A1 ASN 511 HB2 0.20 -0.08 0.22 -0.04 2.88 3.17 1dy7A1 ASN 511 HB3 0.40 0.18 0.15 -0.04 2.79 3.48 1dy7A1 ASN 511 HD21 0.15 -0.02 -0.02 -0.04 7.03 7.10 1dy7A1 ASN 511 HD22 0.21 0.20 0.03 -0.04 7.74 8.13 1dy7A1 LYS 512 H 0.02 0.15 0.20 -0.55 8.42 8.24 1dy7A1 LYS 512 HA 0.08 0.12 0.41 -0.75 4.32 4.18 1dy7A1 LYS 512 HB2 -0.00 0.12 0.10 -0.04 1.87 2.05 1dy7A1 LYS 512 HB3 -0.03 -0.08 0.10 -0.04 1.79 1.74 1dy7A1 LYS 512 HG2 -0.23 0.04 -0.29 -0.04 1.46 0.94 1dy7A1 LYS 512 HG3 -0.57 0.05 0.02 -0.04 1.46 0.92 1dy7A1 LYS 512 HD2 -0.15 -0.02 -0.08 -0.04 1.69 1.39 1dy7A1 LYS 512 HD3 -0.13 -0.06 -0.10 -0.04 1.68 1.35 1dy7A1 LYS 512 HE2 -1.22 0.05 -0.02 -0.04 2.99 1.76 1dy7A1 LYS 512 HE3 -0.24 -0.01 -0.03 -0.04 2.99 2.66 1dy7A1 ASP 513 H 0.01 -0.00 -0.13 -0.55 8.40 7.74 1dy7A1 ASP 513 HA -0.03 0.21 0.54 -0.75 4.63 4.60 1dy7A1 ASP 513 HB2 0.03 -0.11 0.00 -0.04 2.71 2.60 1dy7A1 ASP 513 HB3 0.01 0.08 0.06 -0.04 2.70 2.82 1dy7A1 GLY 514 H -0.10 0.30 -0.55 -0.55 8.43 7.52 1dy7A1 GLY 514 HA2 -0.40 0.06 0.23 -0.51 4.01 3.39 1dy7A1 GLY 514 HA3 -1.18 0.05 0.35 -0.51 4.01 2.72 1dy7A1 THR 515 H 0.10 -0.08 -0.17 -0.55 8.28 7.58 1dy7A1 THR 515 HA 0.16 0.27 0.74 -0.75 4.39 4.80 1dy7A1 THR 515 HB 0.10 -0.02 0.04 -0.04 4.32 4.41 1dy7A1 THR 515 HG23 0.06 0.06 -0.19 -0.04 1.22 1.11 1dy7A1 GLU 516 H 0.23 0.02 0.14 -0.55 8.60 8.43 1dy7A1 GLU 516 HA 0.12 0.24 0.96 -0.75 4.29 4.85 1dy7A1 GLU 516 HB2 0.31 -0.11 0.06 -0.04 2.09 2.31 1dy7A1 GLU 516 HB3 0.22 0.09 -0.02 -0.04 1.99 2.24 1dy7A1 GLU 516 HG2 0.12 0.06 0.00 -0.04 2.34 2.49 1dy7A1 GLU 516 HG3 0.16 -0.15 -0.40 -0.04 2.34 1.91 1dy7A1 VAL 517 H -0.04 0.56 0.25 -0.55 8.24 8.45 1dy7A1 VAL 517 HA -0.38 0.23 0.90 -0.75 4.13 4.12 1dy7A1 VAL 517 HB -1.61 -0.02 -0.22 -0.04 2.12 0.23 1dy7A1 VAL 517 HG13 -0.55 0.00 -0.10 -0.04 0.97 0.29 1dy7A1 VAL 517 HG23 -1.08 0.02 -0.22 -0.04 0.95 -0.37 1dy7A1 TRP 518 H -0.01 0.75 0.36 -0.55 7.97 8.52 1dy7A1 TRP 518 HA -0.21 0.28 1.06 -0.75 4.62 5.00 1dy7A1 TRP 518 HB2 -0.20 0.03 0.11 -0.04 3.23 3.13 1dy7A1 TRP 518 HB3 -0.24 0.05 -0.06 -0.04 3.23 2.93 1dy7A1 TRP 518 HD1 -0.18 -0.19 -0.46 -0.04 7.22 6.35 1dy7A1 TRP 518 HE1 -0.11 -0.00 -0.11 -0.04 10.20 9.94 1dy7A1 TRP 518 HE3 -0.35 0.05 -0.16 -0.04 7.59 7.09 1dy7A1 TRP 518 HZ2 -0.16 0.06 -0.08 -0.04 7.44 7.22 1dy7A1 TRP 518 HZ3 -0.23 -0.01 -0.18 -0.04 7.13 6.67 1dy7A1 TRP 518 HH2 -0.18 -0.00 -0.30 -0.04 7.19 6.66 1dy7A1 PHE 519 H 0.12 0.58 0.34 -0.55 8.34 8.82 1dy7A1 PHE 519 HA 0.02 0.35 0.75 -0.75 4.62 4.98 1dy7A1 PHE 519 HB2 0.01 -0.03 -0.04 -0.04 3.15 3.04 1dy7A1 PHE 519 HB3 0.02 0.05 -0.15 -0.04 3.06 2.94 1dy7A1 PHE 519 HD2 0.01 0.03 -0.35 -0.04 7.28 6.93 1dy7A1 PHE 519 HE2 -0.04 -0.06 -0.21 -0.04 7.38 7.03 1dy7A1 PHE 519 HZ -0.09 -0.02 -0.18 -0.04 7.32 6.99 1dy7A1 SER 520 H 0.14 0.62 0.29 -0.55 8.46 8.96 1dy7A1 SER 520 HA 0.08 0.10 0.97 -0.75 4.49 4.89 1dy7A1 SER 520 HB2 0.05 -0.03 0.19 -0.04 3.95 4.11 1dy7A1 SER 520 HB3 0.05 0.17 -0.11 -0.04 3.93 3.99 1dy7A1 VAL 521 H 0.09 0.78 0.26 -0.55 8.24 8.83 1dy7A1 VAL 521 HA 0.12 0.14 0.68 -0.75 4.13 4.31 1dy7A1 VAL 521 HB 0.06 -0.05 0.13 -0.04 2.12 2.22 1dy7A1 VAL 521 HG13 0.04 0.00 -0.18 -0.04 0.97 0.79 1dy7A1 VAL 521 HG23 0.05 -0.00 -0.34 -0.04 0.95 0.61 1dy7A1 TRP 522 H 0.32 0.76 0.11 -0.55 7.97 8.61 1dy7A1 TRP 522 HA 0.02 0.03 0.73 -0.75 4.62 4.64 1dy7A1 TRP 522 HB2 0.03 0.14 0.10 -0.04 3.23 3.45 1dy7A1 TRP 522 HB3 0.03 0.12 0.28 -0.04 3.23 3.62 1dy7A1 TRP 522 HD1 0.02 0.04 -0.08 -0.04 7.22 7.16 1dy7A1 TRP 522 HE1 0.02 -0.10 -0.09 -0.04 10.20 9.99 1dy7A1 TRP 522 HE3 0.05 0.06 -0.04 -0.04 7.59 7.62 1dy7A1 TRP 522 HZ2 0.04 -0.05 -0.04 -0.04 7.44 7.35 1dy7A1 TRP 522 HZ3 0.06 -0.02 -0.04 -0.04 7.13 7.08 1dy7A1 TRP 522 HH2 0.05 -0.02 -0.02 -0.04 7.19 7.16 1dy7A1 ASN 523 H 0.21 0.19 0.22 -0.55 8.53 8.61 1dy7A1 ASN 523 HA -0.10 0.12 0.76 -0.75 4.76 4.78 1dy7A1 ASN 523 HB2 0.05 0.17 -0.08 -0.04 2.88 2.97 1dy7A1 ASN 523 HB3 0.03 -0.00 -0.31 -0.04 2.79 2.47 1dy7A1 ASN 523 HD21 -0.01 0.33 -0.01 -0.04 7.03 7.30 1dy7A1 ASN 523 HD22 0.01 0.43 0.06 -0.04 7.74 8.20 1dy7A1 GLY 524 H -0.04 0.08 0.05 -0.55 8.43 7.97 1dy7A1 GLY 524 HA2 0.02 0.10 0.38 -0.51 4.01 4.00 1dy7A1 GLY 524 HA3 -0.00 -0.00 0.30 -0.51 4.01 3.79 1dy7A1 LYS 525 H 0.08 0.14 0.15 -0.55 8.42 8.23 1dy7A1 LYS 525 HA 0.09 0.07 0.32 -0.75 4.32 4.05 1dy7A1 LYS 525 HB2 0.11 -0.02 0.11 -0.04 1.87 2.03 1dy7A1 LYS 525 HB3 0.08 -0.04 0.12 -0.04 1.79 1.91 1dy7A1 LYS 525 HG2 0.07 0.03 -0.23 -0.04 1.46 1.28 1dy7A1 LYS 525 HG3 0.08 0.01 -0.03 -0.04 1.46 1.48 1dy7A1 LYS 525 HD2 0.10 0.07 -0.07 -0.04 1.69 1.74 1dy7A1 LYS 525 HD3 0.13 -0.03 -0.01 -0.04 1.68 1.73 1dy7A1 LYS 525 HE2 0.06 -0.00 -0.05 -0.04 2.99 2.96 1dy7A1 LYS 525 HE3 0.08 0.04 -0.01 -0.04 2.99 3.06 1dy7A1 ASP 526 H 0.04 -0.01 -0.25 -0.55 8.40 7.64 1dy7A1 ASP 526 HA 0.03 0.24 0.77 -0.75 4.63 4.92 1dy7A1 ASP 526 HB2 0.02 -0.05 0.02 -0.04 2.71 2.66 1dy7A1 ASP 526 HB3 0.02 0.02 0.14 -0.04 2.70 2.85 1dy7A1 GLN 527 H 0.04 0.49 -0.50 -0.55 8.47 7.96 1dy7A1 GLN 527 HA 0.01 0.16 0.84 -0.75 4.36 4.62 1dy7A1 GLN 527 HB2 0.01 -0.02 -0.06 -0.04 2.15 2.04 1dy7A1 GLN 527 HB3 0.01 0.02 0.05 -0.04 2.02 2.05 1dy7A1 GLN 527 HG2 -0.00 0.06 -0.11 -0.04 2.40 2.31 1dy7A1 GLN 527 HG3 0.01 -0.14 -0.40 -0.04 2.39 1.82 1dy7A1 GLN 527 HE21 -0.03 -0.01 -0.03 -0.04 6.97 6.86 1dy7A1 GLN 527 HE22 -0.01 0.03 -0.07 -0.04 7.69 7.59 1dy7A1 GLU 528 H 0.01 0.07 0.10 -0.55 8.60 8.24 1dy7A1 GLU 528 HA 0.02 0.11 0.66 -0.75 4.29 4.33 1dy7A1 GLU 528 HB2 0.01 -0.06 0.10 -0.04 2.09 2.10 1dy7A1 GLU 528 HB3 0.01 -0.06 0.17 -0.04 1.99 2.07 1dy7A1 GLU 528 HG2 0.01 0.19 -0.15 -0.04 2.34 2.35 1dy7A1 GLU 528 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 1dy7A1 SER 529 H 0.04 0.19 0.26 -0.55 8.46 8.40 1dy7A1 SER 529 HA 0.06 0.20 0.94 -0.75 4.49 4.94 1dy7A1 SER 529 HB2 0.07 0.17 0.18 -0.04 3.95 4.34 1dy7A1 SER 529 HB3 0.10 0.12 0.35 -0.04 3.93 4.46 1dy7A1 ALA 530 H 0.06 0.53 0.39 -0.55 8.40 8.84 1dy7A1 ALA 530 HA -0.00 0.16 0.70 -0.75 4.34 4.44 1dy7A1 ALA 530 HB3 -0.01 0.02 -0.09 -0.04 1.41 1.29 1dy7A1 LEU 531 H -0.06 0.56 0.37 -0.55 8.37 8.69 1dy7A1 LEU 531 HA 0.01 0.26 0.97 -0.75 4.35 4.84 1dy7A1 LEU 531 HB2 -0.21 -0.10 0.05 -0.04 1.64 1.34 1dy7A1 LEU 531 HB3 -0.06 0.04 0.02 -0.04 1.64 1.60 1dy7A1 LEU 531 HG 0.01 -0.02 -0.12 -0.04 1.64 1.47 1dy7A1 LEU 531 HD13 0.19 -0.02 -0.14 -0.04 0.93 0.92 1dy7A1 LEU 531 HD23 0.06 0.05 -0.14 -0.04 0.89 0.81 1dy7A1 VAL 532 H 0.00 0.67 0.26 -0.55 8.24 8.62 1dy7A1 VAL 532 HA -0.14 0.25 1.07 -0.75 4.13 4.55 1dy7A1 VAL 532 HB 0.12 -0.05 0.01 -0.04 2.12 2.17 1dy7A1 VAL 532 HG13 0.22 -0.02 -0.25 -0.04 0.97 0.89 1dy7A1 VAL 532 HG23 0.05 0.05 -0.24 -0.04 0.95 0.76 1dy7A1 VAL 533 H -0.31 0.78 0.32 -0.55 8.24 8.48 1dy7A1 VAL 533 HA -0.37 0.22 0.93 -0.75 4.13 4.15 1dy7A1 VAL 533 HB -0.57 -0.07 0.12 -0.04 2.12 1.56 1dy7A1 VAL 533 HG13 -0.26 -0.01 -0.21 -0.04 0.97 0.46 1dy7A1 VAL 533 HG23 -1.62 0.02 -0.20 -0.04 0.95 -0.90 1dy7A1 VAL 534 H -0.01 0.78 0.30 -0.55 8.24 8.76 1dy7A1 VAL 534 HA 0.05 0.14 0.86 -0.75 4.13 4.43 1dy7A1 VAL 534 HB 0.15 -0.04 0.03 -0.04 2.12 2.21 1dy7A1 VAL 534 HG13 0.28 0.03 -0.38 -0.04 0.97 0.86 1dy7A1 VAL 534 HG23 0.40 0.02 -0.25 -0.04 0.95 1.08 1dy7A1 ASP 535 H 0.02 0.71 0.17 -0.55 8.40 8.75 1dy7A1 ASP 535 HA 0.08 0.13 0.72 -0.75 4.63 4.80 1dy7A1 ASP 535 HB2 0.01 0.10 0.05 -0.04 2.71 2.83 1dy7A1 ASP 535 HB3 0.02 -0.05 0.18 -0.04 2.70 2.81 1dy7A1 ASP 536 H 0.17 0.58 0.25 -0.55 8.40 8.85 1dy7A1 ASP 536 HA 0.33 0.05 0.33 -0.75 4.63 4.59 1dy7A1 ASP 536 HB2 0.32 -0.07 -0.23 -0.04 2.71 2.69 1dy7A1 ASP 536 HB3 0.30 0.10 -0.05 -0.04 2.70 3.00 1dy7A1 LYS 537 H 0.17 0.11 -0.11 -0.55 8.42 8.04 1dy7A1 LYS 537 HA 0.23 0.11 0.47 -0.75 4.32 4.38 1dy7A1 LYS 537 HB2 0.11 -0.06 0.06 -0.04 1.87 1.93 1dy7A1 LYS 537 HB3 0.11 0.04 0.01 -0.04 1.79 1.91 1dy7A1 LYS 537 HG2 0.12 -0.03 0.09 -0.04 1.46 1.60 1dy7A1 LYS 537 HG3 0.09 0.02 0.04 -0.04 1.46 1.56 1dy7A1 LYS 537 HD2 0.10 0.02 0.05 -0.04 1.69 1.82 1dy7A1 LYS 537 HD3 0.15 -0.03 -0.02 -0.04 1.68 1.74 1dy7A1 LYS 537 HE2 0.09 -0.06 0.02 -0.04 2.99 3.00 1dy7A1 LYS 537 HE3 0.07 -0.01 0.03 -0.04 2.99 3.03 1dy7A1 THR 538 H 0.11 0.02 -0.22 -0.55 8.28 7.65 1dy7A1 THR 538 HA 0.10 0.26 0.85 -0.75 4.39 4.84 1dy7A1 THR 538 HB 0.03 0.04 0.01 -0.04 4.32 4.37 1dy7A1 THR 538 HG23 0.05 -0.00 -0.07 -0.04 1.22 1.15 1dy7A1 LEU 539 H 0.10 0.40 -0.08 -0.55 8.37 8.24 1dy7A1 LEU 539 HA 0.12 0.02 0.19 -0.75 4.35 3.92 1dy7A1 LEU 539 HB2 -0.04 0.19 -0.07 -0.04 1.64 1.67 1dy7A1 LEU 539 HB3 0.00 -0.06 0.11 -0.04 1.64 1.65 1dy7A1 LEU 539 HG -0.42 0.06 -0.33 -0.04 1.64 0.91 1dy7A1 LEU 539 HD13 -0.71 -0.02 -0.13 -0.04 0.93 0.04 1dy7A1 LEU 539 HD23 -0.24 -0.01 -0.10 -0.04 0.89 0.50 1dy7A1 GLU 540 H 0.04 0.01 -0.18 -0.55 8.60 7.93 1dy7A1 GLU 540 HA -0.07 0.20 0.77 -0.75 4.29 4.43 1dy7A1 GLU 540 HB2 -0.06 -0.09 -0.06 -0.04 2.09 1.84 1dy7A1 GLU 540 HB3 -0.18 0.07 0.01 -0.04 1.99 1.85 1dy7A1 GLU 540 HG2 -0.02 0.04 -0.09 -0.04 2.34 2.22 1dy7A1 GLU 540 HG3 0.01 0.15 -0.35 -0.04 2.34 2.11 1dy7A1 LEU 541 H -0.93 0.15 0.12 -0.55 8.37 7.16 1dy7A1 LEU 541 HA -0.49 0.05 0.48 -0.75 4.35 3.64 1dy7A1 LEU 541 HB2 -2.11 0.01 0.06 -0.04 1.64 -0.43 1dy7A1 LEU 541 HB3 -0.88 -0.01 0.10 -0.04 1.64 0.82 1dy7A1 LEU 541 HG -0.38 -0.01 -0.42 -0.04 1.64 0.79 1dy7A1 LEU 541 HD13 -0.15 0.02 -0.11 -0.04 0.93 0.65 1dy7A1 LEU 541 HD23 -0.43 0.01 -0.08 -0.04 0.89 0.35 1dy7A1 LYS 542 H -0.19 0.60 0.43 -0.55 8.42 8.70 1dy7A1 LYS 542 HA -0.12 0.15 0.85 -0.75 4.32 4.44 1dy7A1 LYS 542 HB2 -0.05 -0.11 -0.12 -0.04 1.87 1.55 1dy7A1 LYS 542 HB3 -0.14 0.07 -0.21 -0.04 1.79 1.46 1dy7A1 LYS 542 HG2 0.04 -0.06 -0.16 -0.04 1.46 1.24 1dy7A1 LYS 542 HG3 -0.11 0.04 -0.35 -0.04 1.46 1.00 1dy7A1 LYS 542 HD2 -0.02 0.06 0.10 -0.04 1.69 1.78 1dy7A1 LYS 542 HD3 0.03 -0.07 -0.02 -0.04 1.68 1.58 1dy7A1 LYS 542 HE2 0.10 0.03 -0.05 -0.04 2.99 3.03 1dy7A1 LYS 542 HE3 0.05 -0.01 0.00 -0.04 2.99 2.99 1dy7A1 HIS 543 H -0.25 0.38 0.29 -0.55 8.41 8.28 1dy7A1 HIS 543 HA -0.28 0.14 0.57 -0.75 4.63 4.30 1dy7A1 HIS 543 HB2 -0.60 0.09 -0.38 -0.04 3.26 2.33 1dy7A1 HIS 543 HB3 -1.06 -0.10 -0.14 -0.04 3.20 1.86 1dy7A1 HIS 543 HD2 -0.55 -0.10 -0.38 -0.04 6.97 5.89 1dy7A1 HIS 543 HE1 -0.03 -0.03 0.02 -0.04 7.75 7.67 1dy7A1 VAL 544 H -0.79 0.24 0.14 -0.55 8.24 7.28 1dy7A1 VAL 544 HA -0.26 0.23 1.06 -0.75 4.13 4.40 1dy7A1 VAL 544 HB -0.27 -0.04 0.13 -0.04 2.12 1.90 1dy7A1 VAL 544 HG13 -0.11 0.03 -0.13 -0.04 0.97 0.71 1dy7A1 VAL 544 HG23 -0.14 0.02 -0.13 -0.04 0.95 0.66 1dy7A1 ILE 545 H -0.22 0.73 0.27 -0.55 8.25 8.48 1dy7A1 ILE 545 HA -0.09 0.15 0.88 -0.75 4.18 4.36 1dy7A1 ILE 545 HB -0.17 -0.09 0.19 -0.04 1.89 1.78 1dy7A1 ILE 545 HG12 -0.02 0.11 -0.06 -0.04 1.49 1.48 1dy7A1 ILE 545 HG13 -0.27 -0.05 -0.26 -0.04 1.21 0.59 1dy7A1 ILE 545 HG23 -0.02 -0.00 -0.17 -0.04 0.93 0.70 1dy7A1 ILE 545 HD13 -0.53 -0.02 -0.14 -0.04 0.88 0.15 1dy7A1 LYS 546 H -0.06 0.30 0.21 -0.55 8.42 8.32 1dy7A1 LYS 546 HA -0.02 0.22 0.83 -0.75 4.32 4.59 1dy7A1 LYS 546 HB2 -0.05 -0.03 0.07 -0.04 1.87 1.83 1dy7A1 LYS 546 HB3 -0.02 -0.03 0.05 -0.04 1.79 1.75 1dy7A1 LYS 546 HG2 -0.02 0.28 0.21 -0.04 1.46 1.88 1dy7A1 LYS 546 HG3 -0.06 -0.07 -0.28 -0.04 1.46 1.00 1dy7A1 LYS 546 HD2 -0.04 -0.06 -0.02 -0.04 1.69 1.52 1dy7A1 LYS 546 HD3 -0.02 -0.08 0.00 -0.04 1.68 1.54 1dy7A1 LYS 546 HE2 -0.01 -0.01 -0.13 -0.04 2.99 2.80 1dy7A1 LYS 546 HE3 -0.04 0.07 -0.01 -0.04 2.99 2.96 1dy7A1 ASP 547 H 0.00 0.42 0.17 -0.55 8.40 8.45 1dy7A1 ASP 547 HA 0.01 0.12 0.50 -0.75 4.63 4.50 1dy7A1 ASP 547 HB2 0.01 0.16 -0.19 -0.04 2.71 2.66 1dy7A1 ASP 547 HB3 0.02 -0.08 -0.09 -0.04 2.70 2.51 1dy7A1 GLU 548 H 0.01 0.18 0.12 -0.55 8.60 8.37 1dy7A1 GLU 548 HA 0.02 0.14 0.27 -0.75 4.29 3.96 1dy7A1 GLU 548 HB2 0.02 -0.03 0.09 -0.04 2.09 2.13 1dy7A1 GLU 548 HB3 0.02 0.06 0.03 -0.04 1.99 2.06 1dy7A1 GLU 548 HG2 0.01 -0.04 0.06 -0.04 2.34 2.33 1dy7A1 GLU 548 HG3 0.01 0.02 0.03 -0.04 2.34 2.36 1dy7A1 ARG 549 H 0.02 -0.00 -0.37 -0.55 8.46 7.56 1dy7A1 ARG 549 HA 0.03 0.14 0.46 -0.75 4.34 4.22 1dy7A1 ARG 549 HB2 0.03 -0.03 -0.09 -0.04 1.90 1.77 1dy7A1 ARG 549 HB3 0.03 0.02 -0.01 -0.04 1.80 1.81 1dy7A1 ARG 549 HG2 0.03 0.06 -0.04 -0.04 1.67 1.68 1dy7A1 ARG 549 HG3 0.02 -0.10 -0.04 -0.04 1.67 1.52 1dy7A1 ARG 549 HD2 0.03 0.01 -0.05 -0.04 3.22 3.17 1dy7A1 ARG 549 HD3 0.03 0.02 -0.03 -0.04 3.22 3.20 1dy7A1 LEU 550 H 0.03 0.49 -0.42 -0.55 8.37 7.93 1dy7A1 LEU 550 HA 0.04 0.06 0.37 -0.75 4.35 4.06 1dy7A1 LEU 550 HB2 0.03 -0.11 -0.05 -0.04 1.64 1.46 1dy7A1 LEU 550 HB3 0.03 0.06 0.14 -0.04 1.64 1.83 1dy7A1 LEU 550 HG 0.04 0.04 -0.24 -0.04 1.64 1.44 1dy7A1 LEU 550 HD13 0.04 -0.01 -0.19 -0.04 0.93 0.74 1dy7A1 LEU 550 HD23 0.02 0.01 -0.23 -0.04 0.89 0.66 1dy7A1 VAL 551 H 0.04 0.41 0.06 -0.55 8.24 8.20 1dy7A1 VAL 551 HA 0.07 0.18 0.58 -0.75 4.13 4.20 1dy7A1 VAL 551 HB 0.05 -0.05 0.05 -0.04 2.12 2.13 1dy7A1 VAL 551 HG13 0.08 -0.01 -0.14 -0.04 0.97 0.86 1dy7A1 VAL 551 HG23 0.05 0.03 -0.13 -0.04 0.95 0.86 1dy7A1 THR 552 H 0.12 0.27 0.09 -0.55 8.28 8.21 1dy7A1 THR 552 HA 0.31 0.19 0.36 -0.75 4.39 4.49 1dy7A1 THR 552 HB 0.30 0.04 0.13 -0.04 4.32 4.75 1dy7A1 THR 552 HG23 0.22 0.10 -0.06 -0.04 1.22 1.44 1dy7A1 PRO 553 HA -0.06 0.39 0.61 -0.51 4.44 4.86 1dy7A1 PRO 553 HB2 0.01 0.03 -0.11 -0.04 2.28 2.17 1dy7A1 PRO 553 HB3 0.02 -0.04 -0.14 -0.04 2.02 1.82 1dy7A1 PRO 553 HG2 0.09 0.02 -0.01 -0.04 2.03 2.09 1dy7A1 PRO 553 HG3 0.06 0.02 -0.08 -0.04 2.03 1.99 1dy7A1 PRO 553 HD2 0.17 0.00 0.19 -0.04 3.68 4.00 1dy7A1 PRO 553 HD3 0.08 0.21 -0.33 -0.04 3.65 3.56 1dy7A1 THR 554 H -0.19 0.37 0.17 -0.55 8.28 8.08 1dy7A1 THR 554 HA -0.45 0.18 0.89 -0.75 4.39 4.26 1dy7A1 THR 554 HB -0.57 -0.01 0.15 -0.04 4.32 3.85 1dy7A1 THR 554 HG23 -1.39 0.03 -0.18 -0.04 1.22 -0.36 1dy7A1 GLY 555 H -0.22 0.14 0.18 -0.55 8.43 7.98 1dy7A1 GLY 555 HA2 -0.36 0.08 0.39 -0.51 4.01 3.61 1dy7A1 GLY 555 HA3 -0.13 0.07 0.37 -0.51 4.01 3.81 1dy7A1 LYS 556 H -0.71 0.28 0.23 -0.55 8.42 7.66 1dy7A1 LYS 556 HA -0.15 0.23 0.89 -0.75 4.32 4.53 1dy7A1 LYS 556 HB2 -0.17 0.03 0.03 -0.04 1.87 1.71 1dy7A1 LYS 556 HB3 0.03 -0.09 -0.09 -0.04 1.79 1.60 1dy7A1 LYS 556 HG2 0.05 -0.06 -0.18 -0.04 1.46 1.23 1dy7A1 LYS 556 HG3 -0.11 0.15 -0.41 -0.04 1.46 1.05 1dy7A1 LYS 556 HD2 0.23 -0.11 -0.21 -0.04 1.69 1.56 1dy7A1 LYS 556 HD3 0.10 -0.01 -0.30 -0.04 1.68 1.43 1dy7A1 LYS 556 HE2 -0.13 -0.07 -0.04 -0.04 2.99 2.71 1dy7A1 LYS 556 HE3 -0.03 -0.07 -0.46 -0.04 2.99 2.38 1dy7A1 PHE 557 H -0.01 0.42 0.13 -0.55 8.34 8.33 1dy7A1 PHE 557 HA -0.12 0.16 0.92 -0.75 4.62 4.82 1dy7A1 PHE 557 HB2 -0.05 -0.07 0.09 -0.04 3.15 3.08 1dy7A1 PHE 557 HB3 -0.06 0.04 0.01 -0.04 3.06 3.01 1dy7A1 PHE 557 HD2 -0.04 0.03 0.00 -0.04 7.28 7.23 1dy7A1 PHE 557 HE2 -0.09 0.00 0.04 -0.04 7.38 7.30 1dy7A1 PHE 557 HZ -0.11 0.04 0.12 -0.04 7.32 7.33 1dy7A1 ASN 558 H -0.29 0.21 0.11 -0.55 8.53 8.01 1dy7A1 ASN 558 HA -0.81 0.27 0.73 -0.75 4.76 4.19 1dy7A1 ASN 558 HB2 -1.32 0.12 0.09 -0.04 2.88 1.73 1dy7A1 ASN 558 HB3 -0.31 -0.00 0.19 -0.04 2.79 2.62 1dy7A1 ASN 558 HD21 -0.20 -0.11 0.21 -0.04 7.03 6.89 1dy7A1 ASN 558 HD22 -0.98 0.13 -0.09 -0.04 7.74 6.75 1dy7A1 VAL 559 H -0.16 0.66 0.27 -0.55 8.24 8.47 1dy7A1 VAL 559 HA 0.01 0.02 0.28 -0.75 4.13 3.68 1dy7A1 VAL 559 HB 0.04 0.02 0.27 -0.04 2.12 2.40 1dy7A1 VAL 559 HG13 0.07 -0.02 -0.15 -0.04 0.97 0.83 1dy7A1 VAL 559 HG23 0.05 0.03 0.00 -0.04 0.95 0.99 1dy7A1 TYR 560 H 0.10 0.45 0.13 -0.55 8.29 8.42 1dy7A1 TYR 560 HA 0.02 0.07 0.44 -0.75 4.56 4.34 1dy7A1 TYR 560 HB2 0.01 0.01 0.21 -0.04 3.06 3.24 1dy7A1 TYR 560 HB3 0.00 -0.06 0.13 -0.04 2.98 3.02 1dy7A1 TYR 560 HD2 0.05 -0.01 -0.08 -0.04 7.15 7.07 1dy7A1 TYR 560 HE2 0.05 0.02 -0.02 -0.04 6.85 6.87 1dy7A1 ASN 561 H 0.09 0.09 -0.17 -0.55 8.53 7.99 1dy7A1 ASN 561 HA 0.09 0.06 0.47 -0.75 4.76 4.63 1dy7A1 ASN 561 HB2 0.08 -0.02 0.14 -0.04 2.88 3.04 1dy7A1 ASN 561 HB3 0.18 0.23 0.23 -0.04 2.79 3.39 1dy7A1 ASN 561 HD21 0.21 0.25 -0.20 -0.04 7.03 7.26 1dy7A1 ASN 561 HD22 0.15 0.07 0.02 -0.04 7.74 7.94 1dy7A1 THR 562 H 0.03 0.45 -0.27 -0.55 8.28 7.94 1dy7A1 THR 562 HA 0.13 0.09 0.68 -0.75 4.39 4.53 1dy7A1 THR 562 HB 0.04 0.04 0.10 -0.04 4.32 4.45 1dy7A1 THR 562 HG23 -0.01 -0.01 0.08 -0.04 1.22 1.24 1dy7A1 MET 563 H -0.04 0.60 0.08 -0.55 8.47 8.57 1dy7A1 MET 563 HA -0.02 0.07 0.29 -0.75 4.52 4.10 1dy7A1 MET 563 HB2 -0.06 0.03 0.00 -0.04 2.15 2.09 1dy7A1 MET 563 HB3 -0.03 -0.08 0.07 -0.04 2.03 1.96 1dy7A1 MET 563 HG2 -0.20 0.12 0.30 -0.04 2.63 2.81 1dy7A1 MET 563 HG3 -0.27 0.02 -0.10 -0.04 2.56 2.18 1dy7A1 MET 563 HE3 -0.03 0.01 -0.30 -0.04 2.10 1.74 1dy7A1 THR 564 H -0.17 0.32 -0.30 -0.55 8.28 7.58 1dy7A1 THR 564 HA -0.13 0.18 0.82 -0.75 4.39 4.51 1dy7A1 THR 564 HB -0.15 -0.03 0.11 -0.04 4.32 4.21 1dy7A1 THR 564 HG23 -0.60 -0.01 -0.00 -0.04 1.22 0.56 1dy7A1 ASP 565 H 0.06 0.30 -0.31 -0.55 8.40 7.91 1dy7A1 ASP 565 HA 0.29 0.03 0.37 -0.75 4.63 4.57 1dy7A1 ASP 565 HB2 0.03 0.16 0.02 -0.04 2.71 2.87 1dy7A1 ASP 565 HB3 0.12 -0.11 0.25 -0.04 2.70 2.92 1dy7A1 THR 566 H 0.08 0.47 0.05 -0.55 8.28 8.33 1dy7A1 THR 566 HA -0.06 0.12 0.79 -0.75 4.39 4.48 1dy7A1 THR 566 HB 0.11 -0.08 0.24 -0.04 4.32 4.55 1dy7A1 THR 566 HG23 -0.12 -0.01 -0.01 -0.04 1.22 1.05 1dy7A1 TYR 567 H -0.29 0.19 0.12 -0.55 8.29 7.76 1dy7A1 TYR 567 HA 0.07 0.17 0.47 -0.75 4.56 4.52 1dy7A1 TYR 567 HB2 0.14 0.15 0.15 -0.04 3.06 3.47 1dy7A1 TYR 567 HB3 0.14 0.07 0.05 -0.04 2.98 3.20 1dy7A1 TYR 567 HD2 0.19 -0.01 -0.19 -0.04 7.15 7.09 1dy7A1 TYR 567 HE2 0.24 0.04 0.12 -0.04 6.85 7.21