============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 20 0.840 -5.204 4.912 -24.542 -99.200 -91.000 TRP 24 1.040 -15.890 5.477 -22.770 -99.200 -91.000 TRP6 24 1.020 -17.872 4.327 -23.329 -99.200 -91.000 TRP 28 1.040 -21.541 19.803 -19.383 -99.200 -91.000 TRP6 28 1.020 -21.296 22.059 -20.052 -99.200 -91.000 HIS 29 0.900 -25.639 21.602 -19.217 -99.200 -91.000 PHE 38 1.000 -5.589 9.124 -17.618 -99.200 -91.000 TRP 46 1.040 -6.719 11.430 -13.317 -99.200 -91.000 TRP6 46 1.020 -6.435 11.821 -11.023 -99.200 -91.000 PHE 47 1.000 -0.584 13.440 -8.351 -99.200 -91.000 TYR 53 0.840 -4.243 19.484 -19.738 -99.200 -91.000 HIS 60 0.900 -0.602 27.588 -28.956 -99.200 -91.000 PHE 66 1.000 -8.172 20.215 -16.967 -99.200 -91.000 TRP 75 1.040 -14.264 9.090 -15.545 -99.200 -91.000 TRP6 75 1.020 -16.464 9.733 -16.091 -99.200 -91.000 HIS 79 0.900 -11.774 22.527 -25.781 -99.200 -91.000 TYR 80 0.840 -15.191 13.481 -30.054 -99.200 -91.000 HIS 81 0.900 -9.937 18.705 -30.853 -99.200 -91.000 HIS 83 0.900 -11.421 15.710 -39.437 -99.200 -91.000 TYR 87 0.840 -2.098 4.843 -36.019 -99.200 -91.000 PHE 89 1.000 -6.873 14.342 -41.610 -99.200 -91.000 HIS 98 0.900 -2.869 25.249 -48.147 -99.200 -91.000 HIS 113 0.900 1.957 27.436 -25.479 -99.200 -91.000 HIS 115 0.900 10.375 21.334 -26.913 -99.200 -91.000 PHE 119 1.000 11.962 33.823 -19.166 -99.200 -91.000 HIS 129 0.900 3.781 14.792 -25.449 -99.200 -91.000 PHE 132 1.000 5.046 15.575 -31.359 -99.200 -91.000 HIS 156 0.900 15.028 24.609 -16.460 -99.200 -91.000 TYR 162 0.840 12.179 21.264 -9.028 -99.200 -91.000 TYR 176 0.840 6.520 7.720 -32.896 -99.200 -91.000 PHE 191 1.000 13.023 21.488 -20.097 -99.200 -91.000 TYR 194 0.840 14.293 14.363 -19.485 -99.200 -91.000 TRP 196 1.040 18.559 19.109 -27.922 -99.200 -91.000 TRP6 196 1.020 20.316 19.287 -26.347 -99.200 -91.000 TRP 200 1.040 14.270 9.936 -32.707 -99.200 -91.000 TRP6 200 1.020 16.200 9.464 -33.959 -99.200 -91.000 PHE 202 1.000 7.577 18.506 -35.430 -99.200 -91.000 TRP 207 1.040 9.330 8.543 -43.141 -99.200 -91.000 TRP6 207 1.020 7.898 6.701 -42.799 -99.200 -91.000 TYR 222 0.840 0.160 5.476 -40.650 -99.200 -91.000 PHE 226 1.000 12.865 3.876 -36.948 -99.200 -91.000 TYR 227 0.840 7.495 0.938 -44.097 -99.200 -91.000 PHE 236 1.000 15.437 -0.423 -24.266 -99.200 -91.000 TRP 273 1.040 14.706 11.777 -37.705 -99.200 -91.000 TRP6 273 1.020 13.791 11.233 -39.788 -99.200 -91.000 TYR 274 0.840 21.876 16.977 -38.400 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3my0G1 MET 0 HA 0.01 0.01 0.17 -0.75 4.52 3.96 3my0G1 GLN 195 H -0.02 0.17 0.09 -0.55 8.47 8.16 3my0G1 GLN 195 HA -0.12 0.10 0.39 -0.75 4.36 3.97 3my0G1 ARG 196 H -0.00 0.14 -0.14 -0.55 8.46 7.91 3my0G1 ARG 196 HA 0.01 0.02 0.41 -0.75 4.34 4.02 3my0G1 THR 197 H 0.01 0.40 -0.42 -0.55 8.28 7.73 3my0G1 THR 197 HA 0.04 -0.02 0.29 -0.75 4.39 3.95 3my0G1 THR 197 HB 0.09 -0.02 0.15 -0.04 4.32 4.50 3my0G1 THR 197 HG23 0.03 -0.01 -0.06 -0.04 1.22 1.14 3my0G1 VAL 198 H -0.03 0.38 -0.22 -0.55 8.24 7.83 3my0G1 VAL 198 HA 0.05 0.17 0.70 -0.75 4.13 4.30 3my0G1 VAL 198 HB -0.23 -0.03 -0.01 -0.04 2.12 1.81 3my0G1 VAL 198 HG13 -1.16 -0.01 -0.09 -0.04 0.97 -0.33 3my0G1 VAL 198 HG23 -0.31 0.12 -0.13 -0.04 0.95 0.59 3my0G1 ALA 199 H 0.01 0.31 0.15 -0.55 8.40 8.32 3my0G1 ALA 199 HA 0.23 0.07 0.28 -0.75 4.34 4.16 3my0G1 ALA 199 HB3 0.10 0.03 -0.02 -0.04 1.41 1.48 3my0G1 ARG 200 H 0.03 0.11 -0.17 -0.55 8.46 7.87 3my0G1 ARG 200 HA -0.03 0.12 0.62 -0.75 4.34 4.30 3my0G1 GLN 201 H 0.15 0.01 -0.48 -0.55 8.47 7.60 3my0G1 GLN 201 HA 0.08 0.11 0.53 -0.75 4.36 4.31 3my0G1 VAL 202 H 0.21 0.38 -0.08 -0.55 8.24 8.21 3my0G1 VAL 202 HA 0.23 0.07 0.38 -0.75 4.13 4.06 3my0G1 VAL 202 HB 0.26 0.01 -0.00 -0.04 2.12 2.35 3my0G1 VAL 202 HG13 0.06 -0.04 -0.41 -0.04 0.97 0.54 3my0G1 VAL 202 HG23 0.14 0.01 -0.26 -0.04 0.95 0.80 3my0G1 ALA 203 H 0.06 0.54 0.35 -0.55 8.40 8.81 3my0G1 ALA 203 HA 0.02 0.15 0.83 -0.75 4.34 4.58 3my0G1 ALA 203 HB3 -0.01 0.00 0.10 -0.04 1.41 1.46 3my0G1 LEU 204 H -0.08 0.20 0.10 -0.55 8.37 8.04 3my0G1 LEU 204 HA -0.07 0.08 0.64 -0.75 4.35 4.23 3my0G1 LEU 204 HB2 -0.45 0.02 0.03 -0.04 1.64 1.20 3my0G1 LEU 204 HB3 -0.64 -0.03 -0.10 -0.04 1.64 0.84 3my0G1 LEU 204 HG -0.24 0.06 -0.01 -0.04 1.64 1.41 3my0G1 LEU 204 HD13 -1.13 -0.00 -0.08 -0.04 0.93 -0.33 3my0G1 LEU 204 HD23 -0.45 -0.01 -0.27 -0.04 0.89 0.12 3my0G1 VAL 205 H 0.13 0.58 0.38 -0.55 8.24 8.77 3my0G1 VAL 205 HA 0.09 0.20 0.89 -0.75 4.13 4.56 3my0G1 VAL 205 HB 0.02 0.02 0.07 -0.04 2.12 2.19 3my0G1 VAL 205 HG13 0.03 -0.01 -0.12 -0.04 0.97 0.83 3my0G1 VAL 205 HG23 0.00 0.01 -0.16 -0.04 0.95 0.77 3my0G1 GLU 206 H 0.21 0.37 0.31 -0.55 8.60 8.94 3my0G1 GLU 206 HA 0.06 0.18 0.90 -0.75 4.29 4.67 3my0G1 CYS 207 H -0.49 0.22 0.15 -0.55 8.50 7.84 3my0G1 CYS 207 HA -1.01 0.07 0.92 -0.75 4.58 3.81 3my0G1 CYS 207 HB2 -2.14 0.00 0.10 -0.04 2.97 0.89 3my0G1 CYS 207 HB3 -0.67 0.01 0.20 -0.04 2.97 2.47 3my0G1 VAL 208 H -0.21 0.40 0.39 -0.55 8.24 8.26 3my0G1 VAL 208 HA -0.07 0.19 0.76 -0.75 4.13 4.25 3my0G1 VAL 208 HB 0.06 0.02 0.11 -0.04 2.12 2.27 3my0G1 VAL 208 HG13 0.07 0.01 -0.14 -0.04 0.97 0.87 3my0G1 VAL 208 HG23 0.11 -0.01 -0.19 -0.04 0.95 0.82 3my0G1 GLY 209 H -0.19 0.33 0.17 -0.55 8.43 8.20 3my0G1 GLY 209 HA2 -0.01 0.14 0.60 -0.51 4.01 4.22 3my0G1 GLY 209 HA3 0.05 -0.02 0.34 -0.51 4.01 3.86 3my0G1 LYS 210 H -0.02 0.32 0.20 -0.55 8.42 8.36 3my0G1 LYS 210 HA -0.19 0.19 0.73 -0.75 4.32 4.29 3my0G1 GLY 211 H -0.45 0.70 0.35 -0.55 8.43 8.49 3my0G1 GLY 211 HA2 -0.20 0.12 0.44 -0.51 4.01 3.86 3my0G1 GLY 211 HA3 -0.47 -0.01 0.42 -0.51 4.01 3.44 3my0G1 ARG 212 H -0.13 0.19 0.17 -0.55 8.46 8.14 3my0G1 ARG 212 HA -0.07 0.13 0.45 -0.75 4.34 4.10 3my0G1 TYR 213 H -0.21 0.03 -0.22 -0.55 8.29 7.34 3my0G1 TYR 213 HA 0.06 0.11 0.53 -0.75 4.56 4.51 3my0G1 TYR 213 HB2 -0.05 0.02 -0.03 -0.04 3.06 2.96 3my0G1 TYR 213 HB3 0.01 0.01 0.00 -0.04 2.98 2.96 3my0G1 TYR 213 HD2 -0.09 0.00 -0.37 -0.04 7.15 6.65 3my0G1 TYR 213 HE2 -0.06 -0.00 -0.34 -0.04 6.85 6.40 3my0G1 GLY 214 H -0.49 0.30 -0.44 -0.55 8.43 7.25 3my0G1 GLY 214 HA2 -0.05 0.01 0.25 -0.51 4.01 3.71 3my0G1 GLY 214 HA3 0.02 0.28 0.89 -0.51 4.01 4.69 3my0G1 GLU 215 H 0.06 0.77 0.29 -0.55 8.60 9.17 3my0G1 GLU 215 HA -0.04 0.09 0.73 -0.75 4.29 4.31 3my0G1 GLU 215 HB2 0.20 -0.04 0.06 -0.04 2.09 2.27 3my0G1 GLU 215 HB3 -0.10 0.09 0.09 -0.04 1.99 2.03 3my0G1 GLU 215 HG2 -0.08 0.03 0.09 -0.04 2.34 2.34 3my0G1 GLU 215 HG3 0.01 -0.09 -0.38 -0.04 2.34 1.84 3my0G1 VAL 216 H 0.02 0.37 0.15 -0.55 8.24 8.22 3my0G1 VAL 216 HA 0.09 0.25 0.98 -0.75 4.13 4.70 3my0G1 VAL 216 HB 0.05 -0.05 0.02 -0.04 2.12 2.10 3my0G1 VAL 216 HG13 0.08 -0.00 -0.22 -0.04 0.97 0.79 3my0G1 VAL 216 HG23 0.03 -0.01 -0.20 -0.04 0.95 0.74 3my0G1 TRP 217 H 0.21 0.55 0.26 -0.55 7.97 8.44 3my0G1 TRP 217 HA -0.04 0.07 1.13 -0.75 4.62 5.02 3my0G1 TRP 217 HB2 -0.20 0.06 0.09 -0.04 3.23 3.14 3my0G1 TRP 217 HB3 -0.13 0.06 -0.10 -0.04 3.23 3.02 3my0G1 TRP 217 HD1 -0.16 0.04 -0.19 -0.04 7.22 6.86 3my0G1 TRP 217 HE1 -0.06 0.00 -0.08 -0.04 10.20 10.02 3my0G1 TRP 217 HE3 -0.06 -0.01 -0.42 -0.04 7.59 7.05 3my0G1 TRP 217 HZ2 -0.01 0.01 -0.05 -0.04 7.44 7.34 3my0G1 TRP 217 HZ3 -0.02 0.13 -0.34 -0.04 7.13 6.85 3my0G1 TRP 217 HH2 -0.01 0.03 -0.07 -0.04 7.19 7.10 3my0G1 ARG 218 H 0.08 0.82 0.45 -0.55 8.46 9.25 3my0G1 ARG 218 HA -0.27 0.18 0.98 -0.75 4.34 4.48 3my0G1 ARG 218 HB2 -0.29 -0.00 0.12 -0.04 1.90 1.68 3my0G1 ARG 218 HB3 -0.13 -0.10 0.21 -0.04 1.80 1.74 3my0G1 ARG 218 HG2 -0.37 0.07 -0.17 -0.04 1.67 1.15 3my0G1 ARG 218 HG3 -1.48 -0.00 0.03 -0.04 1.67 0.18 3my0G1 ARG 218 HD2 -0.45 -0.02 -0.06 -0.04 3.22 2.66 3my0G1 ARG 218 HD3 -0.24 0.00 -0.03 -0.04 3.22 2.91 3my0G1 GLY 219 H -0.15 0.88 0.42 -0.55 8.43 9.04 3my0G1 GLY 219 HA2 -0.02 0.15 1.06 -0.51 4.01 4.69 3my0G1 GLY 219 HA3 -0.03 0.00 0.17 -0.51 4.01 3.64 3my0G1 LEU 220 H 0.01 0.72 0.32 -0.55 8.37 8.87 3my0G1 LEU 220 HA 0.03 0.32 0.92 -0.75 4.35 4.87 3my0G1 LEU 220 HB2 -0.01 0.00 0.07 -0.04 1.64 1.67 3my0G1 LEU 220 HB3 -0.02 -0.06 -0.01 -0.04 1.64 1.51 3my0G1 LEU 220 HG -0.02 -0.02 -0.07 -0.04 1.64 1.48 3my0G1 LEU 220 HD13 -0.03 0.02 -0.19 -0.04 0.93 0.69 3my0G1 LEU 220 HD23 -0.02 0.03 -0.18 -0.04 0.89 0.68 3my0G1 TRP 221 H 0.20 0.72 0.07 -0.55 7.97 8.42 3my0G1 TRP 221 HA -0.06 0.16 0.68 -0.75 4.62 4.65 3my0G1 TRP 221 HB2 0.01 0.00 -0.17 -0.04 3.23 3.03 3my0G1 TRP 221 HB3 0.03 0.00 -0.06 -0.04 3.23 3.16 3my0G1 TRP 221 HD1 0.02 0.06 -0.12 -0.04 7.22 7.13 3my0G1 TRP 221 HE1 0.19 0.09 0.05 -0.04 10.20 10.49 3my0G1 TRP 221 HE3 0.07 -0.04 -0.14 -0.04 7.59 7.44 3my0G1 TRP 221 HZ2 0.07 0.04 -0.03 -0.04 7.44 7.48 3my0G1 TRP 221 HZ3 0.04 -0.01 -0.05 -0.04 7.13 7.07 3my0G1 TRP 221 HH2 -0.02 -0.00 -0.04 -0.04 7.19 7.08 3my0G1 HIS 222 H -0.86 0.21 0.02 -0.55 8.41 7.24 3my0G1 HIS 222 HA -0.47 0.04 0.33 -0.75 4.63 3.77 3my0G1 HIS 222 HB2 -2.42 0.04 -0.16 -0.04 3.26 0.68 3my0G1 HIS 222 HB3 -0.75 0.02 0.21 -0.04 3.20 2.64 3my0G1 HIS 222 HD2 -0.32 -0.00 0.03 -0.04 6.97 6.63 3my0G1 HIS 222 HE1 -0.06 0.04 0.01 -0.04 7.75 7.70 3my0G1 GLY 223 H -0.15 0.06 -0.27 -0.55 8.43 7.53 3my0G1 GLY 223 HA2 -0.05 -0.02 0.29 -0.51 4.01 3.72 3my0G1 GLY 223 HA3 -0.05 0.10 0.35 -0.51 4.01 3.90 3my0G1 GLU 224 H 0.06 0.53 -0.43 -0.55 8.60 8.22 3my0G1 GLU 224 HA 0.06 0.07 0.56 -0.75 4.29 4.21 3my0G1 GLU 224 HB2 0.26 0.03 -0.06 -0.04 2.09 2.28 3my0G1 GLU 224 HB3 0.11 -0.06 0.13 -0.04 1.99 2.13 3my0G1 GLU 224 HG2 0.10 -0.06 0.04 -0.04 2.34 2.39 3my0G1 GLU 224 HG3 0.10 0.11 0.11 -0.04 2.34 2.62 3my0G1 SER 225 H 0.06 0.11 0.21 -0.55 8.46 8.30 3my0G1 SER 225 HA -0.00 0.32 0.97 -0.75 4.49 5.02 3my0G1 SER 225 HB2 0.08 -0.05 0.16 -0.04 3.95 4.10 3my0G1 SER 225 HB3 -0.12 -0.02 -0.01 -0.04 3.93 3.74 3my0G1 VAL 226 H -0.02 0.83 0.38 -0.55 8.24 8.88 3my0G1 VAL 226 HA 0.09 0.12 0.88 -0.75 4.13 4.46 3my0G1 VAL 226 HB 0.01 0.12 -0.00 -0.04 2.12 2.21 3my0G1 VAL 226 HG13 0.08 -0.01 -0.32 -0.04 0.97 0.68 3my0G1 VAL 226 HG23 0.05 -0.01 -0.33 -0.04 0.95 0.62 3my0G1 ALA 227 H 0.09 0.64 0.02 -0.55 8.40 8.60 3my0G1 ALA 227 HA 0.12 0.23 0.95 -0.75 4.34 4.89 3my0G1 ALA 227 HB3 0.16 -0.03 0.03 -0.04 1.41 1.53 3my0G1 VAL 228 H 0.04 0.67 0.25 -0.55 8.24 8.65 3my0G1 VAL 228 HA -0.06 0.25 0.98 -0.75 4.13 4.55 3my0G1 VAL 228 HB -0.25 -0.06 0.08 -0.04 2.12 1.84 3my0G1 VAL 228 HG13 -0.96 -0.00 -0.25 -0.04 0.97 -0.29 3my0G1 VAL 228 HG23 -0.14 0.01 -0.31 -0.04 0.95 0.47 3my0G1 LYS 229 H 0.04 0.68 0.25 -0.55 8.42 8.84 3my0G1 LYS 229 HA 0.01 0.18 0.97 -0.75 4.32 4.73 3my0G1 LYS 229 HB2 -0.01 -0.05 0.06 -0.04 1.87 1.83 3my0G1 LYS 229 HB3 0.09 -0.03 0.21 -0.04 1.79 2.02 3my0G1 LYS 229 HG2 -0.59 0.02 -0.37 -0.04 1.46 0.48 3my0G1 LYS 229 HG3 -0.15 0.02 -0.18 -0.04 1.46 1.12 3my0G1 LYS 229 HD2 -0.18 -0.03 -0.09 -0.04 1.69 1.35 3my0G1 LYS 229 HD3 -0.43 -0.03 -0.09 -0.04 1.68 1.10 3my0G1 LYS 229 HE2 -0.92 0.08 -0.17 -0.04 2.99 1.93 3my0G1 LYS 229 HE3 -0.37 -0.03 -0.24 -0.04 2.99 2.31 3my0G1 ILE 230 H 0.03 0.55 0.32 -0.55 8.25 8.60 3my0G1 ILE 230 HA 0.15 0.23 0.91 -0.75 4.18 4.71 3my0G1 ILE 230 HB 0.12 -0.08 0.18 -0.04 1.89 2.06 3my0G1 ILE 230 HG12 -0.98 0.02 -0.12 -0.04 1.49 0.36 3my0G1 ILE 230 HG13 -0.37 0.02 -0.14 -0.04 1.21 0.68 3my0G1 ILE 230 HG23 0.24 0.02 -0.09 -0.04 0.93 1.05 3my0G1 ILE 230 HD13 -0.25 -0.01 -0.07 -0.04 0.88 0.51 3my0G1 PHE 231 H 0.51 0.54 0.28 -0.55 8.34 9.11 3my0G1 PHE 231 HA 0.18 0.17 0.58 -0.75 4.62 4.80 3my0G1 PHE 231 HB2 0.08 -0.01 0.12 -0.04 3.15 3.30 3my0G1 PHE 231 HB3 0.15 0.05 -0.05 -0.04 3.06 3.16 3my0G1 PHE 231 HD2 0.28 0.13 -0.02 -0.04 7.28 7.63 3my0G1 PHE 231 HE2 0.30 -0.03 -0.10 -0.04 7.38 7.51 3my0G1 PHE 231 HZ 0.22 -0.04 -0.12 -0.04 7.32 7.33 3my0G1 SER 232 H 0.19 0.42 0.12 -0.55 8.46 8.64 3my0G1 SER 232 HA 0.10 0.16 0.69 -0.75 4.49 4.68 3my0G1 SER 232 HB2 0.06 -0.11 0.10 -0.04 3.95 3.95 3my0G1 SER 232 HB3 0.04 0.06 -0.03 -0.04 3.93 3.96 3my0G1 SER 233 H 0.06 0.20 0.18 -0.55 8.46 8.35 3my0G1 SER 233 HA 0.04 0.11 0.43 -0.75 4.49 4.31 3my0G1 SER 233 HB2 0.03 0.00 0.12 -0.04 3.95 4.06 3my0G1 SER 233 HB3 0.02 0.05 0.12 -0.04 3.93 4.08 3my0G1 ARG 234 H 0.06 0.09 -0.16 -0.55 8.46 7.89 3my0G1 ARG 234 HA 0.05 0.13 0.55 -0.75 4.34 4.33 3my0G1 ASP 235 H 0.14 0.49 -0.54 -0.55 8.40 7.94 3my0G1 ASP 235 HA 0.16 0.16 0.87 -0.75 4.63 5.06 3my0G1 ASP 235 HB2 0.20 0.05 -0.08 -0.04 2.71 2.84 3my0G1 ASP 235 HB3 0.38 0.09 0.12 -0.04 2.70 3.26 3my0G1 GLU 236 H 0.11 0.37 -0.07 -0.55 8.60 8.46 3my0G1 GLU 236 HA 0.08 0.06 0.38 -0.75 4.29 4.06 3my0G1 GLU 236 HB2 0.05 0.03 0.11 -0.04 2.09 2.23 3my0G1 GLU 236 HB3 0.03 0.01 0.01 -0.04 1.99 2.00 3my0G1 GLU 236 HG2 -0.05 -0.01 0.03 -0.04 2.34 2.27 3my0G1 GLU 236 HG3 0.04 0.06 0.17 -0.04 2.34 2.56 3my0G1 GLN 237 H 0.11 0.14 -0.30 -0.55 8.47 7.88 3my0G1 GLN 237 HA 0.17 0.09 0.45 -0.75 4.36 4.32 3my0G1 GLN 237 HB2 0.09 0.01 0.04 -0.04 2.15 2.24 3my0G1 GLN 237 HB3 0.10 -0.02 0.02 -0.04 2.02 2.08 3my0G1 GLN 237 HG2 0.04 -0.04 -0.05 -0.04 2.40 2.30 3my0G1 GLN 237 HG3 0.04 0.07 -0.00 -0.04 2.39 2.46 3my0G1 GLN 237 HE21 -0.01 0.03 -0.03 -0.04 6.97 6.91 3my0G1 GLN 237 HE22 0.01 0.03 -0.03 -0.04 7.69 7.66 3my0G1 SER 238 H 0.17 0.31 -0.24 -0.55 8.46 8.15 3my0G1 SER 238 HA 0.11 0.25 0.65 -0.75 4.49 4.75 3my0G1 SER 238 HB2 0.39 0.20 0.18 -0.04 3.95 4.68 3my0G1 SER 238 HB3 0.34 -0.10 0.02 -0.04 3.93 4.15 3my0G1 TRP 239 H -0.05 0.33 -0.09 -0.55 7.97 7.61 3my0G1 TRP 239 HA -0.67 0.00 0.37 -0.75 4.62 3.56 3my0G1 TRP 239 HB2 -1.83 -0.02 0.05 -0.04 3.23 1.40 3my0G1 TRP 239 HB3 -0.39 0.21 0.14 -0.04 3.23 3.16 3my0G1 TRP 239 HD1 -0.14 -0.03 -0.27 -0.04 7.22 6.74 3my0G1 TRP 239 HE1 0.13 0.32 0.10 -0.04 10.20 10.71 3my0G1 TRP 239 HE3 0.06 0.09 -0.13 -0.04 7.59 7.57 3my0G1 TRP 239 HZ2 0.06 -0.01 -0.20 -0.04 7.44 7.24 3my0G1 TRP 239 HZ3 0.21 -0.01 -0.07 -0.04 7.13 7.22 3my0G1 TRP 239 HH2 0.09 0.01 -0.11 -0.04 7.19 7.14 3my0G1 PHE 240 H 0.33 0.33 -0.29 -0.55 8.34 8.15 3my0G1 PHE 240 HA -0.52 0.07 0.41 -0.75 4.62 3.83 3my0G1 PHE 240 HB2 0.23 0.05 0.09 -0.04 3.15 3.49 3my0G1 PHE 240 HB3 0.03 0.08 0.16 -0.04 3.06 3.29 3my0G1 PHE 240 HD2 0.04 -0.00 -0.04 -0.04 7.28 7.25 3my0G1 PHE 240 HE2 0.01 0.01 -0.04 -0.04 7.38 7.32 3my0G1 PHE 240 HZ -0.01 0.02 -0.03 -0.04 7.32 7.26 3my0G1 ARG 241 H 0.05 0.50 -0.05 -0.55 8.46 8.42 3my0G1 ARG 241 HA -0.21 0.01 0.39 -0.75 4.34 3.77 3my0G1 ARG 241 HB2 0.03 -0.03 0.23 -0.04 1.90 2.08 3my0G1 ARG 241 HB3 -0.03 0.08 0.27 -0.04 1.80 2.08 3my0G1 ARG 241 HG2 -0.05 0.12 -0.05 -0.04 1.67 1.65 3my0G1 ARG 241 HG3 -0.11 0.05 -0.15 -0.04 1.67 1.42 3my0G1 ARG 241 HD2 -0.14 -0.10 0.05 -0.04 3.22 2.99 3my0G1 ARG 241 HD3 -0.05 -0.12 0.05 -0.04 3.22 3.06 3my0G1 GLU 242 H -0.15 0.53 -0.25 -0.55 8.60 8.18 3my0G1 GLU 242 HA -0.21 0.04 0.25 -0.75 4.29 3.62 3my0G1 GLU 242 HB2 0.03 0.09 -0.00 -0.04 2.09 2.17 3my0G1 GLU 242 HB3 -0.01 0.08 -0.01 -0.04 1.99 2.01 3my0G1 GLU 242 HG2 0.34 0.08 -0.07 -0.04 2.34 2.65 3my0G1 GLU 242 HG3 -0.05 -0.06 -0.01 -0.04 2.34 2.17 3my0G1 THR 243 H -0.51 0.52 -0.26 -0.55 8.28 7.47 3my0G1 THR 243 HA -0.33 -0.01 0.54 -0.75 4.39 3.84 3my0G1 THR 243 HB -0.99 0.11 0.19 -0.04 4.32 3.58 3my0G1 THR 243 HG23 -0.42 -0.02 -0.12 -0.04 1.22 0.62 3my0G1 GLU 244 H -0.53 0.62 -0.12 -0.55 8.60 8.03 3my0G1 GLU 244 HA -0.35 0.01 0.40 -0.75 4.29 3.59 3my0G1 GLU 244 HB2 -0.69 0.09 0.11 -0.04 2.09 1.56 3my0G1 GLU 244 HB3 -0.34 0.08 0.13 -0.04 1.99 1.81 3my0G1 GLU 244 HG2 -0.23 -0.01 -0.07 -0.04 2.34 1.98 3my0G1 GLU 244 HG3 -0.34 -0.04 -0.02 -0.04 2.34 1.90 3my0G1 ILE 245 H -0.30 0.63 -0.10 -0.55 8.25 7.94 3my0G1 ILE 245 HA -0.21 0.01 0.29 -0.75 4.18 3.51 3my0G1 ILE 245 HB -0.37 0.04 0.12 -0.04 1.89 1.64 3my0G1 ILE 245 HG12 -0.19 -0.05 -0.05 -0.04 1.49 1.16 3my0G1 ILE 245 HG13 -0.22 0.15 0.05 -0.04 1.21 1.15 3my0G1 ILE 245 HG23 -0.34 -0.01 -0.17 -0.04 0.93 0.37 3my0G1 ILE 245 HD13 -0.19 0.01 -0.09 -0.04 0.88 0.57 3my0G1 TYR 246 H -0.33 0.46 -0.21 -0.55 8.29 7.67 3my0G1 TYR 246 HA -0.34 0.07 0.35 -0.75 4.56 3.90 3my0G1 TYR 246 HB2 -0.88 0.16 0.13 -0.04 3.06 2.42 3my0G1 TYR 246 HB3 -1.93 -0.05 -0.06 -0.04 2.98 0.90 3my0G1 TYR 246 HD2 -0.22 0.07 -0.01 -0.04 7.15 6.94 3my0G1 TYR 246 HE2 0.03 -0.03 -0.05 -0.04 6.85 6.77 3my0G1 ASN 247 H -0.28 0.41 -0.35 -0.55 8.53 7.77 3my0G1 ASN 247 HA -0.10 0.06 0.71 -0.75 4.76 4.67 3my0G1 ASN 247 HB2 -0.18 0.21 0.14 -0.04 2.88 3.00 3my0G1 ASN 247 HB3 -0.09 -0.07 0.01 -0.04 2.79 2.59 3my0G1 ASN 247 HD21 -0.01 -0.10 -0.01 -0.04 7.03 6.87 3my0G1 ASN 247 HD22 -0.13 0.01 -0.05 -0.04 7.74 7.54 3my0G1 THR 248 H -0.16 0.25 -0.29 -0.55 8.28 7.53 3my0G1 THR 248 HA -0.08 0.11 0.68 -0.75 4.39 4.35 3my0G1 THR 248 HB -0.15 0.21 0.09 -0.04 4.32 4.43 3my0G1 THR 248 HG23 -0.09 -0.04 -0.19 -0.04 1.22 0.86 3my0G1 VAL 249 H -0.11 0.53 0.12 -0.55 8.24 8.24 3my0G1 VAL 249 HA -0.06 0.11 0.83 -0.75 4.13 4.26 3my0G1 VAL 249 HB -0.12 0.05 0.05 -0.04 2.12 2.05 3my0G1 VAL 249 HG13 -0.08 0.01 -0.19 -0.04 0.97 0.66 3my0G1 VAL 249 HG23 -0.12 -0.02 -0.11 -0.04 0.95 0.66 3my0G1 LEU 250 H -0.03 0.24 0.12 -0.55 8.37 8.15 3my0G1 LEU 250 HA 0.02 -0.02 0.52 -0.75 4.35 4.13 3my0G1 LEU 250 HB2 0.01 -0.02 0.09 -0.04 1.64 1.68 3my0G1 LEU 250 HB3 0.01 0.19 0.19 -0.04 1.64 1.99 3my0G1 LEU 250 HG 0.05 -0.00 -0.12 -0.04 1.64 1.53 3my0G1 LEU 250 HD13 0.03 -0.03 0.01 -0.04 0.93 0.90 3my0G1 LEU 250 HD23 0.03 0.03 -0.00 -0.04 0.89 0.90 3my0G1 LEU 251 H 0.07 0.08 0.25 -0.55 8.37 8.23 3my0G1 LEU 251 HA 0.16 0.25 0.67 -0.75 4.35 4.69 3my0G1 LEU 251 HB2 -0.00 0.13 -0.21 -0.04 1.64 1.51 3my0G1 LEU 251 HB3 0.10 -0.05 -0.08 -0.04 1.64 1.57 3my0G1 LEU 251 HG 0.11 -0.08 -0.07 -0.04 1.64 1.57 3my0G1 LEU 251 HD13 0.06 0.02 -0.08 -0.04 0.93 0.89 3my0G1 LEU 251 HD23 -0.15 -0.02 -0.13 -0.04 0.89 0.55 3my0G1 ARG 252 H 0.11 -0.02 0.07 -0.55 8.46 8.07 3my0G1 ARG 252 HA 0.12 0.00 0.33 -0.75 4.34 4.04 3my0G1 ARG 252 HB2 0.08 0.01 0.12 -0.04 1.90 2.07 3my0G1 ARG 252 HB3 0.07 0.01 0.07 -0.04 1.80 1.91 3my0G1 ARG 252 HG2 0.07 -0.02 -0.05 -0.04 1.67 1.63 3my0G1 ARG 252 HG3 0.06 -0.01 -0.04 -0.04 1.67 1.64 3my0G1 HIS 253 H 0.11 0.27 0.17 -0.55 8.41 8.42 3my0G1 HIS 253 HA -0.10 0.03 0.46 -0.75 4.63 4.26 3my0G1 HIS 253 HB2 -0.55 0.33 -0.21 -0.04 3.26 2.79 3my0G1 HIS 253 HB3 -0.16 -0.04 -0.08 -0.04 3.20 2.87 3my0G1 HIS 253 HD2 -0.60 0.11 0.02 -0.04 6.97 6.45 3my0G1 HIS 253 HE1 -0.05 0.00 -0.10 -0.04 7.75 7.57 3my0G1 ASP 254 H -0.47 0.18 0.12 -0.55 8.40 7.68 3my0G1 ASP 254 HA -0.00 0.06 0.41 -0.75 4.63 4.34 3my0G1 ASP 254 HB2 -0.22 -0.01 0.12 -0.04 2.71 2.56 3my0G1 ASP 254 HB3 -0.05 0.03 0.01 -0.04 2.70 2.65 3my0G1 ASN 255 H 0.62 0.04 -0.40 -0.55 8.53 8.24 3my0G1 ASN 255 HA 0.09 0.33 0.82 -0.75 4.76 5.24 3my0G1 ASN 255 HB2 0.20 -0.01 0.00 -0.04 2.88 3.03 3my0G1 ASN 255 HB3 0.10 -0.01 0.21 -0.04 2.79 3.06 3my0G1 ASN 255 HD21 0.03 -0.12 -0.03 -0.04 7.03 6.87 3my0G1 ASN 255 HD22 0.04 0.67 0.06 -0.04 7.74 8.47 3my0G1 ILE 256 H 0.17 0.62 -0.33 -0.55 8.25 8.16 3my0G1 ILE 256 HA 0.14 0.04 0.66 -0.75 4.18 4.27 3my0G1 ILE 256 HB 0.16 0.02 0.01 -0.04 1.89 2.04 3my0G1 ILE 256 HG12 0.12 -0.04 0.08 -0.04 1.49 1.62 3my0G1 ILE 256 HG13 0.06 -0.07 -0.40 -0.04 1.21 0.76 3my0G1 ILE 256 HG23 0.18 0.04 -0.13 -0.04 0.93 0.97 3my0G1 ILE 256 HD13 0.21 0.03 -0.08 -0.04 0.88 0.99 3my0G1 LEU 257 H 0.17 0.67 0.12 -0.55 8.37 8.79 3my0G1 LEU 257 HA 0.20 -0.04 0.27 -0.75 4.35 4.03 3my0G1 LEU 257 HB2 0.16 -0.00 -0.12 -0.04 1.64 1.64 3my0G1 LEU 257 HB3 0.21 -0.04 0.10 -0.04 1.64 1.86 3my0G1 LEU 257 HG 0.07 0.13 -0.21 -0.04 1.64 1.59 3my0G1 LEU 257 HD13 0.21 0.02 -0.06 -0.04 0.93 1.05 3my0G1 LEU 257 HD23 0.11 -0.03 -0.07 -0.04 0.89 0.86 3my0G1 GLY 258 H 0.13 0.05 0.20 -0.55 8.43 8.26 3my0G1 GLY 258 HA2 -0.04 0.10 0.55 -0.51 4.01 4.11 3my0G1 GLY 258 HA3 -0.48 -0.00 0.34 -0.51 4.01 3.36 3my0G1 PHE 259 H -0.07 0.19 0.21 -0.55 8.34 8.12 3my0G1 PHE 259 HA -0.47 0.07 0.71 -0.75 4.62 4.18 3my0G1 PHE 259 HB2 -1.38 0.03 0.03 -0.04 3.15 1.79 3my0G1 PHE 259 HB3 -0.30 0.03 0.12 -0.04 3.06 2.87 3my0G1 PHE 259 HD2 -0.41 -0.01 -0.12 -0.04 7.28 6.71 3my0G1 PHE 259 HE2 -0.08 0.01 -0.20 -0.04 7.38 7.06 3my0G1 PHE 259 HZ -0.07 -0.05 -0.20 -0.04 7.32 6.96 3my0G1 ILE 260 H -0.72 0.49 0.39 -0.55 8.25 7.87 3my0G1 ILE 260 HA -0.42 0.20 0.99 -0.75 4.18 4.20 3my0G1 ILE 260 HB -0.34 0.03 -0.16 -0.04 1.89 1.38 3my0G1 ILE 260 HG12 -0.20 0.06 -0.19 -0.04 1.49 1.12 3my0G1 ILE 260 HG13 -0.29 -0.10 -0.43 -0.04 1.21 0.35 3my0G1 ILE 260 HG23 -0.37 -0.01 -0.22 -0.04 0.93 0.29 3my0G1 ILE 260 HD13 -0.06 0.01 -0.26 -0.04 0.88 0.53 3my0G1 ALA 261 H -0.78 0.50 0.36 -0.55 8.40 7.94 3my0G1 ALA 261 HA -0.52 0.12 0.57 -0.75 4.34 3.76 3my0G1 ALA 261 HB3 -0.18 0.03 -0.12 -0.04 1.41 1.10 3my0G1 SER 262 H 0.07 0.29 0.16 -0.55 8.46 8.44 3my0G1 SER 262 HA 0.32 0.19 0.83 -0.75 4.49 5.07 3my0G1 SER 262 HB2 0.33 0.00 -0.00 -0.04 3.95 4.24 3my0G1 SER 262 HB3 0.18 -0.01 0.10 -0.04 3.93 4.17 3my0G1 ASP 263 H 0.51 0.59 0.32 -0.55 8.40 9.27 3my0G1 ASP 263 HA 0.18 0.19 0.91 -0.75 4.63 5.16 3my0G1 ASP 263 HB2 0.13 -0.08 -0.26 -0.04 2.71 2.45 3my0G1 ASP 263 HB3 -0.09 -0.01 -0.23 -0.04 2.70 2.34 3my0G1 MET 264 H -0.00 0.26 0.09 -0.55 8.47 8.27 3my0G1 MET 264 HA -0.21 0.26 0.84 -0.75 4.52 4.64 3my0G1 MET 264 HB2 -0.03 -0.03 -0.12 -0.04 2.15 1.93 3my0G1 MET 264 HB3 -0.01 -0.03 0.14 -0.04 2.03 2.09 3my0G1 MET 264 HG2 -0.13 0.11 -0.22 -0.04 2.63 2.35 3my0G1 MET 264 HG3 -0.24 0.02 -0.12 -0.04 2.56 2.18 3my0G1 MET 264 HE3 -0.06 -0.01 -0.06 -0.04 2.10 1.93 3my0G1 THR 265 H -0.37 0.45 0.07 -0.55 8.28 7.87 3my0G1 THR 265 HA -0.23 0.22 0.82 -0.75 4.39 4.45 3my0G1 THR 265 HB -0.86 0.03 0.00 -0.04 4.32 3.45 3my0G1 THR 265 HG23 -0.32 0.02 0.01 -0.04 1.22 0.88 3my0G1 GLN 272 HA -0.01 -0.06 0.33 -0.75 4.36 3.86 3my0G1 LEU 273 H -0.00 0.17 0.17 -0.55 8.37 8.15 3my0G1 LEU 273 HA -0.44 0.22 0.85 -0.75 4.35 4.23 3my0G1 LEU 273 HB2 -0.39 -0.10 0.17 -0.04 1.64 1.28 3my0G1 LEU 273 HB3 -2.18 0.05 0.02 -0.04 1.64 -0.52 3my0G1 LEU 273 HG -0.77 -0.05 0.01 -0.04 1.64 0.79 3my0G1 LEU 273 HD13 -1.90 0.02 -0.07 -0.04 0.93 -1.06 3my0G1 LEU 273 HD23 -0.27 -0.01 -0.10 -0.04 0.89 0.47 3my0G1 TRP 274 H 0.29 0.72 0.38 -0.55 7.97 8.81 3my0G1 TRP 274 HA 0.27 0.30 1.04 -0.75 4.62 5.48 3my0G1 TRP 274 HB2 0.12 -0.06 -0.00 -0.04 3.23 3.25 3my0G1 TRP 274 HB3 0.13 -0.01 -0.17 -0.04 3.23 3.14 3my0G1 TRP 274 HD1 0.04 0.01 -0.81 -0.04 7.22 6.42 3my0G1 TRP 274 HE1 -0.03 0.00 -0.15 -0.04 10.20 9.98 3my0G1 TRP 274 HE3 0.01 -0.07 -0.15 -0.04 7.59 7.34 3my0G1 TRP 274 HZ2 -0.14 -0.01 -0.08 -0.04 7.44 7.17 3my0G1 TRP 274 HZ3 -0.04 0.14 -0.05 -0.04 7.13 7.14 3my0G1 TRP 274 HH2 -0.12 0.07 -0.07 -0.04 7.19 7.03 3my0G1 LEU 275 H 0.45 0.63 0.30 -0.55 8.37 9.20 3my0G1 LEU 275 HA 0.38 0.19 0.86 -0.75 4.35 5.02 3my0G1 LEU 275 HB2 0.85 -0.01 0.03 -0.04 1.64 2.47 3my0G1 LEU 275 HB3 0.40 -0.10 0.18 -0.04 1.64 2.08 3my0G1 LEU 275 HG 0.47 -0.08 -0.03 -0.04 1.64 1.95 3my0G1 LEU 275 HD13 0.22 0.01 -0.14 -0.04 0.93 0.98 3my0G1 LEU 275 HD23 0.26 0.05 0.03 -0.04 0.89 1.19 3my0G1 ILE 276 H 0.05 0.76 0.29 -0.55 8.25 8.79 3my0G1 ILE 276 HA 0.01 0.33 1.13 -0.75 4.18 4.89 3my0G1 ILE 276 HB -0.11 -0.09 0.10 -0.04 1.89 1.75 3my0G1 ILE 276 HG12 0.08 0.04 -0.15 -0.04 1.49 1.42 3my0G1 ILE 276 HG13 0.19 -0.10 -0.37 -0.04 1.21 0.89 3my0G1 ILE 276 HG23 -0.08 0.02 -0.17 -0.04 0.93 0.66 3my0G1 ILE 276 HD13 0.20 -0.01 -0.20 -0.04 0.88 0.84 3my0G1 THR 277 H -0.02 0.67 0.37 -0.55 8.28 8.75 3my0G1 THR 277 HA -0.22 0.03 0.95 -0.75 4.39 4.39 3my0G1 THR 277 HB -0.07 0.23 0.18 -0.04 4.32 4.62 3my0G1 THR 277 HG23 -0.00 -0.04 -0.30 -0.04 1.22 0.84 3my0G1 HIS 278 H -0.22 0.44 0.18 -0.55 8.41 8.27 3my0G1 HIS 278 HA -0.06 0.10 0.58 -0.75 4.63 4.50 3my0G1 HIS 278 HB2 -0.09 -0.09 0.10 -0.04 3.26 3.15 3my0G1 HIS 278 HB3 -0.24 0.05 0.06 -0.04 3.20 3.03 3my0G1 HIS 278 HD2 -0.05 0.02 -0.07 -0.04 6.97 6.83 3my0G1 HIS 278 HE1 0.03 0.02 0.01 -0.04 7.75 7.76 3my0G1 TYR 279 H 0.02 0.31 0.20 -0.55 8.29 8.27 3my0G1 TYR 279 HA -0.11 0.14 0.80 -0.75 4.56 4.64 3my0G1 TYR 279 HB2 -0.02 -0.10 -0.56 -0.04 3.06 2.34 3my0G1 TYR 279 HB3 -0.05 0.07 -0.18 -0.04 2.98 2.78 3my0G1 TYR 279 HD2 -0.01 -0.02 -0.17 -0.04 7.15 6.91 3my0G1 TYR 279 HE2 0.01 -0.01 -0.12 -0.04 6.85 6.69 3my0G1 HIS 280 H -0.52 0.24 0.01 -0.55 8.41 7.60 3my0G1 HIS 280 HA -0.22 0.09 0.82 -0.75 4.63 4.57 3my0G1 HIS 280 HB2 -0.16 -0.01 0.00 -0.04 3.26 3.06 3my0G1 HIS 280 HB3 -0.14 0.18 -0.10 -0.04 3.20 3.10 3my0G1 HIS 280 HD2 -0.06 -0.07 0.02 -0.04 6.97 6.82 3my0G1 HIS 280 HE1 0.09 -0.02 -0.15 -0.04 7.75 7.63 3my0G1 GLU 281 H -0.18 0.17 0.08 -0.55 8.60 8.13 3my0G1 GLU 281 HA -0.25 0.06 0.24 -0.75 4.29 3.59 3my0G1 GLU 281 HB2 -0.19 -0.02 0.10 -0.04 2.09 1.94 3my0G1 GLU 281 HB3 -0.02 0.07 -0.04 -0.04 1.99 1.96 3my0G1 GLU 281 HG2 0.24 0.01 -0.00 -0.04 2.34 2.55 3my0G1 GLU 281 HG3 0.05 -0.03 0.04 -0.04 2.34 2.36 3my0G1 HIS 282 H -0.15 0.10 -0.15 -0.55 8.41 7.67 3my0G1 HIS 282 HA 0.06 0.06 0.31 -0.75 4.63 4.31 3my0G1 HIS 282 HB2 -0.09 0.28 0.03 -0.04 3.26 3.44 3my0G1 HIS 282 HB3 0.06 -0.02 -0.01 -0.04 3.20 3.19 3my0G1 HIS 282 HD2 0.10 0.02 -0.07 -0.04 6.97 6.97 3my0G1 HIS 282 HE1 0.04 0.04 0.01 -0.04 7.75 7.81 3my0G1 GLY 283 H -0.05 0.21 -0.57 -0.55 8.43 7.48 3my0G1 GLY 283 HA2 -0.03 0.02 0.28 -0.51 4.01 3.77 3my0G1 GLY 283 HA3 0.03 0.07 0.54 -0.51 4.01 4.15 3my0G1 SER 284 H 0.04 0.07 0.19 -0.55 8.46 8.21 3my0G1 SER 284 HA -0.01 0.20 0.72 -0.75 4.49 4.65 3my0G1 SER 284 HB2 0.02 0.10 0.32 -0.04 3.95 4.34 3my0G1 SER 284 HB3 -0.01 0.13 0.16 -0.04 3.93 4.17 3my0G1 LEU 285 H -0.00 0.75 0.33 -0.55 8.37 8.89 3my0G1 LEU 285 HA 0.05 0.06 0.37 -0.75 4.35 4.07 3my0G1 LEU 285 HB2 -0.03 0.03 0.03 -0.04 1.64 1.63 3my0G1 LEU 285 HB3 0.01 0.04 0.20 -0.04 1.64 1.85 3my0G1 LEU 285 HG 0.07 0.01 -0.14 -0.04 1.64 1.53 3my0G1 LEU 285 HD13 0.04 0.00 -0.07 -0.04 0.93 0.86 3my0G1 LEU 285 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.76 3my0G1 TYR 286 H 0.13 0.27 -0.22 -0.55 8.29 7.93 3my0G1 TYR 286 HA -0.12 0.10 0.31 -0.75 4.56 4.10 3my0G1 TYR 286 HB2 -0.01 -0.13 -0.17 -0.04 3.06 2.72 3my0G1 TYR 286 HB3 -0.04 -0.07 0.00 -0.04 2.98 2.83 3my0G1 TYR 286 HD2 0.04 -0.04 -0.13 -0.04 7.15 6.98 3my0G1 TYR 286 HE2 0.12 0.03 -0.06 -0.04 6.85 6.90 3my0G1 ASP 287 H 0.14 -0.01 -0.29 -0.55 8.40 7.69 3my0G1 ASP 287 HA -0.04 0.03 0.35 -0.75 4.63 4.22 3my0G1 ASP 287 HB2 0.08 0.21 0.18 -0.04 2.71 3.13 3my0G1 ASP 287 HB3 0.05 0.09 0.06 -0.04 2.70 2.85 3my0G1 PHE 288 H 0.13 0.48 -0.19 -0.55 8.34 8.21 3my0G1 PHE 288 HA -0.11 0.02 0.38 -0.75 4.62 4.15 3my0G1 PHE 288 HB2 -0.07 0.09 -0.01 -0.04 3.15 3.11 3my0G1 PHE 288 HB3 -0.08 -0.00 0.10 -0.04 3.06 3.03 3my0G1 PHE 288 HD2 -0.21 0.03 -0.09 -0.04 7.28 6.97 3my0G1 PHE 288 HE2 -0.37 -0.02 -0.09 -0.04 7.38 6.86 3my0G1 PHE 288 HZ -0.14 -0.03 -0.06 -0.04 7.32 7.05 3my0G1 LEU 289 H -0.00 0.67 -0.06 -0.55 8.37 8.42 3my0G1 LEU 289 HA -0.16 0.14 0.35 -0.75 4.35 3.92 3my0G1 LEU 289 HB2 -0.18 0.03 0.04 -0.04 1.64 1.49 3my0G1 LEU 289 HB3 0.05 0.02 0.03 -0.04 1.64 1.70 3my0G1 LEU 289 HG 0.09 0.04 -0.01 -0.04 1.64 1.72 3my0G1 LEU 289 HD13 0.13 0.02 -0.25 -0.04 0.93 0.79 3my0G1 LEU 289 HD23 0.07 -0.01 -0.07 -0.04 0.89 0.83 3my0G1 GLN 290 H -0.34 0.26 -0.54 -0.55 8.47 7.30 3my0G1 GLN 290 HA -0.35 -0.03 0.48 -0.75 4.36 3.71 3my0G1 GLN 290 HB2 -0.44 0.06 0.15 -0.04 2.15 1.89 3my0G1 GLN 290 HB3 -0.20 0.05 0.12 -0.04 2.02 1.95 3my0G1 GLN 290 HG2 -0.15 -0.07 -0.00 -0.04 2.40 2.14 3my0G1 GLN 290 HG3 -0.17 -0.00 0.03 -0.04 2.39 2.20 3my0G1 GLN 290 HE21 -0.08 -0.04 -0.04 -0.04 6.97 6.77 3my0G1 GLN 290 HE22 -0.07 0.00 0.00 -0.04 7.69 7.58 3my0G1 ARG 291 H -0.22 0.31 -0.03 -0.55 8.46 7.97 3my0G1 ARG 291 HA -0.13 0.07 0.56 -0.75 4.34 4.09 3my0G1 GLN 292 H -0.38 0.61 0.10 -0.55 8.47 8.25 3my0G1 GLN 292 HA -0.26 0.03 0.72 -0.75 4.36 4.09 3my0G1 THR 293 H -0.17 0.06 0.20 -0.55 8.28 7.82 3my0G1 THR 293 HA -0.12 0.36 0.83 -0.75 4.39 4.71 3my0G1 THR 293 HB -0.08 0.00 0.01 -0.04 4.32 4.21 3my0G1 THR 293 HG23 -0.09 0.03 -0.09 -0.04 1.22 1.03 3my0G1 LEU 294 H -0.07 0.61 0.35 -0.55 8.37 8.71 3my0G1 LEU 294 HA -0.01 0.11 0.88 -0.75 4.35 4.57 3my0G1 LEU 294 HB2 -0.03 0.03 0.03 -0.04 1.64 1.63 3my0G1 LEU 294 HB3 0.01 -0.11 -0.09 -0.04 1.64 1.41 3my0G1 LEU 294 HG -0.04 0.16 -0.22 -0.04 1.64 1.50 3my0G1 LEU 294 HD13 0.02 0.02 -0.11 -0.04 0.93 0.81 3my0G1 LEU 294 HD23 0.15 -0.01 -0.25 -0.04 0.89 0.74 3my0G1 GLU 295 H 0.01 0.16 0.19 -0.55 8.60 8.41 3my0G1 GLU 295 HA -0.00 0.22 0.69 -0.75 4.29 4.45 3my0G1 GLU 295 HB2 0.01 0.11 0.17 -0.04 2.09 2.34 3my0G1 GLU 295 HB3 0.05 -0.06 0.18 -0.04 1.99 2.11 3my0G1 GLU 295 HG2 0.05 -0.18 0.02 -0.04 2.34 2.19 3my0G1 GLU 295 HG3 0.01 0.11 0.11 -0.04 2.34 2.53 3my0G1 PRO 296 HA -0.00 0.10 0.38 -0.51 4.44 4.41 3my0G1 PRO 296 HB2 0.03 0.01 0.09 -0.04 2.28 2.37 3my0G1 PRO 296 HB3 0.00 -0.05 0.10 -0.04 2.02 2.04 3my0G1 PRO 296 HG2 0.00 0.04 0.15 -0.04 2.03 2.19 3my0G1 PRO 296 HG3 -0.01 0.12 0.10 -0.04 2.03 2.20 3my0G1 PRO 296 HD2 0.01 0.06 0.28 -0.04 3.68 3.99 3my0G1 PRO 296 HD3 -0.01 0.38 0.33 -0.04 3.65 4.31 3my0G1 HIS 297 H 0.12 0.15 -0.18 -0.55 8.41 7.95 3my0G1 HIS 297 HA -0.00 0.10 0.42 -0.75 4.63 4.39 3my0G1 HIS 297 HB2 -0.00 0.04 0.09 -0.04 3.26 3.35 3my0G1 HIS 297 HB3 0.00 -0.04 0.06 -0.04 3.20 3.17 3my0G1 HIS 297 HD2 0.01 0.00 -0.17 -0.04 6.97 6.77 3my0G1 HIS 297 HE1 0.00 0.03 -0.01 -0.04 7.75 7.73 3my0G1 LEU 298 H 0.10 0.16 -0.25 -0.55 8.37 7.84 3my0G1 LEU 298 HA -0.00 0.09 0.40 -0.75 4.35 4.08 3my0G1 LEU 298 HB2 0.10 -0.04 0.11 -0.04 1.64 1.77 3my0G1 LEU 298 HB3 0.06 0.08 0.14 -0.04 1.64 1.88 3my0G1 LEU 298 HG 0.13 0.04 -0.15 -0.04 1.64 1.62 3my0G1 LEU 298 HD13 0.04 -0.02 0.06 -0.04 0.93 0.97 3my0G1 LEU 298 HD23 0.15 0.01 0.02 -0.04 0.89 1.02 3my0G1 ALA 299 H 0.01 0.46 -0.17 -0.55 8.40 8.15 3my0G1 ALA 299 HA 0.00 0.06 0.37 -0.75 4.34 4.01 3my0G1 ALA 299 HB3 -0.02 0.04 -0.03 -0.04 1.41 1.36 3my0G1 LEU 300 H -0.05 0.47 -0.27 -0.55 8.37 7.97 3my0G1 LEU 300 HA -0.03 0.00 0.39 -0.75 4.35 3.96 3my0G1 LEU 300 HB2 -0.04 -0.02 0.06 -0.04 1.64 1.60 3my0G1 LEU 300 HB3 -0.12 0.16 0.10 -0.04 1.64 1.74 3my0G1 LEU 300 HG -0.03 0.02 -0.08 -0.04 1.64 1.51 3my0G1 LEU 300 HD13 -0.08 -0.00 -0.27 -0.04 0.93 0.53 3my0G1 LEU 300 HD23 -0.02 -0.01 0.01 -0.04 0.89 0.83 3my0G1 ARG 301 H -0.13 0.42 -0.17 -0.55 8.46 8.02 3my0G1 ARG 301 HA -0.09 -0.00 0.46 -0.75 4.34 3.95 3my0G1 ARG 301 HB2 -0.21 -0.00 0.14 -0.04 1.90 1.78 3my0G1 ARG 301 HB3 -0.09 0.12 0.24 -0.04 1.80 2.03 3my0G1 ARG 301 HG2 -0.05 0.35 -0.02 -0.04 1.67 1.91 3my0G1 ARG 301 HG3 -0.05 -0.15 0.06 -0.04 1.67 1.48 3my0G1 ARG 301 HD2 -0.05 -0.08 0.01 -0.04 3.22 3.06 3my0G1 ARG 301 HD3 -0.02 -0.04 -0.00 -0.04 3.22 3.12 3my0G1 LEU 302 H -0.04 0.60 -0.05 -0.55 8.37 8.34 3my0G1 LEU 302 HA -0.04 -0.05 0.47 -0.75 4.35 3.98 3my0G1 LEU 302 HB2 -0.01 0.15 0.10 -0.04 1.64 1.85 3my0G1 LEU 302 HB3 -0.01 -0.05 -0.14 -0.04 1.64 1.40 3my0G1 LEU 302 HG -0.10 -0.09 -0.11 -0.04 1.64 1.30 3my0G1 LEU 302 HD13 -0.10 0.01 -0.07 -0.04 0.93 0.72 3my0G1 LEU 302 HD23 0.06 0.00 -0.11 -0.04 0.89 0.80 3my0G1 ALA 303 H -0.01 0.52 -0.24 -0.55 8.40 8.12 3my0G1 ALA 303 HA 0.03 0.00 0.42 -0.75 4.34 4.04 3my0G1 ALA 303 HB3 0.02 0.01 0.07 -0.04 1.41 1.47 3my0G1 VAL 304 H 0.01 0.79 -0.09 -0.55 8.24 8.40 3my0G1 VAL 304 HA 0.05 0.01 0.31 -0.75 4.13 3.74 3my0G1 VAL 304 HB -0.00 0.06 0.05 -0.04 2.12 2.19 3my0G1 VAL 304 HG13 -0.01 0.03 0.07 -0.04 0.97 1.02 3my0G1 VAL 304 HG23 0.01 -0.02 -0.03 -0.04 0.95 0.86 3my0G1 SER 305 H 0.02 0.58 -0.13 -0.55 8.46 8.38 3my0G1 SER 305 HA 0.04 0.02 0.40 -0.75 4.49 4.21 3my0G1 SER 305 HB2 0.02 0.06 0.11 -0.04 3.95 4.10 3my0G1 SER 305 HB3 0.00 0.09 0.18 -0.04 3.93 4.17 3my0G1 ALA 306 H 0.08 0.57 -0.13 -0.55 8.40 8.38 3my0G1 ALA 306 HA 0.15 0.00 0.49 -0.75 4.34 4.23 3my0G1 ALA 306 HB3 0.23 0.03 0.06 -0.04 1.41 1.69 3my0G1 ALA 307 H 0.20 0.54 -0.26 -0.55 8.40 8.34 3my0G1 ALA 307 HA -0.17 -0.05 0.41 -0.75 4.34 3.78 3my0G1 ALA 307 HB3 -0.01 0.04 0.05 -0.04 1.41 1.45 3my0G1 CYS 308 H 0.04 0.46 -0.20 -0.55 8.50 8.25 3my0G1 CYS 308 HA -0.00 0.00 0.48 -0.75 4.58 4.31 3my0G1 CYS 308 HB2 0.09 0.14 0.18 -0.04 2.97 3.34 3my0G1 CYS 308 HB3 0.14 -0.06 0.02 -0.04 2.97 3.03 3my0G1 GLY 309 H 0.05 0.51 -0.09 -0.55 8.43 8.35 3my0G1 GLY 309 HA2 -0.11 -0.02 0.36 -0.51 4.01 3.74 3my0G1 GLY 309 HA3 0.05 0.12 0.41 -0.51 4.01 4.08 3my0G1 LEU 310 H -0.04 0.51 -0.09 -0.55 8.37 8.20 3my0G1 LEU 310 HA -0.13 0.02 0.35 -0.75 4.35 3.84 3my0G1 LEU 310 HB2 -0.26 0.06 0.10 -0.04 1.64 1.50 3my0G1 LEU 310 HB3 -0.43 0.05 0.08 -0.04 1.64 1.29 3my0G1 LEU 310 HG -0.93 -0.05 -0.03 -0.04 1.64 0.59 3my0G1 LEU 310 HD13 -0.24 -0.02 0.06 -0.04 0.93 0.70 3my0G1 LEU 310 HD23 -0.61 -0.01 -0.09 -0.04 0.89 0.15 3my0G1 ALA 311 H -0.17 0.66 -0.15 -0.55 8.40 8.20 3my0G1 ALA 311 HA -0.15 -0.15 0.44 -0.75 4.34 3.72 3my0G1 ALA 311 HB3 -0.07 0.03 -0.01 -0.04 1.41 1.32 3my0G1 HIS 312 H -0.04 0.56 -0.22 -0.55 8.41 8.17 3my0G1 HIS 312 HA -0.09 -0.00 0.42 -0.75 4.63 4.20 3my0G1 HIS 312 HB2 -0.45 -0.06 0.09 -0.04 3.26 2.80 3my0G1 HIS 312 HB3 -0.33 0.18 0.14 -0.04 3.20 3.15 3my0G1 HIS 312 HD2 0.02 -0.08 0.01 -0.04 6.97 6.88 3my0G1 HIS 312 HE1 0.04 0.12 -0.11 -0.04 7.75 7.76 3my0G1 LEU 313 H -0.02 0.34 -0.11 -0.55 8.37 8.04 3my0G1 LEU 313 HA -0.08 0.05 0.45 -0.75 4.35 4.02 3my0G1 LEU 313 HB2 0.03 0.03 0.23 -0.04 1.64 1.88 3my0G1 LEU 313 HB3 0.15 0.11 -0.02 -0.04 1.64 1.84 3my0G1 LEU 313 HG 0.08 0.11 -0.01 -0.04 1.64 1.79 3my0G1 LEU 313 HD13 0.20 -0.06 -0.09 -0.04 0.93 0.94 3my0G1 LEU 313 HD23 0.03 -0.00 -0.08 -0.04 0.89 0.80 3my0G1 HIS 314 H 0.06 0.41 -0.07 -0.55 8.41 8.26 3my0G1 HIS 314 HA 0.02 0.07 0.40 -0.75 4.63 4.36 3my0G1 HIS 314 HB2 -0.07 0.04 0.22 -0.04 3.26 3.42 3my0G1 HIS 314 HB3 -0.06 -0.14 0.04 -0.04 3.20 3.00 3my0G1 HIS 314 HD2 -0.02 0.25 0.10 -0.04 6.97 7.25 3my0G1 HIS 314 HE1 -0.10 0.13 0.13 -0.04 7.75 7.87 3my0G1 VAL 315 H -0.01 0.55 -0.16 -0.55 8.24 8.07 3my0G1 VAL 315 HA -0.01 -0.11 0.48 -0.75 4.13 3.73 3my0G1 VAL 315 HB -0.00 -0.06 0.11 -0.04 2.12 2.12 3my0G1 VAL 315 HG13 -0.05 0.03 -0.04 -0.04 0.97 0.87 3my0G1 VAL 315 HG23 0.00 0.01 -0.02 -0.04 0.95 0.90 3my0G1 GLU 316 H -0.11 -0.02 0.24 -0.55 8.60 8.17 3my0G1 GLU 316 HA -0.24 0.36 0.47 -0.75 4.29 4.13 3my0G1 GLU 316 HB2 -0.24 -0.04 0.24 -0.04 2.09 2.01 3my0G1 GLU 316 HB3 -0.51 -0.09 0.15 -0.04 1.99 1.49 3my0G1 GLU 316 HG2 -0.86 0.10 -0.21 -0.04 2.34 1.32 3my0G1 GLU 316 HG3 -0.34 0.03 0.16 -0.04 2.34 2.14 3my0G1 ILE 317 H -0.24 0.67 0.36 -0.55 8.25 8.49 3my0G1 ILE 317 HA -0.10 0.13 0.98 -0.75 4.18 4.43 3my0G1 ILE 317 HB -0.07 -0.01 0.11 -0.04 1.89 1.88 3my0G1 ILE 317 HG12 0.01 -0.07 -0.00 -0.04 1.49 1.39 3my0G1 ILE 317 HG13 -0.08 0.10 -0.21 -0.04 1.21 0.99 3my0G1 ILE 317 HG23 0.03 0.00 -0.11 -0.04 0.93 0.81 3my0G1 ILE 317 HD13 0.03 0.02 -0.02 -0.04 0.88 0.87 3my0G1 PHE 318 H 0.15 0.19 0.15 -0.55 8.34 8.27 3my0G1 PHE 318 HA -0.01 0.10 0.53 -0.75 4.62 4.48 3my0G1 PHE 318 HB2 -0.00 0.02 0.09 -0.04 3.15 3.22 3my0G1 PHE 318 HB3 -0.00 -0.01 -0.02 -0.04 3.06 2.98 3my0G1 PHE 318 HD2 -0.00 0.02 -0.01 -0.04 7.28 7.25 3my0G1 PHE 318 HE2 -0.00 -0.03 -0.03 -0.04 7.38 7.28 3my0G1 PHE 318 HZ 0.00 -0.04 0.00 -0.04 7.32 7.24 3my0G1 GLY 319 H 0.14 0.16 0.13 -0.55 8.43 8.31 3my0G1 GLY 319 HA2 0.06 -0.01 0.28 -0.51 4.01 3.84 3my0G1 GLY 319 HA3 0.06 0.20 0.70 -0.51 4.01 4.46 3my0G1 THR 320 H 0.03 0.12 0.10 -0.55 8.28 7.98 3my0G1 THR 320 HA 0.01 0.07 0.52 -0.75 4.39 4.23 3my0G1 THR 320 HB 0.01 -0.13 0.18 -0.04 4.32 4.35 3my0G1 THR 320 HG23 0.01 0.02 -0.06 -0.04 1.22 1.15 3my0G1 GLN 321 H 0.02 0.05 -0.20 -0.55 8.47 7.80 3my0G1 GLN 321 HA 0.01 0.14 0.11 -0.75 4.36 3.86 3my0G1 GLN 321 HB2 0.02 -0.01 0.11 -0.04 2.15 2.23 3my0G1 GLN 321 HB3 0.02 0.06 0.13 -0.04 2.02 2.19 3my0G1 GLN 321 HG2 0.01 0.01 -0.06 -0.04 2.40 2.32 3my0G1 GLN 321 HG3 0.02 -0.08 0.04 -0.04 2.39 2.33 3my0G1 GLN 321 HE21 0.01 0.00 0.00 -0.04 6.97 6.95 3my0G1 GLN 321 HE22 0.01 -0.02 -0.00 -0.04 7.69 7.64 3my0G1 GLY 322 H -0.00 0.66 -0.35 -0.55 8.43 8.19 3my0G1 GLY 322 HA2 -0.01 0.00 0.03 -0.51 4.01 3.53 3my0G1 GLY 322 HA3 -0.02 0.05 0.04 -0.51 4.01 3.57 3my0G1 LYS 323 H -0.13 0.70 0.34 -0.55 8.42 8.77 3my0G1 LYS 323 HA -0.09 0.05 0.50 -0.75 4.32 4.03 3my0G1 LYS 323 HB2 -0.11 0.04 0.05 -0.04 1.87 1.82 3my0G1 LYS 323 HB3 -0.06 0.21 0.10 -0.04 1.79 2.01 3my0G1 LYS 323 HG2 -0.09 0.07 -0.02 -0.04 1.46 1.37 3my0G1 LYS 323 HG3 -0.12 -0.28 0.12 -0.04 1.46 1.14 3my0G1 LYS 323 HD2 -0.27 0.07 0.07 -0.04 1.69 1.52 3my0G1 LYS 323 HD3 -0.20 0.04 -0.11 -0.04 1.68 1.38 3my0G1 LYS 323 HE2 -0.18 -0.07 -0.06 -0.04 2.99 2.63 3my0G1 LYS 323 HE3 -0.48 -0.09 -0.03 -0.04 2.99 2.36 3my0G1 PRO 324 HA -0.19 -0.06 0.44 -0.51 4.44 4.12 3my0G1 PRO 324 HB2 -0.17 0.03 -0.05 -0.04 2.28 2.05 3my0G1 PRO 324 HB3 -0.14 -0.08 -0.01 -0.04 2.02 1.75 3my0G1 PRO 324 HG2 -0.12 0.08 -0.09 -0.04 2.03 1.86 3my0G1 PRO 324 HG3 -0.10 0.01 -0.02 -0.04 2.03 1.87 3my0G1 PRO 324 HD2 -0.10 0.13 0.14 -0.04 3.68 3.80 3my0G1 PRO 324 HD3 -0.10 0.11 0.14 -0.04 3.65 3.76 3my0G1 ALA 325 H -0.21 0.30 0.41 -0.55 8.40 8.35 3my0G1 ALA 325 HA -0.09 0.29 0.38 -0.75 4.34 4.17 3my0G1 ALA 325 HB3 -0.16 -0.04 0.18 -0.04 1.41 1.36 3my0G1 ILE 326 H 0.05 0.93 0.31 -0.55 8.25 8.99 3my0G1 ILE 326 HA 0.09 0.22 1.01 -0.75 4.18 4.74 3my0G1 ILE 326 HB 0.01 -0.01 0.06 -0.04 1.89 1.91 3my0G1 ILE 326 HG12 -0.08 -0.09 -0.22 -0.04 1.49 1.06 3my0G1 ILE 326 HG13 -0.08 0.13 -0.56 -0.04 1.21 0.66 3my0G1 ILE 326 HG23 -0.04 -0.04 -0.20 -0.04 0.93 0.62 3my0G1 ILE 326 HD13 -0.10 -0.01 -0.10 -0.04 0.88 0.63 3my0G1 ALA 327 H 0.16 0.69 0.28 -0.55 8.40 8.99 3my0G1 ALA 327 HA 0.05 0.12 0.85 -0.75 4.34 4.61 3my0G1 ALA 327 HB3 -0.24 -0.00 -0.11 -0.04 1.41 1.01 3my0G1 HIS 328 H 0.27 0.10 0.09 -0.55 8.41 8.32 3my0G1 HIS 328 HA 0.06 0.13 0.18 -0.75 4.63 4.24 3my0G1 HIS 328 HB2 0.18 0.08 0.09 -0.04 3.26 3.57 3my0G1 HIS 328 HB3 0.21 -0.18 0.13 -0.04 3.20 3.32 3my0G1 HIS 328 HD2 0.14 -0.01 -0.10 -0.04 6.97 6.96 3my0G1 HIS 328 HE1 0.02 0.02 -0.00 -0.04 7.75 7.74 3my0G1 ARG 329 H 0.26 0.05 0.01 -0.55 8.46 8.23 3my0G1 ARG 329 HA 0.18 0.00 0.25 -0.75 4.34 4.02 3my0G1 ASP 330 H 0.62 0.09 -0.62 -0.55 8.40 7.94 3my0G1 ASP 330 HA 0.19 0.11 0.36 -0.75 4.63 4.52 3my0G1 ASP 330 HB2 0.14 0.10 -0.19 -0.04 2.71 2.72 3my0G1 ASP 330 HB3 0.23 0.05 0.06 -0.04 2.70 3.00 3my0G1 PHE 331 H 0.28 0.11 -0.03 -0.55 8.34 8.14 3my0G1 PHE 331 HA -0.43 0.13 0.59 -0.75 4.62 4.15 3my0G1 PHE 331 HB2 -0.09 -0.11 0.11 -0.04 3.15 3.02 3my0G1 PHE 331 HB3 0.05 0.07 0.11 -0.04 3.06 3.26 3my0G1 PHE 331 HD2 -0.14 0.02 -0.27 -0.04 7.28 6.85 3my0G1 PHE 331 HE2 -0.07 0.01 -0.06 -0.04 7.38 7.22 3my0G1 PHE 331 HZ 0.06 -0.01 -0.09 -0.04 7.32 7.24 3my0G1 LYS 332 H -0.72 0.31 0.24 -0.55 8.42 7.69 3my0G1 LYS 332 HA -0.70 0.23 0.50 -0.75 4.32 3.59 3my0G1 LYS 332 HB2 -0.86 -0.05 0.11 -0.04 1.87 1.02 3my0G1 LYS 332 HB3 -0.87 0.18 -0.27 -0.04 1.79 0.79 3my0G1 LYS 332 HG2 -0.24 0.21 -0.09 -0.04 1.46 1.30 3my0G1 LYS 332 HG3 -0.23 -0.32 -0.15 -0.04 1.46 0.71 3my0G1 LYS 332 HD2 -0.08 0.01 -0.05 -0.04 1.69 1.54 3my0G1 LYS 332 HD3 -0.09 0.03 -0.11 -0.04 1.68 1.47 3my0G1 LYS 332 HE2 -0.04 0.08 -0.08 -0.04 2.99 2.91 3my0G1 LYS 332 HE3 -0.08 -0.09 -0.09 -0.04 2.99 2.69 3my0G1 SER 333 H -0.08 0.26 0.13 -0.55 8.46 8.22 3my0G1 SER 333 HA -0.13 0.15 0.37 -0.75 4.49 4.12 3my0G1 SER 333 HB2 0.16 -0.07 -0.06 -0.04 3.95 3.94 3my0G1 SER 333 HB3 0.13 0.13 0.05 -0.04 3.93 4.20 3my0G1 ARG 334 H -0.09 0.10 -0.21 -0.55 8.46 7.71 3my0G1 ARG 334 HA -0.03 0.02 0.61 -0.75 4.34 4.18 3my0G1 ARG 334 HB2 -0.12 -0.01 0.04 -0.04 1.90 1.77 3my0G1 ARG 334 HB3 -0.12 0.05 -0.02 -0.04 1.80 1.66 3my0G1 ARG 334 HG2 -0.26 0.00 0.06 -0.04 1.67 1.44 3my0G1 ARG 334 HG3 -0.38 -0.01 0.01 -0.04 1.67 1.25 3my0G1 ARG 334 HD2 -0.20 0.02 0.00 -0.04 3.22 3.01 3my0G1 ARG 334 HD3 -0.11 -0.01 -0.01 -0.04 3.22 3.05 3my0G1 ASN 335 H -0.22 0.28 -0.40 -0.55 8.53 7.65 3my0G1 ASN 335 HA -0.08 0.14 0.73 -0.75 4.76 4.78 3my0G1 ASN 335 HB2 -0.25 -0.05 0.18 -0.04 2.88 2.72 3my0G1 ASN 335 HB3 -0.03 0.16 0.21 -0.04 2.79 3.09 3my0G1 ASN 335 HD21 0.03 -0.11 -0.02 -0.04 7.03 6.89 3my0G1 ASN 335 HD22 0.05 0.58 0.16 -0.04 7.74 8.49 3my0G1 VAL 336 H -0.13 0.29 -0.32 -0.55 8.24 7.53 3my0G1 VAL 336 HA -0.07 0.18 0.87 -0.75 4.13 4.36 3my0G1 VAL 336 HB -0.14 -0.05 0.15 -0.04 2.12 2.04 3my0G1 VAL 336 HG13 -0.03 0.01 -0.14 -0.04 0.97 0.77 3my0G1 VAL 336 HG23 -0.35 0.02 -0.12 -0.04 0.95 0.46 3my0G1 LEU 337 H -0.03 0.70 0.25 -0.55 8.37 8.75 3my0G1 LEU 337 HA -0.04 0.14 0.86 -0.75 4.35 4.55 3my0G1 LEU 337 HB2 -0.04 0.02 -0.03 -0.04 1.64 1.55 3my0G1 LEU 337 HB3 -0.05 0.04 -0.11 -0.04 1.64 1.47 3my0G1 LEU 337 HG 0.00 -0.05 -0.37 -0.04 1.64 1.18 3my0G1 LEU 337 HD13 0.12 0.00 -0.17 -0.04 0.93 0.84 3my0G1 LEU 337 HD23 0.03 -0.00 -0.26 -0.04 0.89 0.61 3my0G1 VAL 338 H -0.08 0.68 0.10 -0.55 8.24 8.39 3my0G1 VAL 338 HA -0.20 0.19 0.88 -0.75 4.13 4.25 3my0G1 VAL 338 HB -0.27 0.03 -0.06 -0.04 2.12 1.78 3my0G1 VAL 338 HG13 -0.66 0.04 -0.23 -0.04 0.97 0.08 3my0G1 VAL 338 HG23 -0.31 -0.02 -0.29 -0.04 0.95 0.29 3my0G1 LYS 339 H -0.20 0.74 0.12 -0.55 8.42 8.52 3my0G1 LYS 339 HA -0.21 0.05 0.44 -0.75 4.32 3.84 3my0G1 LYS 339 HB2 -0.13 0.04 0.03 -0.04 1.87 1.76 3my0G1 LYS 339 HB3 -0.09 -0.15 0.11 -0.04 1.79 1.62 3my0G1 LYS 339 HG2 -0.51 -0.03 -0.07 -0.04 1.46 0.81 3my0G1 LYS 339 HG3 -0.60 -0.05 -0.21 -0.04 1.46 0.56 3my0G1 LYS 339 HD2 -0.15 0.08 -0.24 -0.04 1.69 1.34 3my0G1 LYS 339 HD3 -0.12 0.05 -0.29 -0.04 1.68 1.29 3my0G1 LYS 339 HE2 -0.03 -0.15 -0.03 -0.04 2.99 2.74 3my0G1 LYS 339 HE3 0.03 -0.02 -0.01 -0.04 2.99 2.95 3my0G1 SER 340 H -0.02 0.16 0.17 -0.55 8.46 8.22 3my0G1 SER 340 HA -0.11 0.11 0.48 -0.75 4.49 4.21 3my0G1 SER 340 HB2 -0.01 -0.03 0.14 -0.04 3.95 4.01 3my0G1 SER 340 HB3 -0.02 0.07 0.02 -0.04 3.93 3.96 3my0G1 ASN 341 H -0.02 0.05 -0.18 -0.55 8.53 7.84 3my0G1 ASN 341 HA 0.01 0.21 0.61 -0.75 4.76 4.83 3my0G1 ASN 341 HB2 -0.00 0.06 0.13 -0.04 2.88 3.03 3my0G1 ASN 341 HB3 -0.00 0.01 0.05 -0.04 2.79 2.80 3my0G1 ASN 341 HD21 -0.02 0.03 -0.02 -0.04 7.03 6.99 3my0G1 ASN 341 HD22 -0.01 0.03 0.00 -0.04 7.74 7.72 3my0G1 LEU 342 H -0.01 0.38 -0.90 -0.55 8.37 7.29 3my0G1 LEU 342 HA -0.15 0.10 0.15 -0.75 4.35 3.69 3my0G1 GLN 343 H -0.07 -0.07 -0.47 -0.55 8.47 7.31 3my0G1 GLN 343 HA -0.06 0.19 0.71 -0.75 4.36 4.45 3my0G1 GLN 343 HB2 -0.04 -0.11 -0.06 -0.04 2.15 1.89 3my0G1 GLN 343 HB3 -0.03 0.11 -0.03 -0.04 2.02 2.03 3my0G1 GLN 343 HG2 -0.02 0.01 0.06 -0.04 2.40 2.41 3my0G1 GLN 343 HG3 -0.03 0.13 -0.16 -0.04 2.39 2.30 3my0G1 GLN 343 HE21 -0.01 -0.03 -0.02 -0.04 6.97 6.88 3my0G1 GLN 343 HE22 -0.01 0.02 -0.00 -0.04 7.69 7.65 3my0G1 CYS 344 H -0.03 0.09 0.08 -0.55 8.50 8.09 3my0G1 CYS 344 HA -0.10 0.30 0.78 -0.75 4.58 4.80 3my0G1 CYS 344 HB2 0.02 -0.08 -0.09 -0.04 2.97 2.79 3my0G1 CYS 344 HB3 -0.00 0.00 -0.00 -0.04 2.97 2.93 3my0G1 CYS 345 H -0.07 0.46 0.22 -0.55 8.50 8.57 3my0G1 CYS 345 HA 0.06 0.18 0.09 -0.75 4.58 4.14 3my0G1 CYS 345 HB2 0.08 -0.06 -0.50 -0.04 2.97 2.45 3my0G1 CYS 345 HB3 -0.00 0.25 0.02 -0.04 2.97 3.20 3my0G1 ILE 346 H 0.11 0.59 0.06 -0.55 8.25 8.46 3my0G1 ILE 346 HA 0.06 0.10 0.78 -0.75 4.18 4.36 3my0G1 ILE 346 HB 0.17 0.01 0.15 -0.04 1.89 2.18 3my0G1 ILE 346 HG12 0.26 -0.03 0.03 -0.04 1.49 1.71 3my0G1 ILE 346 HG13 0.15 0.09 0.14 -0.04 1.21 1.55 3my0G1 ILE 346 HG23 0.22 0.02 -0.02 -0.04 0.93 1.11 3my0G1 ILE 346 HD13 0.22 0.02 -0.08 -0.04 0.88 0.99 3my0G1 ALA 347 H 0.08 0.75 0.36 -0.55 8.40 9.04 3my0G1 ALA 347 HA 0.17 0.14 0.82 -0.75 4.34 4.72 3my0G1 ALA 347 HB3 0.08 -0.03 -0.02 -0.04 1.41 1.39 3my0G1 ASP 348 H 0.14 0.10 0.08 -0.55 8.40 8.18 3my0G1 ASP 348 HA 0.10 -0.04 0.36 -0.75 4.63 4.30 3my0G1 ASP 348 HB2 0.03 -0.02 -0.14 -0.04 2.71 2.54 3my0G1 ASP 348 HB3 0.14 0.22 0.06 -0.04 2.70 3.08 3my0G1 LEU 349 H 0.01 0.13 0.05 -0.55 8.37 8.01 3my0G1 LEU 349 HA -0.32 0.24 0.62 -0.75 4.35 4.13 3my0G1 LEU 349 HB2 -0.30 -0.01 0.04 -0.04 1.64 1.33 3my0G1 LEU 349 HB3 -0.26 0.05 0.09 -0.04 1.64 1.48 3my0G1 LEU 349 HG -0.18 0.04 -0.13 -0.04 1.64 1.33 3my0G1 LEU 349 HD13 -0.03 0.00 -0.41 -0.04 0.93 0.45 3my0G1 LEU 349 HD23 -0.47 0.03 -0.10 -0.04 0.89 0.31 3my0G1 GLY 350 H -0.01 0.07 -0.47 -0.55 8.43 7.48 3my0G1 GLY 350 HA2 0.01 0.11 0.25 -0.51 4.01 3.86 3my0G1 GLY 350 HA3 0.08 -0.04 0.26 -0.51 4.01 3.80 3my0G1 LEU 351 H -0.09 0.10 -0.42 -0.55 8.37 7.41 3my0G1 LEU 351 HA -0.02 0.13 0.75 -0.75 4.35 4.45 3my0G1 LEU 351 HB2 -0.00 -0.06 -0.13 -0.04 1.64 1.41 3my0G1 LEU 351 HB3 -0.01 0.04 0.00 -0.04 1.64 1.64 3my0G1 LEU 351 HG 0.05 -0.13 -0.28 -0.04 1.64 1.24 3my0G1 LEU 351 HD13 0.07 -0.01 -0.41 -0.04 0.93 0.54 3my0G1 LEU 351 HD23 0.03 0.05 -0.12 -0.04 0.89 0.81 3my0G1 ALA 352 H -0.13 0.34 -0.20 -0.55 8.40 7.86 3my0G1 ALA 352 HA -0.10 0.27 0.33 -0.75 4.34 4.08 3my0G1 ALA 352 HB3 -0.14 -0.04 0.03 -0.04 1.41 1.22 3my0G1 VAL 353 H -0.06 0.41 0.34 -0.55 8.24 8.38 3my0G1 VAL 353 HA -0.10 0.28 0.89 -0.75 4.13 4.45 3my0G1 VAL 353 HB -0.14 0.01 0.03 -0.04 2.12 1.97 3my0G1 VAL 353 HG13 -0.37 0.02 -0.09 -0.04 0.97 0.49 3my0G1 VAL 353 HG23 -0.22 -0.02 -0.07 -0.04 0.95 0.60 3my0G1 MET 354 H -0.09 0.48 0.29 -0.55 8.47 8.60 3my0G1 MET 354 HA -0.09 0.38 1.21 -0.75 4.52 5.26 3my0G1 MET 354 HB2 -0.12 -0.09 0.01 -0.04 2.15 1.90 3my0G1 MET 354 HB3 -0.15 -0.00 0.01 -0.04 2.03 1.85 3my0G1 MET 354 HG2 -0.07 0.08 -0.35 -0.04 2.63 2.25 3my0G1 MET 354 HG3 -0.10 -0.02 -0.35 -0.04 2.56 2.05 3my0G1 MET 354 HE3 -0.10 -0.01 -0.11 -0.04 2.10 1.83 3my0G1 HIS 355 H -0.38 0.59 0.28 -0.55 8.41 8.37 3my0G1 HIS 355 HA -0.32 0.15 0.71 -0.75 4.63 4.42 3my0G1 HIS 355 HB2 -0.72 0.14 -0.11 -0.04 3.26 2.53 3my0G1 HIS 355 HB3 -1.92 -0.04 -0.09 -0.04 3.20 1.11 3my0G1 HIS 355 HD2 -0.09 0.01 -0.13 -0.04 6.97 6.72 3my0G1 HIS 355 HE1 -0.06 -0.07 -0.37 -0.04 7.75 7.21 3my0G1 SER 356 H -0.54 0.37 0.15 -0.55 8.46 7.90 3my0G1 SER 356 HA -0.11 0.15 0.98 -0.75 4.49 4.75 3my0G1 SER 356 HB2 -0.13 0.04 0.02 -0.04 3.95 3.84 3my0G1 SER 356 HB3 -0.08 -0.10 0.06 -0.04 3.93 3.77 3my0G1 GLN 357 H 0.09 0.24 0.11 -0.55 8.47 8.36 3my0G1 GLN 357 HA 0.21 0.09 0.65 -0.75 4.36 4.55 3my0G1 GLN 357 HB2 0.21 0.03 0.15 -0.04 2.15 2.50 3my0G1 GLN 357 HB3 0.35 0.02 0.02 -0.04 2.02 2.37 3my0G1 GLN 357 HG2 0.11 0.01 0.12 -0.04 2.40 2.60 3my0G1 GLN 357 HG3 0.13 0.01 0.09 -0.04 2.39 2.58 3my0G1 GLN 357 HE21 -0.02 0.01 -0.02 -0.04 6.97 6.91 3my0G1 GLN 357 HE22 0.05 -0.00 -0.04 -0.04 7.69 7.65 3my0G1 GLY 358 H 0.06 0.03 -0.29 -0.55 8.43 7.68 3my0G1 GLY 358 HA2 0.06 0.09 0.41 -0.51 4.01 4.06 3my0G1 GLY 358 HA3 0.05 0.03 0.26 -0.51 4.01 3.83 3my0G1 SER 359 H -0.07 0.41 -0.83 -0.55 8.46 7.42 3my0G1 SER 359 HA -0.04 0.02 0.35 -0.75 4.49 4.07 3my0G1 ASP 360 H -0.03 0.15 0.07 -0.55 8.40 8.04 3my0G1 ASP 360 HA -0.51 0.11 0.16 -0.75 4.63 3.64 3my0G1 ASP 360 HB2 0.05 -0.00 0.24 -0.04 2.71 2.95 3my0G1 ASP 360 HB3 0.19 -0.03 0.15 -0.04 2.70 2.97 3my0G1 TYR 361 H -0.19 0.64 0.79 -0.55 8.29 8.98 3my0G1 TYR 361 HA -0.05 0.09 0.66 -0.75 4.56 4.51 3my0G1 TYR 361 HB2 -0.06 -0.01 -0.03 -0.04 3.06 2.92 3my0G1 TYR 361 HB3 -0.12 0.14 0.01 -0.04 2.98 2.97 3my0G1 TYR 361 HD2 -0.08 0.01 -0.02 -0.04 7.15 7.02 3my0G1 TYR 361 HE2 -0.05 0.01 -0.06 -0.04 6.85 6.71 3my0G1 LEU 362 H -0.52 0.16 0.10 -0.55 8.37 7.57 3my0G1 LEU 362 HA -0.25 0.28 0.97 -0.75 4.35 4.60 3my0G1 LEU 362 HB2 -0.02 -0.02 -0.04 -0.04 1.64 1.52 3my0G1 LEU 362 HB3 -0.13 -0.01 0.22 -0.04 1.64 1.67 3my0G1 LEU 362 HG -0.09 0.05 -0.37 -0.04 1.64 1.18 3my0G1 LEU 362 HD13 0.23 -0.01 -0.21 -0.04 0.93 0.90 3my0G1 LEU 362 HD23 0.04 0.01 0.02 -0.04 0.89 0.91 3my0G1 ASP 363 H -0.46 0.37 0.07 -0.55 8.40 7.84 3my0G1 ASP 363 HA -0.33 0.08 0.56 -0.75 4.63 4.17 3my0G1 ASP 363 HB2 -0.06 -0.01 0.03 -0.04 2.71 2.63 3my0G1 ASP 363 HB3 -0.14 -0.06 0.18 -0.04 2.70 2.64 3my0G1 ILE 364 H -0.14 0.35 0.35 -0.55 8.25 8.26 3my0G1 ILE 364 HA -0.10 0.18 0.84 -0.75 4.18 4.35 3my0G1 GLY 365 H -0.04 0.22 0.09 -0.55 8.43 8.15 3my0G1 GLY 365 HA2 0.04 0.10 0.66 -0.51 4.01 4.30 3my0G1 GLY 365 HA3 0.03 -0.02 0.40 -0.51 4.01 3.91 3my0G1 ASN 366 H 0.06 0.08 0.14 -0.55 8.53 8.26 3my0G1 ASN 366 HA 0.02 0.25 0.64 -0.75 4.76 4.92 3my0G1 ASN 367 H 0.04 0.07 -0.14 -0.55 8.53 7.95 3my0G1 ASN 367 HA 0.05 -0.00 0.36 -0.75 4.76 4.42 3my0G1 ASN 367 HB2 0.05 0.02 0.06 -0.04 2.88 2.97 3my0G1 ASN 367 HB3 0.04 0.15 0.02 -0.04 2.79 2.95 3my0G1 ASN 367 HD21 0.12 -0.13 -0.10 -0.04 7.03 6.87 3my0G1 ASN 367 HD22 0.08 0.30 -0.15 -0.04 7.74 7.93 3my0G1 PRO 368 HA 0.03 0.16 0.58 -0.51 4.44 4.69 3my0G1 PRO 368 HB2 0.03 -0.01 -0.05 -0.04 2.28 2.20 3my0G1 PRO 368 HB3 0.02 0.02 0.12 -0.04 2.02 2.14 3my0G1 PRO 368 HG2 0.04 0.01 0.10 -0.04 2.03 2.13 3my0G1 PRO 368 HG3 0.03 0.08 0.12 -0.04 2.03 2.22 3my0G1 PRO 368 HD2 0.06 -0.03 0.22 -0.04 3.68 3.89 3my0G1 PRO 368 HD3 0.04 0.14 0.25 -0.04 3.65 4.04 3my0G1 ARG 369 H 0.06 -0.04 -0.17 -0.55 8.46 7.76 3my0G1 ARG 369 HA 0.06 -0.00 0.42 -0.75 4.34 4.07 3my0G1 ARG 369 HB2 0.09 -0.07 0.08 -0.04 1.90 1.95 3my0G1 ARG 369 HB3 0.08 0.01 -0.10 -0.04 1.80 1.75 3my0G1 ARG 369 HG2 0.09 0.22 -0.04 -0.04 1.67 1.90 3my0G1 ARG 369 HG3 0.09 -0.03 0.04 -0.04 1.67 1.73 3my0G1 ARG 369 HD2 0.13 -0.04 -0.06 -0.04 3.22 3.21 3my0G1 ARG 369 HD3 0.13 -0.04 -0.01 -0.04 3.22 3.26 3my0G1 VAL 370 H 0.07 0.08 0.17 -0.55 8.24 8.01 3my0G1 VAL 370 HA 0.08 0.22 0.80 -0.75 4.13 4.47 3my0G1 VAL 370 HB 0.10 -0.03 0.11 -0.04 2.12 2.27 3my0G1 VAL 370 HG13 0.06 0.04 -0.06 -0.04 0.97 0.97 3my0G1 VAL 370 HG23 0.07 -0.00 0.03 -0.04 0.95 1.01 3my0G1 GLY 371 H 0.11 0.10 0.09 -0.55 8.43 8.19 3my0G1 GLY 371 HA2 0.13 0.03 0.44 -0.51 4.01 4.10 3my0G1 GLY 371 HA3 0.14 0.08 0.30 -0.51 4.01 4.02 3my0G1 THR 372 H 0.13 0.07 0.10 -0.55 8.28 8.03 3my0G1 THR 372 HA 0.13 0.08 0.54 -0.75 4.39 4.39 3my0G1 THR 372 HB 0.23 -0.03 0.03 -0.04 4.32 4.51 3my0G1 THR 372 HG23 0.17 -0.02 -0.01 -0.04 1.22 1.31 3my0G1 LYS 373 H 0.13 0.15 0.12 -0.55 8.42 8.27 3my0G1 LYS 373 HA 0.11 0.09 0.20 -0.75 4.32 3.96 3my0G1 LYS 373 HB2 0.09 0.03 0.12 -0.04 1.87 2.07 3my0G1 LYS 373 HB3 0.03 0.08 -0.17 -0.04 1.79 1.69 3my0G1 LYS 373 HG2 0.15 -0.13 -0.01 -0.04 1.46 1.43 3my0G1 LYS 373 HG3 0.16 0.01 0.02 -0.04 1.46 1.61 3my0G1 LYS 373 HD2 0.14 0.14 0.02 -0.04 1.69 1.95 3my0G1 LYS 373 HD3 0.12 0.01 0.08 -0.04 1.68 1.85 3my0G1 LYS 373 HE2 0.20 -0.16 0.09 -0.04 2.99 3.08 3my0G1 LYS 373 HE3 0.26 0.03 0.03 -0.04 2.99 3.28 3my0G1 ARG 374 H 0.13 0.05 -0.20 -0.55 8.46 7.90 3my0G1 ARG 374 HA -0.03 0.09 0.27 -0.75 4.34 3.92 3my0G1 ARG 374 HB2 0.08 0.01 0.04 -0.04 1.90 1.99 3my0G1 ARG 374 HB3 0.11 -0.08 -0.05 -0.04 1.80 1.74 3my0G1 ARG 374 HG2 -0.12 -0.02 -0.10 -0.04 1.67 1.39 3my0G1 ARG 374 HG3 0.04 0.06 -0.02 -0.04 1.67 1.71 3my0G1 ARG 374 HD2 0.01 -0.14 -0.04 -0.04 3.22 3.01 3my0G1 ARG 374 HD3 0.01 0.18 -0.02 -0.04 3.22 3.35 3my0G1 TYR 375 H 0.33 0.25 -0.58 -0.55 8.29 7.73 3my0G1 TYR 375 HA 0.35 0.20 0.55 -0.75 4.56 4.91 3my0G1 TYR 375 HB2 0.19 -0.01 -0.03 -0.04 3.06 3.17 3my0G1 TYR 375 HB3 0.30 0.02 0.12 -0.04 2.98 3.38 3my0G1 TYR 375 HD2 0.19 -0.00 -0.01 -0.04 7.15 7.29 3my0G1 TYR 375 HE2 0.14 -0.00 -0.05 -0.04 6.85 6.90 3my0G1 MET 376 H 0.14 0.39 -0.25 -0.55 8.47 8.20 3my0G1 MET 376 HA 0.10 -0.03 0.41 -0.75 4.52 4.24 3my0G1 MET 376 HB2 -0.06 0.13 0.06 -0.04 2.15 2.25 3my0G1 MET 376 HB3 -0.07 -0.04 -0.11 -0.04 2.03 1.77 3my0G1 MET 376 HG2 0.10 -0.07 -0.09 -0.04 2.63 2.53 3my0G1 MET 376 HG3 0.12 0.11 -0.17 -0.04 2.56 2.57 3my0G1 MET 376 HE3 0.16 -0.00 -0.10 -0.04 2.10 2.12 3my0G1 ALA 377 H -0.18 0.01 0.19 -0.55 8.40 7.88 3my0G1 ALA 377 HA -2.20 0.25 0.36 -0.75 4.34 2.00 3my0G1 ALA 377 HB3 -0.41 0.00 0.16 -0.04 1.41 1.12 3my0G1 PRO 378 HA -0.35 0.10 0.38 -0.51 4.44 4.06 3my0G1 PRO 378 HB2 -0.22 0.01 0.06 -0.04 2.28 2.09 3my0G1 PRO 378 HB3 -0.21 0.13 0.04 -0.04 2.02 1.94 3my0G1 PRO 378 HG2 -0.28 0.12 0.09 -0.04 2.03 1.92 3my0G1 PRO 378 HG3 -0.46 0.19 0.07 -0.04 2.03 1.79 3my0G1 PRO 378 HD2 -0.91 0.09 0.21 -0.04 3.68 3.03 3my0G1 PRO 378 HD3 -2.85 0.21 0.19 -0.04 3.65 1.16 3my0G1 GLU 379 H -0.25 0.22 -0.14 -0.55 8.60 7.89 3my0G1 GLU 379 HA -0.09 0.09 0.31 -0.75 4.29 3.84 3my0G1 GLU 379 HB2 -0.05 -0.04 -0.04 -0.04 2.09 1.92 3my0G1 GLU 379 HB3 -0.08 0.14 0.07 -0.04 1.99 2.08 3my0G1 GLU 379 HG2 -0.06 -0.03 -0.20 -0.04 2.34 2.01 3my0G1 GLU 379 HG3 -0.01 -0.01 -0.06 -0.04 2.34 2.22 3my0G1 VAL 380 H -0.16 0.22 -0.48 -0.55 8.24 7.27 3my0G1 VAL 380 HA 0.00 0.07 0.68 -0.75 4.13 4.13 3my0G1 VAL 380 HB -0.07 0.12 0.03 -0.04 2.12 2.16 3my0G1 VAL 380 HG13 0.09 0.01 -0.10 -0.04 0.97 0.93 3my0G1 VAL 380 HG23 0.02 -0.01 -0.01 -0.04 0.95 0.90 3my0G1 LEU 381 H -0.17 0.48 -0.09 -0.55 8.37 8.03 3my0G1 LEU 381 HA -0.21 0.05 0.49 -0.75 4.35 3.94 3my0G1 LEU 381 HB2 -0.26 0.10 0.06 -0.04 1.64 1.50 3my0G1 LEU 381 HB3 -0.42 -0.10 0.01 -0.04 1.64 1.08 3my0G1 LEU 381 HG -0.25 0.06 -0.15 -0.04 1.64 1.27 3my0G1 LEU 381 HD13 -0.30 0.01 -0.28 -0.04 0.93 0.32 3my0G1 LEU 381 HD23 -0.48 -0.01 -0.06 -0.04 0.89 0.30 3my0G1 ASP 382 H -0.10 0.58 -0.04 -0.55 8.40 8.28 3my0G1 ASP 382 HA -0.03 0.10 0.58 -0.75 4.63 4.53 3my0G1 ASP 382 HB2 -0.08 0.11 0.07 -0.04 2.71 2.77 3my0G1 ASP 382 HB3 -0.04 -0.08 -0.09 -0.04 2.70 2.46 3my0G1 GLU 383 H 0.02 0.15 -0.71 -0.55 8.60 7.51 3my0G1 GLU 383 HA 0.04 0.03 0.29 -0.75 4.29 3.90 3my0G1 GLU 383 HB2 0.03 0.13 0.27 -0.04 2.09 2.48 3my0G1 GLU 383 HB3 0.03 -0.07 0.19 -0.04 1.99 2.11 3my0G1 GLU 383 HG2 0.13 0.01 -0.04 -0.04 2.34 2.40 3my0G1 GLU 383 HG3 0.15 0.09 -0.49 -0.04 2.34 2.04 3my0G1 GLN 384 H -0.02 0.14 -0.17 -0.55 8.47 7.88 3my0G1 GLN 384 HA -0.01 0.21 0.74 -0.75 4.36 4.55 3my0G1 GLN 384 HB2 -0.02 -0.00 0.07 -0.04 2.15 2.16 3my0G1 GLN 384 HB3 -0.02 0.03 -0.09 -0.04 2.02 1.89 3my0G1 GLN 384 HG2 -0.04 -0.05 -0.06 -0.04 2.40 2.21 3my0G1 GLN 384 HG3 -0.03 -0.05 -0.11 -0.04 2.39 2.16 3my0G1 GLN 384 HE21 -0.03 0.02 -0.02 -0.04 6.97 6.89 3my0G1 GLN 384 HE22 -0.03 -0.05 -0.02 -0.04 7.69 7.55 3my0G1 ILE 385 H -0.02 0.17 -0.09 -0.55 8.25 7.76 3my0G1 ILE 385 HA -0.02 0.01 0.36 -0.75 4.18 3.77 3my0G1 ILE 385 HB -0.10 0.01 -0.35 -0.04 1.89 1.41 3my0G1 ILE 385 HG12 -0.01 -0.06 -0.12 -0.04 1.49 1.26 3my0G1 ILE 385 HG13 -0.01 0.24 0.08 -0.04 1.21 1.47 3my0G1 ILE 385 HG23 -0.04 -0.04 -0.14 -0.04 0.93 0.67 3my0G1 ILE 385 HD13 0.01 0.01 -0.08 -0.04 0.88 0.78 3my0G1 ARG 386 H -0.03 0.09 0.12 -0.55 8.46 8.09 3my0G1 ARG 386 HA -0.02 0.17 0.69 -0.75 4.34 4.43 3my0G1 THR 387 H -0.01 0.27 0.09 -0.55 8.28 8.08 3my0G1 THR 387 HA -0.15 0.10 0.29 -0.75 4.39 3.88 3my0G1 THR 387 HB 0.14 0.04 0.10 -0.04 4.32 4.57 3my0G1 THR 387 HG23 0.06 0.03 -0.04 -0.04 1.22 1.23 3my0G1 ASP 388 H 0.01 0.05 -0.38 -0.55 8.40 7.52 3my0G1 ASP 388 HA 0.08 0.24 0.78 -0.75 4.63 4.98 3my0G1 ASP 388 HB2 0.04 0.01 0.17 -0.04 2.71 2.90 3my0G1 ASP 388 HB3 0.04 0.04 0.02 -0.04 2.70 2.76 3my0G1 CYS 389 H -0.05 0.38 -0.27 -0.55 8.50 8.02 3my0G1 CYS 389 HA 0.03 0.18 0.85 -0.75 4.58 4.89 3my0G1 CYS 389 HB2 -0.00 0.05 -0.07 -0.04 2.97 2.90 3my0G1 CYS 389 HB3 -0.07 0.07 0.13 -0.04 2.97 3.06 3my0G1 PHE 390 H 0.11 0.22 0.04 -0.55 8.34 8.15 3my0G1 PHE 390 HA 0.11 0.15 0.30 -0.75 4.62 4.42 3my0G1 PHE 390 HB2 -0.02 0.12 -0.03 -0.04 3.15 3.17 3my0G1 PHE 390 HB3 -0.35 -0.04 0.03 -0.04 3.06 2.65 3my0G1 PHE 390 HD2 -0.20 -0.01 -0.20 -0.04 7.28 6.83 3my0G1 PHE 390 HE2 -0.18 0.12 -0.20 -0.04 7.38 7.09 3my0G1 PHE 390 HZ -0.17 0.04 -0.59 -0.04 7.32 6.56 3my0G1 GLU 391 H -0.24 0.10 -0.09 -0.55 8.60 7.82 3my0G1 GLU 391 HA -0.84 0.09 0.35 -0.75 4.29 3.14 3my0G1 SER 392 H -0.36 0.12 -0.37 -0.55 8.46 7.30 3my0G1 SER 392 HA 0.24 0.02 0.34 -0.75 4.49 4.34 3my0G1 SER 392 HB2 -0.43 0.29 0.07 -0.04 3.95 3.84 3my0G1 SER 392 HB3 -0.17 -0.06 -0.05 -0.04 3.93 3.61 3my0G1 TYR 393 H -0.39 0.36 -0.24 -0.55 8.29 7.47 3my0G1 TYR 393 HA -0.07 0.02 0.40 -0.75 4.56 4.15 3my0G1 TYR 393 HB2 -0.43 0.15 0.08 -0.04 3.06 2.82 3my0G1 TYR 393 HB3 -0.16 -0.06 -0.03 -0.04 2.98 2.69 3my0G1 TYR 393 HD2 -0.05 -0.05 -0.03 -0.04 7.15 6.98 3my0G1 TYR 393 HE2 0.01 0.03 -0.10 -0.04 6.85 6.75 3my0G1 LYS 394 H -0.63 0.42 -0.14 -0.55 8.42 7.53 3my0G1 LYS 394 HA -0.43 -0.03 0.51 -0.75 4.32 3.61 3my0G1 LYS 394 HB2 -0.84 0.18 0.20 -0.04 1.87 1.37 3my0G1 LYS 394 HB3 -0.51 -0.04 0.02 -0.04 1.79 1.21 3my0G1 LYS 394 HG2 -1.50 -0.01 0.04 -0.04 1.46 -0.06 3my0G1 LYS 394 HG3 -1.22 0.05 -0.04 -0.04 1.46 0.21 3my0G1 LYS 394 HD2 -0.38 -0.09 0.03 -0.04 1.69 1.21 3my0G1 LYS 394 HD3 -0.32 0.15 0.01 -0.04 1.68 1.48 3my0G1 LYS 394 HE2 -0.50 -0.04 -0.09 -0.04 2.99 2.32 3my0G1 LYS 394 HE3 -0.57 0.02 0.03 -0.04 2.99 2.42 3my0G1 TRP 395 H -0.22 0.47 -0.19 -0.55 7.97 7.49 3my0G1 TRP 395 HA 0.06 0.07 0.41 -0.75 4.62 4.41 3my0G1 TRP 395 HB2 -0.03 0.09 0.13 -0.04 3.23 3.39 3my0G1 TRP 395 HB3 0.05 0.01 0.08 -0.04 3.23 3.33 3my0G1 TRP 395 HD1 0.03 0.01 -0.05 -0.04 7.22 7.17 3my0G1 TRP 395 HE1 0.01 0.02 -0.05 -0.04 10.20 10.13 3my0G1 TRP 395 HE3 -0.06 -0.02 -0.13 -0.04 7.59 7.34 3my0G1 TRP 395 HZ2 -0.01 0.04 -0.02 -0.04 7.44 7.41 3my0G1 TRP 395 HZ3 -0.05 -0.04 -0.11 -0.04 7.13 6.89 3my0G1 TRP 395 HH2 -0.02 -0.01 -0.05 -0.04 7.19 7.07 3my0G1 THR 396 H 0.17 0.35 -0.30 -0.55 8.28 7.95 3my0G1 THR 396 HA 0.26 0.07 0.64 -0.75 4.39 4.61 3my0G1 THR 396 HB 0.16 -0.07 0.11 -0.04 4.32 4.48 3my0G1 THR 396 HG23 0.08 0.06 0.03 -0.04 1.22 1.35 3my0G1 ASP 397 H 0.18 0.47 -0.04 -0.55 8.40 8.47 3my0G1 ASP 397 HA 0.24 -0.08 0.56 -0.75 4.63 4.59 3my0G1 ASP 397 HB2 0.26 0.32 0.31 -0.04 2.71 3.56 3my0G1 ASP 397 HB3 0.07 -0.02 0.06 -0.04 2.70 2.77 3my0G1 ILE 398 H 0.24 0.40 -0.23 -0.55 8.25 8.12 3my0G1 ILE 398 HA 0.07 -0.06 0.22 -0.75 4.18 3.66 3my0G1 ILE 398 HB 0.29 0.18 0.20 -0.04 1.89 2.52 3my0G1 ILE 398 HG12 0.22 0.18 0.07 -0.04 1.49 1.91 3my0G1 ILE 398 HG13 0.24 0.15 0.03 -0.04 1.21 1.60 3my0G1 ILE 398 HG23 0.08 0.04 -0.07 -0.04 0.93 0.93 3my0G1 ILE 398 HD13 -0.09 -0.08 -0.11 -0.04 0.88 0.56 3my0G1 TRP 399 H 0.48 0.45 0.03 -0.55 7.97 8.39 3my0G1 TRP 399 HA 0.38 0.23 0.54 -0.75 4.62 5.02 3my0G1 TRP 399 HB2 0.22 0.07 0.23 -0.04 3.23 3.71 3my0G1 TRP 399 HB3 0.23 0.04 0.25 -0.04 3.23 3.70 3my0G1 TRP 399 HD1 0.25 0.16 -0.19 -0.04 7.22 7.40 3my0G1 TRP 399 HE1 0.08 0.06 -0.34 -0.04 10.20 9.96 3my0G1 TRP 399 HE3 0.26 0.15 0.07 -0.04 7.59 8.03 3my0G1 TRP 399 HZ2 -0.04 0.03 -0.04 -0.04 7.44 7.35 3my0G1 TRP 399 HZ3 0.13 0.18 -0.07 -0.04 7.13 7.32 3my0G1 TRP 399 HH2 -0.09 0.13 0.01 -0.04 7.19 7.20 3my0G1 ALA 400 H 0.60 0.48 -0.11 -0.55 8.40 8.83 3my0G1 ALA 400 HA 0.57 -0.01 0.40 -0.75 4.34 4.55 3my0G1 ALA 400 HB3 0.47 0.11 0.17 -0.04 1.41 2.11 3my0G1 PHE 401 H 0.33 0.45 -0.31 -0.55 8.34 8.26 3my0G1 PHE 401 HA 0.25 -0.06 0.48 -0.75 4.62 4.53 3my0G1 PHE 401 HB2 -0.39 -0.01 0.03 -0.04 3.15 2.74 3my0G1 PHE 401 HB3 -0.09 0.20 0.14 -0.04 3.06 3.27 3my0G1 PHE 401 HD2 -0.44 0.04 -0.22 -0.04 7.28 6.62 3my0G1 PHE 401 HE2 -0.05 -0.02 -0.25 -0.04 7.38 7.02 3my0G1 PHE 401 HZ -0.03 0.10 -0.05 -0.04 7.32 7.30 3my0G1 GLY 402 H 0.21 0.72 0.04 -0.55 8.43 8.85 3my0G1 GLY 402 HA2 -0.14 -0.06 0.46 -0.51 4.01 3.76 3my0G1 GLY 402 HA3 -0.30 0.18 0.36 -0.51 4.01 3.74 3my0G1 LEU 403 H 0.32 0.46 -0.26 -0.55 8.37 8.34 3my0G1 LEU 403 HA 0.32 0.01 0.38 -0.75 4.35 4.31 3my0G1 LEU 403 HB2 0.39 0.15 0.10 -0.04 1.64 2.24 3my0G1 LEU 403 HB3 -0.04 -0.09 0.03 -0.04 1.64 1.50 3my0G1 LEU 403 HG -0.15 0.21 -0.04 -0.04 1.64 1.61 3my0G1 LEU 403 HD13 0.25 0.01 -0.05 -0.04 0.93 1.09 3my0G1 LEU 403 HD23 -0.81 -0.02 -0.03 -0.04 0.89 -0.00 3my0G1 VAL 404 H 0.25 0.46 -0.22 -0.55 8.24 8.17 3my0G1 VAL 404 HA 0.23 -0.04 0.55 -0.75 4.13 4.12 3my0G1 VAL 404 HB 0.01 0.18 0.11 -0.04 2.12 2.38 3my0G1 VAL 404 HG13 -0.02 -0.03 -0.14 -0.04 0.97 0.74 3my0G1 VAL 404 HG23 0.12 0.02 -0.08 -0.04 0.95 0.98 3my0G1 LEU 405 H -0.08 0.57 -0.15 -0.55 8.37 8.15 3my0G1 LEU 405 HA -0.09 -0.03 0.40 -0.75 4.35 3.88 3my0G1 LEU 405 HB2 -0.07 0.22 0.19 -0.04 1.64 1.94 3my0G1 LEU 405 HB3 -0.05 -0.06 -0.04 -0.04 1.64 1.44 3my0G1 LEU 405 HG -0.33 0.13 -0.05 -0.04 1.64 1.36 3my0G1 LEU 405 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.85 3my0G1 LEU 405 HD23 -0.07 -0.03 -0.04 -0.04 0.89 0.72 3my0G1 TRP 406 H 0.32 0.59 -0.10 -0.55 7.97 8.22 3my0G1 TRP 406 HA 0.02 -0.03 0.37 -0.75 4.62 4.24 3my0G1 TRP 406 HB2 0.31 0.07 0.10 -0.04 3.23 3.67 3my0G1 TRP 406 HB3 0.07 0.19 0.14 -0.04 3.23 3.59 3my0G1 TRP 406 HD1 0.16 0.01 -0.12 -0.04 7.22 7.23 3my0G1 TRP 406 HE1 0.00 0.27 -0.16 -0.04 10.20 10.27 3my0G1 TRP 406 HE3 -0.06 0.07 -0.19 -0.04 7.59 7.36 3my0G1 TRP 406 HZ2 0.13 -0.00 -0.02 -0.04 7.44 7.51 3my0G1 TRP 406 HZ3 -0.15 0.19 -0.47 -0.04 7.13 6.66 3my0G1 TRP 406 HH2 0.12 0.01 -0.13 -0.04 7.19 7.15 3my0G1 GLU 407 H 0.35 0.39 -0.27 -0.55 8.60 8.52 3my0G1 GLU 407 HA -0.09 0.06 0.34 -0.75 4.29 3.84 3my0G1 GLU 407 HB2 0.20 0.14 0.14 -0.04 2.09 2.53 3my0G1 GLU 407 HB3 0.26 -0.04 -0.01 -0.04 1.99 2.16 3my0G1 GLU 407 HG2 0.36 0.06 0.07 -0.04 2.34 2.80 3my0G1 GLU 407 HG3 0.42 0.25 0.13 -0.04 2.34 3.10 3my0G1 ILE 408 H 0.02 0.43 -0.18 -0.55 8.25 7.96 3my0G1 ILE 408 HA -0.01 0.03 0.43 -0.75 4.18 3.88 3my0G1 ILE 408 HB -0.04 0.15 0.17 -0.04 1.89 2.13 3my0G1 ILE 408 HG12 0.02 -0.05 -0.04 -0.04 1.49 1.38 3my0G1 ILE 408 HG13 0.01 0.16 0.02 -0.04 1.21 1.35 3my0G1 ILE 408 HG23 -0.02 -0.01 -0.09 -0.04 0.93 0.77 3my0G1 ILE 408 HD13 -0.04 -0.03 -0.14 -0.04 0.88 0.63 3my0G1 ALA 409 H -0.11 0.72 -0.02 -0.55 8.40 8.44 3my0G1 ALA 409 HA -0.11 -0.08 0.30 -0.75 4.34 3.70 3my0G1 ALA 409 HB3 -0.16 -0.01 0.07 -0.04 1.41 1.27 3my0G1 ARG 410 H -0.53 0.78 -0.00 -0.55 8.46 8.16 3my0G1 ARG 410 HA -0.39 -0.07 0.43 -0.75 4.34 3.56 3my0G1 ARG 410 HB2 -1.26 -0.05 0.09 -0.04 1.90 0.63 3my0G1 ARG 410 HB3 -0.64 0.15 0.05 -0.04 1.80 1.32 3my0G1 ARG 410 HG2 -0.36 0.11 -0.31 -0.04 1.67 1.07 3my0G1 ARG 410 HG3 -0.40 -0.12 0.06 -0.04 1.67 1.17 3my0G1 ARG 410 HD2 -0.90 -0.06 -0.02 -0.04 3.22 2.20 3my0G1 ARG 410 HD3 -0.63 -0.06 0.03 -0.04 3.22 2.52 3my0G1 ARG 411 H -0.19 0.34 -0.61 -0.55 8.46 7.46 3my0G1 ARG 411 HA -0.13 0.21 0.69 -0.75 4.34 4.35 3my0G1 ARG 411 HB2 -0.07 0.09 0.10 -0.04 1.90 1.98 3my0G1 ARG 411 HB3 -0.06 -0.06 0.11 -0.04 1.80 1.74 3my0G1 ARG 411 HG2 -0.06 0.04 0.18 -0.04 1.67 1.78 3my0G1 ARG 411 HG3 -0.09 -0.15 0.27 -0.04 1.67 1.66 3my0G1 ARG 411 HD2 -0.08 0.15 -0.07 -0.04 3.22 3.18 3my0G1 ARG 411 HD3 0.04 -0.15 -0.03 -0.04 3.22 3.05 3my0G1 THR 412 H -0.12 0.50 -0.27 -0.55 8.28 7.83 3my0G1 THR 412 HA -0.06 0.11 0.97 -0.75 4.39 4.66 3my0G1 THR 412 HB -0.07 0.05 0.13 -0.04 4.32 4.38 3my0G1 THR 412 HG23 -0.03 -0.03 -0.22 -0.04 1.22 0.90 3my0G1 ILE 413 H -0.04 0.56 0.25 -0.55 8.25 8.47 3my0G1 ILE 413 HA -0.05 0.33 0.40 -0.75 4.18 4.11 3my0G1 ILE 413 HB -0.03 -0.11 0.07 -0.04 1.89 1.78 3my0G1 ILE 413 HG12 -0.05 0.07 -0.20 -0.04 1.49 1.26 3my0G1 ILE 413 HG13 -0.05 0.03 -0.06 -0.04 1.21 1.09 3my0G1 ILE 413 HG23 -0.04 -0.05 -0.39 -0.04 0.93 0.42 3my0G1 ILE 413 HD13 -0.04 -0.03 -0.21 -0.04 0.88 0.56 3my0G1 VAL 414 H -0.04 0.47 0.38 -0.55 8.24 8.51 3my0G1 VAL 414 HA -0.02 0.12 0.92 -0.75 4.13 4.39 3my0G1 VAL 414 HB -0.03 0.05 0.06 -0.04 2.12 2.15 3my0G1 VAL 414 HG13 -0.02 0.02 -0.02 -0.04 0.97 0.90 3my0G1 VAL 414 HG23 -0.04 0.04 -0.16 -0.04 0.95 0.75 3my0G1 ASN 415 H -0.02 0.17 0.15 -0.55 8.53 8.28 3my0G1 ASN 415 HA -0.01 0.02 0.32 -0.75 4.76 4.33 3my0G1 ASN 415 HB2 -0.02 0.05 -0.07 -0.04 2.88 2.80 3my0G1 ASN 415 HB3 -0.01 0.02 0.21 -0.04 2.79 2.97 3my0G1 ASN 415 HD21 -0.01 0.03 0.01 -0.04 7.03 7.02 3my0G1 ASN 415 HD22 -0.01 0.01 -0.03 -0.04 7.74 7.67 3my0G1 GLY 416 H -0.02 -0.04 -0.96 -0.55 8.43 6.85 3my0G1 GLY 416 HA2 -0.02 -0.05 0.19 -0.51 4.01 3.62 3my0G1 GLY 416 HA3 -0.02 0.17 0.84 -0.51 4.01 4.49 3my0G1 ILE 417 H -0.03 0.51 0.17 -0.55 8.25 8.35 3my0G1 ILE 417 HA -0.03 0.15 0.72 -0.75 4.18 4.27 3my0G1 ILE 417 HB -0.03 0.02 -0.32 -0.04 1.89 1.53 3my0G1 ILE 417 HG12 -0.03 -0.03 -0.09 -0.04 1.49 1.30 3my0G1 ILE 417 HG13 -0.04 0.02 -0.16 -0.04 1.21 0.98 3my0G1 ILE 417 HG23 -0.03 0.03 -0.09 -0.04 0.93 0.80 3my0G1 ILE 417 HD13 -0.03 0.00 0.03 -0.04 0.88 0.84 3my0G1 VAL 418 H -0.05 0.24 0.12 -0.55 8.24 8.00 3my0G1 VAL 418 HA -0.07 0.17 0.88 -0.75 4.13 4.36 3my0G1 VAL 418 HB -0.06 -0.08 -0.38 -0.04 2.12 1.55 3my0G1 VAL 418 HG13 -0.06 -0.02 -0.07 -0.04 0.97 0.78 3my0G1 VAL 418 HG23 -0.09 0.12 -0.22 -0.04 0.95 0.72 3my0G1 GLU 419 H -0.11 0.26 0.19 -0.55 8.60 8.40 3my0G1 GLU 419 HA -0.08 -0.03 0.59 -0.75 4.29 4.01 3my0G1 GLU 419 HB2 -0.18 0.19 0.17 -0.04 2.09 2.23 3my0G1 GLU 419 HB3 -0.16 0.10 0.07 -0.04 1.99 1.97 3my0G1 GLU 419 HG2 -0.08 -0.08 0.03 -0.04 2.34 2.17 3my0G1 GLU 419 HG3 -0.10 -0.02 0.06 -0.04 2.34 2.24 3my0G1 ASP 420 H -0.09 -0.00 0.16 -0.55 8.40 7.92 3my0G1 ASP 420 HA -0.07 0.13 0.57 -0.75 4.63 4.51 3my0G1 ASP 420 HB2 -0.05 0.02 0.13 -0.04 2.71 2.77 3my0G1 ASP 420 HB3 -0.06 -0.05 0.14 -0.04 2.70 2.69 3my0G1 TYR 421 H 0.02 0.15 0.14 -0.55 8.29 8.05 3my0G1 TYR 421 HA -0.17 0.07 0.32 -0.75 4.56 4.03 3my0G1 TYR 421 HB2 -0.16 0.30 0.04 -0.04 3.06 3.19 3my0G1 TYR 421 HB3 -0.15 -0.07 0.10 -0.04 2.98 2.81 3my0G1 TYR 421 HD2 -0.14 0.04 -0.21 -0.04 7.15 6.80 3my0G1 TYR 421 HE2 -0.01 -0.07 -0.15 -0.04 6.85 6.58 3my0G1 ARG 422 H -0.73 0.25 0.18 -0.55 8.46 7.61 3my0G1 ARG 422 HA -0.31 0.12 0.44 -0.75 4.34 3.84 3my0G1 PRO 423 HA 0.11 0.11 0.58 -0.51 4.44 4.73 3my0G1 PRO 423 HB2 0.16 0.14 0.00 -0.04 2.28 2.54 3my0G1 PRO 423 HB3 0.34 -0.05 0.07 -0.04 2.02 2.33 3my0G1 PRO 423 HG2 0.17 0.05 -0.05 -0.04 2.03 2.16 3my0G1 PRO 423 HG3 0.21 0.02 0.03 -0.04 2.03 2.25 3my0G1 PRO 423 HD2 0.07 0.08 0.18 -0.04 3.68 3.97 3my0G1 PRO 423 HD3 0.12 0.13 0.09 -0.04 3.65 3.95 3my0G1 PRO 424 HA -0.96 0.02 0.50 -0.51 4.44 3.49 3my0G1 PRO 424 HB2 -0.38 0.09 -0.01 -0.04 2.28 1.94 3my0G1 PRO 424 HB3 -0.79 0.04 0.10 -0.04 2.02 1.33 3my0G1 PRO 424 HG2 -0.32 -0.01 0.01 -0.04 2.03 1.67 3my0G1 PRO 424 HG3 0.05 0.17 0.07 -0.04 2.03 2.28 3my0G1 PRO 424 HD2 0.05 0.03 0.17 -0.04 3.68 3.89 3my0G1 PRO 424 HD3 0.24 0.15 0.19 -0.04 3.65 4.18 3my0G1 PHE 425 H -1.00 0.11 0.15 -0.55 8.34 7.04 3my0G1 PHE 425 HA -0.37 -0.03 0.28 -0.75 4.62 3.74 3my0G1 PHE 425 HB2 -0.19 0.24 -0.02 -0.04 3.15 3.14 3my0G1 PHE 425 HB3 -0.19 -0.08 0.11 -0.04 3.06 2.86 3my0G1 PHE 425 HD2 -0.27 0.02 -0.22 -0.04 7.28 6.77 3my0G1 PHE 425 HE2 -0.22 0.09 -0.25 -0.04 7.38 6.96 3my0G1 PHE 425 HZ -0.18 0.09 -0.06 -0.04 7.32 7.13 3my0G1 TYR 426 H 0.10 0.35 -0.28 -0.55 8.29 7.90 3my0G1 TYR 426 HA 0.03 0.12 0.30 -0.75 4.56 4.25 3my0G1 TYR 426 HB2 0.03 -0.03 0.05 -0.04 3.06 3.07 3my0G1 TYR 426 HB3 0.03 0.19 0.07 -0.04 2.98 3.23 3my0G1 TYR 426 HD2 0.07 0.12 -0.12 -0.04 7.15 7.18 3my0G1 TYR 426 HE2 0.28 -0.00 -0.04 -0.04 6.85 7.04 3my0G1 ASP 427 H -0.66 -0.02 -0.43 -0.55 8.40 6.74 3my0G1 ASP 427 HA -0.16 0.18 0.47 -0.75 4.63 4.36 3my0G1 ASP 427 HB2 -0.24 0.02 0.08 -0.04 2.71 2.53 3my0G1 ASP 427 HB3 -0.81 -0.00 -0.00 -0.04 2.70 1.85 3my0G1 VAL 428 H -0.11 0.28 -0.27 -0.55 8.24 7.59 3my0G1 VAL 428 HA -0.06 0.21 0.93 -0.75 4.13 4.45 3my0G1 VAL 428 HB -0.06 0.00 0.07 -0.04 2.12 2.09 3my0G1 VAL 428 HG13 -0.09 -0.02 -0.23 -0.04 0.97 0.59 3my0G1 VAL 428 HG23 0.00 -0.01 -0.12 -0.04 0.95 0.78 3my0G1 VAL 429 H -0.02 0.36 0.04 -0.55 8.24 8.07 3my0G1 VAL 429 HA -0.03 0.14 0.81 -0.75 4.13 4.29 3my0G1 VAL 429 HB -0.04 -0.11 0.04 -0.04 2.12 1.96 3my0G1 VAL 429 HG13 -0.14 -0.03 -0.28 -0.04 0.97 0.48 3my0G1 VAL 429 HG23 -0.01 0.09 -0.08 -0.04 0.95 0.90 3my0G1 PRO 430 HA 0.03 0.15 0.48 -0.51 4.44 4.59 3my0G1 PRO 430 HB2 0.02 -0.11 0.06 -0.04 2.28 2.21 3my0G1 PRO 430 HB3 0.02 0.08 0.10 -0.04 2.02 2.18 3my0G1 PRO 430 HG2 0.01 -0.11 -0.05 -0.04 2.03 1.84 3my0G1 PRO 430 HG3 0.01 0.06 0.04 -0.04 2.03 2.09 3my0G1 PRO 430 HD2 -0.02 0.06 0.20 -0.04 3.68 3.88 3my0G1 PRO 430 HD3 -0.01 0.20 0.11 -0.04 3.65 3.91 3my0G1 ASN 431 H 0.05 0.12 0.14 -0.55 8.53 8.29 3my0G1 ASN 431 HA 0.08 0.15 0.49 -0.75 4.76 4.72 3my0G1 ASN 431 HB2 0.06 -0.05 0.13 -0.04 2.88 2.97 3my0G1 ASN 431 HB3 0.07 -0.01 -0.05 -0.04 2.79 2.76 3my0G1 ASN 431 HD21 0.08 0.04 0.04 -0.04 7.03 7.15 3my0G1 ASN 431 HD22 0.06 -0.04 0.08 -0.04 7.74 7.80 3my0G1 ASP 432 H 0.04 -0.03 -0.47 -0.55 8.40 7.39 3my0G1 ASP 432 HA 0.05 0.20 0.60 -0.75 4.63 4.73 3my0G1 ASP 432 HB2 0.04 -0.00 0.10 -0.04 2.71 2.81 3my0G1 ASP 432 HB3 0.04 0.00 -0.05 -0.04 2.70 2.65 3my0G1 PRO 433 HA 0.00 -0.07 0.05 -0.51 4.44 3.91 3my0G1 PRO 433 HB2 -0.04 0.01 -0.15 -0.04 2.28 2.06 3my0G1 PRO 433 HB3 -0.02 0.15 -0.04 -0.04 2.02 2.07 3my0G1 PRO 433 HG2 0.04 -0.14 -0.04 -0.04 2.03 1.85 3my0G1 PRO 433 HG3 0.03 0.06 -0.06 -0.04 2.03 2.02 3my0G1 PRO 433 HD2 0.06 0.05 -0.20 -0.04 3.68 3.55 3my0G1 PRO 433 HD3 0.05 0.33 -0.41 -0.04 3.65 3.58 3my0G1 SER 434 H 0.01 0.04 0.02 -0.55 8.46 7.98 3my0G1 SER 434 HA 0.06 0.21 0.67 -0.75 4.49 4.68 3my0G1 SER 434 HB2 0.06 0.01 0.12 -0.04 3.95 4.11 3my0G1 SER 434 HB3 0.03 0.12 0.12 -0.04 3.93 4.16 3my0G1 PHE 435 H 0.20 0.21 0.19 -0.55 8.34 8.39 3my0G1 PHE 435 HA -0.02 0.13 0.43 -0.75 4.62 4.40 3my0G1 PHE 435 HB2 -0.00 0.06 0.20 -0.04 3.15 3.36 3my0G1 PHE 435 HB3 -0.01 -0.11 0.17 -0.04 3.06 3.08 3my0G1 PHE 435 HD2 -0.01 -0.04 -0.04 -0.04 7.28 7.15 3my0G1 PHE 435 HE2 -0.02 0.05 -0.02 -0.04 7.38 7.35 3my0G1 PHE 435 HZ -0.02 0.16 0.04 -0.04 7.32 7.45 3my0G1 GLU 436 H 0.20 0.09 -0.19 -0.55 8.60 8.15 3my0G1 GLU 436 HA 0.03 0.09 0.20 -0.75 4.29 3.86 3my0G1 ASP 437 H -0.01 -0.01 -0.34 -0.55 8.40 7.49 3my0G1 ASP 437 HA -0.06 0.05 0.47 -0.75 4.63 4.34 3my0G1 ASP 437 HB2 -0.05 0.14 0.11 -0.04 2.71 2.87 3my0G1 ASP 437 HB3 -0.07 0.08 0.02 -0.04 2.70 2.70 3my0G1 MET 438 H -0.16 0.62 -0.15 -0.55 8.47 8.23 3my0G1 MET 438 HA -0.29 0.04 0.41 -0.75 4.52 3.92 3my0G1 MET 438 HB2 -0.30 0.08 0.10 -0.04 2.15 1.99 3my0G1 MET 438 HB3 -0.30 0.04 -0.05 -0.04 2.03 1.68 3my0G1 MET 438 HG2 -0.12 -0.03 -0.28 -0.04 2.63 2.16 3my0G1 MET 438 HG3 -0.12 0.09 -0.40 -0.04 2.56 2.09 3my0G1 MET 438 HE3 -0.58 0.02 -0.04 -0.04 2.10 1.46 3my0G1 LYS 439 H -0.36 0.61 0.03 -0.55 8.42 8.15 3my0G1 LYS 439 HA -0.29 0.01 0.37 -0.75 4.32 3.66 3my0G1 LYS 439 HB2 -0.49 0.02 0.04 -0.04 1.87 1.40 3my0G1 LYS 439 HB3 -0.16 0.03 0.09 -0.04 1.79 1.70 3my0G1 LYS 439 HG2 -0.12 -0.09 -0.11 -0.04 1.46 1.11 3my0G1 LYS 439 HG3 -0.17 0.15 -0.08 -0.04 1.46 1.33 3my0G1 LYS 439 HD2 0.05 -0.06 -0.02 -0.04 1.69 1.61 3my0G1 LYS 439 HD3 -0.02 -0.04 -0.06 -0.04 1.68 1.52 3my0G1 LYS 439 HE2 0.04 0.24 0.03 -0.04 2.99 3.27 3my0G1 LYS 439 HE3 0.08 -0.05 -0.01 -0.04 2.99 2.97 3my0G1 LYS 440 H -0.13 0.58 -0.23 -0.55 8.42 8.08 3my0G1 LYS 440 HA -0.08 -0.03 0.46 -0.75 4.32 3.91 3my0G1 LYS 440 HB2 -0.06 -0.03 0.11 -0.04 1.87 1.85 3my0G1 LYS 440 HB3 -0.09 0.18 0.17 -0.04 1.79 2.02 3my0G1 LYS 440 HG2 -0.07 0.04 -0.27 -0.04 1.46 1.12 3my0G1 LYS 440 HG3 -0.05 -0.06 0.01 -0.04 1.46 1.32 3my0G1 LYS 440 HD2 -0.04 -0.05 0.00 -0.04 1.69 1.57 3my0G1 LYS 440 HD3 -0.05 0.01 0.02 -0.04 1.68 1.62 3my0G1 LYS 440 HE2 -0.03 -0.03 -0.01 -0.04 2.99 2.88 3my0G1 LYS 440 HE3 -0.05 0.06 -0.02 -0.04 2.99 2.95 3my0G1 VAL 441 H -0.17 0.43 -0.13 -0.55 8.24 7.82 3my0G1 VAL 441 HA -0.11 0.02 0.42 -0.75 4.13 3.71 3my0G1 VAL 441 HB -0.31 0.07 0.17 -0.04 2.12 2.01 3my0G1 VAL 441 HG13 -0.30 -0.01 -0.21 -0.04 0.97 0.41 3my0G1 VAL 441 HG23 -0.13 -0.00 -0.01 -0.04 0.95 0.77 3my0G1 VAL 442 H -0.25 0.76 0.03 -0.55 8.24 8.23 3my0G1 VAL 442 HA -0.10 0.21 0.44 -0.75 4.13 3.93 3my0G1 VAL 442 HB -0.27 0.01 0.02 -0.04 2.12 1.84 3my0G1 VAL 442 HG13 -0.20 0.01 -0.12 -0.04 0.97 0.62 3my0G1 VAL 442 HG23 -0.39 0.03 -0.04 -0.04 0.95 0.50 3my0G1 CYS 443 H -0.15 0.40 -0.05 -0.55 8.50 8.16 3my0G1 CYS 443 HA -0.09 0.15 0.74 -0.75 4.58 4.63 3my0G1 CYS 443 HB2 -0.11 0.16 0.17 -0.04 2.97 3.14 3my0G1 CYS 443 HB3 -0.09 -0.04 -0.01 -0.04 2.97 2.79 3my0G1 VAL 444 H -0.09 0.35 0.18 -0.55 8.24 8.13 3my0G1 VAL 444 HA -0.04 0.05 0.51 -0.75 4.13 3.89 3my0G1 VAL 444 HB -0.06 0.06 0.31 -0.04 2.12 2.39 3my0G1 VAL 444 HG13 -0.03 -0.01 -0.13 -0.04 0.97 0.75 3my0G1 VAL 444 HG23 -0.04 -0.02 0.02 -0.04 0.95 0.86 3my0G1 ASP 445 H -0.06 0.66 0.08 -0.55 8.40 8.53 3my0G1 ASP 445 HA -0.03 0.06 0.54 -0.75 4.63 4.45 3my0G1 ASP 445 HB2 -0.06 0.14 0.18 -0.04 2.71 2.93 3my0G1 ASP 445 HB3 -0.03 -0.07 0.11 -0.04 2.70 2.67 3my0G1 GLN 446 H -0.04 0.01 -0.87 -0.55 8.47 7.02 3my0G1 GLN 446 HA 0.00 0.24 0.21 -0.75 4.36 4.06 3my0G1 GLN 446 HB2 -0.00 0.03 -0.29 -0.04 2.15 1.85 3my0G1 GLN 446 HB3 0.01 0.04 0.00 -0.04 2.02 2.03 3my0G1 GLN 446 HG2 0.04 -0.09 0.07 -0.04 2.40 2.38 3my0G1 GLN 446 HG3 0.05 0.05 0.09 -0.04 2.39 2.53 3my0G1 GLN 446 HE21 0.01 -0.07 0.02 -0.04 6.97 6.89 3my0G1 GLN 446 HE22 0.03 -0.04 0.03 -0.04 7.69 7.67 3my0G1 GLN 447 H -0.02 0.46 -0.12 -0.55 8.47 8.25 3my0G1 GLN 447 HA 0.00 0.05 0.51 -0.75 4.36 4.17 3my0G1 GLN 447 HB2 -0.02 0.04 -0.01 -0.04 2.15 2.11 3my0G1 GLN 447 HB3 0.04 -0.08 -0.17 -0.04 2.02 1.77 3my0G1 GLN 447 HG2 0.05 -0.13 -0.16 -0.04 2.40 2.12 3my0G1 GLN 447 HG3 -0.03 0.07 0.01 -0.04 2.39 2.40 3my0G1 GLN 447 HE21 -0.03 -0.05 -0.01 -0.04 6.97 6.84 3my0G1 GLN 447 HE22 -0.02 0.09 -0.02 -0.04 7.69 7.70 3my0G1 THR 448 H -0.06 0.21 0.19 -0.55 8.28 8.06 3my0G1 THR 448 HA -0.29 0.15 0.54 -0.75 4.39 4.03 3my0G1 THR 448 HB -0.73 0.02 0.05 -0.04 4.32 3.61 3my0G1 THR 448 HG23 -0.06 0.03 -0.13 -0.04 1.22 1.02 3my0G1 PRO 449 HA -0.79 -0.05 0.45 -0.51 4.44 3.54 3my0G1 PRO 449 HB2 -1.34 0.05 0.01 -0.04 2.28 0.96 3my0G1 PRO 449 HB3 -2.10 -0.05 0.09 -0.04 2.02 -0.08 3my0G1 PRO 449 HG2 -1.50 0.06 0.06 -0.04 2.03 0.60 3my0G1 PRO 449 HG3 -2.05 -0.05 0.06 -0.04 2.03 -0.04 3my0G1 PRO 449 HD2 -2.39 0.14 0.13 -0.04 3.68 1.51 3my0G1 PRO 449 HD3 -1.36 0.20 0.13 -0.04 3.65 2.57 3my0G1 THR 450 H -0.19 0.03 0.16 -0.55 8.28 7.74 3my0G1 THR 450 HA 0.01 0.10 0.33 -0.75 4.39 4.08 3my0G1 THR 450 HB 0.03 0.03 0.05 -0.04 4.32 4.39 3my0G1 THR 450 HG23 -0.05 0.00 0.09 -0.04 1.22 1.22 3my0G1 ILE 451 H 0.16 0.15 0.17 -0.55 8.25 8.18 3my0G1 ILE 451 HA 0.31 0.13 0.59 -0.75 4.18 4.46 3my0G1 ILE 451 HB 0.12 -0.05 0.11 -0.04 1.89 2.03 3my0G1 ILE 451 HG12 0.30 -0.01 0.00 -0.04 1.49 1.74 3my0G1 ILE 451 HG13 0.35 0.12 0.05 -0.04 1.21 1.69 3my0G1 ILE 451 HG23 0.08 0.00 -0.14 -0.04 0.93 0.83 3my0G1 ILE 451 HD13 0.06 -0.01 0.01 -0.04 0.88 0.90 3my0G1 PRO 452 HA 0.05 0.05 0.44 -0.51 4.44 4.48 3my0G1 PRO 452 HB2 -0.02 -0.10 0.06 -0.04 2.28 2.17 3my0G1 PRO 452 HB3 0.01 0.03 0.08 -0.04 2.02 2.10 3my0G1 PRO 452 HG2 -0.10 0.07 0.07 -0.04 2.03 2.03 3my0G1 PRO 452 HG3 0.06 0.12 0.09 -0.04 2.03 2.25 3my0G1 PRO 452 HD2 0.03 0.04 0.19 -0.04 3.68 3.90 3my0G1 PRO 452 HD3 0.22 0.32 0.35 -0.04 3.65 4.49 3my0G1 ASN 453 H 0.03 0.19 0.19 -0.55 8.53 8.39 3my0G1 ASN 453 HA 0.02 0.10 0.33 -0.75 4.76 4.46 3my0G1 ASN 453 HB2 0.01 -0.02 0.09 -0.04 2.88 2.92 3my0G1 ASN 453 HB3 0.01 0.02 0.03 -0.04 2.79 2.81 3my0G1 ASN 453 HD21 0.02 0.03 0.02 -0.04 7.03 7.06 3my0G1 ASN 453 HD22 0.02 -0.01 0.03 -0.04 7.74 7.73 3my0G1 ARG 454 H -0.00 0.05 -0.35 -0.55 8.46 7.61 3my0G1 ARG 454 HA -0.01 0.07 0.39 -0.75 4.34 4.04 3my0G1 ARG 454 HB2 -0.02 -0.02 0.03 -0.04 1.90 1.86 3my0G1 ARG 454 HB3 -0.03 0.05 -0.06 -0.04 1.80 1.72 3my0G1 ARG 454 HG2 -0.03 -0.01 -0.18 -0.04 1.67 1.41 3my0G1 ARG 454 HG3 -0.02 -0.02 -0.00 -0.04 1.67 1.59 3my0G1 ARG 454 HD2 -0.03 0.00 -0.06 -0.04 3.22 3.09 3my0G1 ARG 454 HD3 -0.03 -0.02 -0.04 -0.04 3.22 3.09 3my0G1 LEU 455 H -0.01 0.46 -0.30 -0.55 8.37 7.97 3my0G1 LEU 455 HA -0.03 -0.02 0.21 -0.75 4.35 3.76 3my0G1 LEU 455 HB2 -0.01 0.19 0.06 -0.04 1.64 1.84 3my0G1 LEU 455 HB3 -0.02 0.04 -0.16 -0.04 1.64 1.47 3my0G1 LEU 455 HG -0.05 -0.06 -0.01 -0.04 1.64 1.48 3my0G1 LEU 455 HD13 -0.05 0.03 -0.02 -0.04 0.93 0.85 3my0G1 LEU 455 HD23 -0.03 0.01 0.00 -0.04 0.89 0.83 3my0G1 ALA 456 H -0.00 0.26 -0.30 -0.55 8.40 7.80 3my0G1 ALA 456 HA -0.01 0.01 0.34 -0.75 4.34 3.93 3my0G1 ALA 456 HB3 0.00 0.03 0.06 -0.04 1.41 1.46 3my0G1 ALA 457 H -0.01 0.29 -0.61 -0.55 8.40 7.53 3my0G1 ALA 457 HA -0.00 0.21 0.91 -0.75 4.34 4.70 3my0G1 ALA 457 HB3 -0.01 0.00 0.03 -0.04 1.41 1.39 3my0G1 ASP 458 H -0.01 0.48 0.03 -0.55 8.40 8.35 3my0G1 ASP 458 HA -0.01 0.22 0.89 -0.75 4.63 4.97 3my0G1 ASP 458 HB2 -0.02 0.09 0.05 -0.04 2.71 2.79 3my0G1 ASP 458 HB3 -0.02 -0.16 0.16 -0.04 2.70 2.64 3my0G1 PRO 459 HA -0.00 0.11 0.37 -0.51 4.44 4.41 3my0G1 PRO 459 HB2 0.00 0.00 0.09 -0.04 2.28 2.34 3my0G1 PRO 459 HB3 0.00 0.09 0.10 -0.04 2.02 2.17 3my0G1 PRO 459 HG2 0.00 0.05 0.10 -0.04 2.03 2.15 3my0G1 PRO 459 HG3 -0.00 0.08 0.07 -0.04 2.03 2.14 3my0G1 PRO 459 HD2 -0.00 0.03 0.23 -0.04 3.68 3.90 3my0G1 PRO 459 HD3 -0.00 0.28 0.15 -0.04 3.65 4.03 3my0G1 VAL 460 H -0.00 0.07 -0.22 -0.55 8.24 7.54 3my0G1 VAL 460 HA -0.01 0.14 0.30 -0.75 4.13 3.81 3my0G1 VAL 460 HB -0.00 -0.10 0.10 -0.04 2.12 2.08 3my0G1 VAL 460 HG13 -0.02 0.04 -0.15 -0.04 0.97 0.80 3my0G1 VAL 460 HG23 0.01 0.02 -0.05 -0.04 0.95 0.89 3my0G1 LEU 461 H -0.02 0.05 -0.06 -0.55 8.37 7.80 3my0G1 LEU 461 HA -0.03 -0.01 0.13 -0.75 4.35 3.68 3my0G1 LEU 461 HB2 -0.03 0.07 0.11 -0.04 1.64 1.76 3my0G1 LEU 461 HB3 -0.04 0.01 0.09 -0.04 1.64 1.66 3my0G1 LEU 461 HG -0.03 -0.11 0.04 -0.04 1.64 1.50 3my0G1 LEU 461 HD13 -0.05 0.02 -0.04 -0.04 0.93 0.82 3my0G1 LEU 461 HD23 -0.05 0.00 -0.04 -0.04 0.89 0.77 3my0G1 SER 462 H -0.02 0.55 -0.45 -0.55 8.46 8.00 3my0G1 SER 462 HA -0.02 -0.01 0.36 -0.75 4.49 4.06 3my0G1 SER 462 HB2 -0.01 -0.07 -0.00 -0.04 3.95 3.83 3my0G1 SER 462 HB3 -0.01 0.13 -0.00 -0.04 3.93 4.00 3my0G1 GLY 463 H -0.02 0.53 -0.00 -0.55 8.43 8.39 3my0G1 GLY 463 HA2 -0.03 0.01 0.44 -0.51 4.01 3.93 3my0G1 GLY 463 HA3 -0.02 0.11 0.32 -0.51 4.01 3.92 3my0G1 LEU 464 H -0.03 0.36 -0.14 -0.55 8.37 8.02 3my0G1 LEU 464 HA -0.04 0.01 0.39 -0.75 4.35 3.97 3my0G1 LEU 464 HB2 -0.04 0.10 0.03 -0.04 1.64 1.69 3my0G1 LEU 464 HB3 -0.04 -0.01 -0.08 -0.04 1.64 1.47 3my0G1 LEU 464 HG -0.02 0.03 -0.14 -0.04 1.64 1.46 3my0G1 LEU 464 HD13 -0.03 0.00 -0.14 -0.04 0.93 0.72 3my0G1 LEU 464 HD23 -0.00 -0.01 -0.07 -0.04 0.89 0.77 3my0G1 ALA 465 H -0.04 0.49 -0.39 -0.55 8.40 7.91 3my0G1 ALA 465 HA -0.06 -0.01 0.40 -0.75 4.34 3.92 3my0G1 ALA 465 HB3 -0.02 0.07 0.09 -0.04 1.41 1.50 3my0G1 GLN 466 H -0.06 0.54 -0.10 -0.55 8.47 8.30 3my0G1 GLN 466 HA -0.08 0.01 0.43 -0.75 4.36 3.97 3my0G1 GLN 466 HB2 -0.03 0.04 0.10 -0.04 2.15 2.22 3my0G1 GLN 466 HB3 -0.05 0.10 0.13 -0.04 2.02 2.16 3my0G1 GLN 466 HG2 -0.02 -0.01 -0.01 -0.04 2.40 2.32 3my0G1 GLN 466 HG3 -0.04 -0.02 -0.12 -0.04 2.39 2.16 3my0G1 GLN 466 HE21 0.03 0.00 -0.00 -0.04 6.97 6.96 3my0G1 GLN 466 HE22 -0.00 -0.00 -0.01 -0.04 7.69 7.63 3my0G1 MET 467 H -0.10 0.58 -0.18 -0.55 8.47 8.23 3my0G1 MET 467 HA -0.15 0.01 0.48 -0.75 4.52 4.11 3my0G1 MET 467 HB2 -0.07 0.10 0.12 -0.04 2.15 2.27 3my0G1 MET 467 HB3 -0.07 -0.03 -0.10 -0.04 2.03 1.80 3my0G1 MET 467 HG2 -0.07 -0.05 -0.01 -0.04 2.63 2.45 3my0G1 MET 467 HG3 -0.06 0.01 -0.03 -0.04 2.56 2.44 3my0G1 MET 467 HE3 0.08 -0.00 -0.09 -0.04 2.10 2.05 3my0G1 MET 468 H -0.26 0.66 -0.13 -0.55 8.47 8.19 3my0G1 MET 468 HA -0.81 -0.03 0.48 -0.75 4.52 3.40 3my0G1 MET 468 HB2 -0.37 0.21 0.22 -0.04 2.15 2.17 3my0G1 MET 468 HB3 -1.27 -0.02 -0.06 -0.04 2.03 0.64 3my0G1 MET 468 HG2 -0.36 0.09 0.10 -0.04 2.63 2.42 3my0G1 MET 468 HG3 -0.20 0.09 0.01 -0.04 2.56 2.42 3my0G1 MET 468 HE3 -0.02 0.02 -0.31 -0.04 2.10 1.75 3my0G1 ARG 469 H -0.36 0.52 -0.13 -0.55 8.46 7.95 3my0G1 ARG 469 HA -0.20 0.03 0.35 -0.75 4.34 3.77 3my0G1 ARG 469 HB2 -0.17 0.19 0.17 -0.04 1.90 2.05 3my0G1 ARG 469 HB3 -0.10 -0.05 -0.01 -0.04 1.80 1.60 3my0G1 ARG 469 HG2 0.01 -0.04 0.04 -0.04 1.67 1.64 3my0G1 ARG 469 HG3 -0.09 0.21 0.09 -0.04 1.67 1.85 3my0G1 ARG 469 HD2 -0.03 -0.03 -0.07 -0.04 3.22 3.06 3my0G1 ARG 469 HD3 -0.00 -0.01 0.01 -0.04 3.22 3.17 3my0G1 GLU 470 H -0.38 0.42 -0.32 -0.55 8.60 7.77 3my0G1 GLU 470 HA -1.30 0.06 0.39 -0.75 4.29 2.69 3my0G1 GLU 470 HB2 -0.21 0.06 0.11 -0.04 2.09 2.00 3my0G1 GLU 470 HB3 -0.17 -0.07 0.16 -0.04 1.99 1.87 3my0G1 GLU 470 HG2 -0.13 -0.02 -0.03 -0.04 2.34 2.12 3my0G1 GLU 470 HG3 -0.17 0.18 0.06 -0.04 2.34 2.36 3my0G1 CYS 471 H -0.55 0.41 -0.50 -0.55 8.50 7.31 3my0G1 CYS 471 HA -0.09 0.03 0.80 -0.75 4.58 4.57 3my0G1 CYS 471 HB2 -0.87 0.19 0.21 -0.04 2.97 2.47 3my0G1 CYS 471 HB3 -0.16 -0.00 0.08 -0.04 2.97 2.85 3my0G1 TRP 472 H -0.31 0.43 -0.20 -0.55 7.97 7.34 3my0G1 TRP 472 HA 0.05 0.15 0.73 -0.75 4.62 4.80 3my0G1 TRP 472 HB2 -0.17 0.05 0.10 -0.04 3.23 3.16 3my0G1 TRP 472 HB3 -0.18 -0.03 0.14 -0.04 3.23 3.12 3my0G1 TRP 472 HD1 -0.96 0.11 -0.26 -0.04 7.22 6.07 3my0G1 TRP 472 HE1 -0.64 0.04 -0.03 -0.04 10.20 9.53 3my0G1 TRP 472 HE3 -0.18 -0.00 -0.10 -0.04 7.59 7.27 3my0G1 TRP 472 HZ2 -0.23 -0.02 -0.65 -0.04 7.44 6.49 3my0G1 TRP 472 HZ3 -0.11 0.05 -0.08 -0.04 7.13 6.95 3my0G1 TRP 472 HH2 -0.08 -0.06 -0.07 -0.04 7.19 6.94 3my0G1 TYR 473 H 0.01 0.08 -0.32 -0.55 8.29 7.51 3my0G1 TYR 473 HA 0.14 0.08 0.50 -0.75 4.56 4.52 3my0G1 TYR 473 HB2 0.04 0.01 -0.12 -0.04 3.06 2.95 3my0G1 TYR 473 HB3 0.02 -0.09 -0.05 -0.04 2.98 2.81 3my0G1 TYR 473 HD2 0.03 0.06 -0.22 -0.04 7.15 6.97 3my0G1 TYR 473 HE2 0.01 0.00 -0.03 -0.04 6.85 6.79 3my0G1 PRO 474 HA 0.13 0.08 0.40 -0.51 4.44 4.54 3my0G1 PRO 474 HB2 0.04 -0.07 0.02 -0.04 2.28 2.22 3my0G1 PRO 474 HB3 0.04 0.04 0.09 -0.04 2.02 2.15 3my0G1 PRO 474 HG2 0.09 -0.00 0.10 -0.04 2.03 2.17 3my0G1 PRO 474 HG3 0.15 0.15 0.11 -0.04 2.03 2.40 3my0G1 PRO 474 HD2 0.15 -0.01 0.21 -0.04 3.68 3.99 3my0G1 PRO 474 HD3 0.28 0.27 0.29 -0.04 3.65 4.45 3my0G1 ASN 475 H 0.02 0.10 -0.18 -0.55 8.53 7.92 3my0G1 ASN 475 HA -0.08 0.13 0.69 -0.75 4.76 4.75 3my0G1 ASN 475 HB2 -0.07 0.05 0.06 -0.04 2.88 2.88 3my0G1 ASN 475 HB3 -0.09 0.01 0.12 -0.04 2.79 2.79 3my0G1 ASN 475 HD21 -0.13 0.01 -0.07 -0.04 7.03 6.80 3my0G1 ASN 475 HD22 -0.12 0.05 -0.02 -0.04 7.74 7.61 3my0G1 PRO 476 HA -0.16 0.21 0.22 -0.51 4.44 4.21 3my0G1 PRO 476 HB2 -0.52 -0.04 -0.00 -0.04 2.28 1.67 3my0G1 PRO 476 HB3 -0.03 0.01 0.06 -0.04 2.02 2.01 3my0G1 PRO 476 HG2 -0.05 -0.03 0.08 -0.04 2.03 1.98 3my0G1 PRO 476 HG3 -0.05 0.07 0.10 -0.04 2.03 2.10 3my0G1 PRO 476 HD2 -0.16 0.01 0.18 -0.04 3.68 3.67 3my0G1 PRO 476 HD3 -0.09 0.42 0.42 -0.04 3.65 4.36 3my0G1 SER 477 H -0.59 0.08 -0.32 -0.55 8.46 7.08 3my0G1 SER 477 HA -1.56 0.10 0.40 -0.75 4.49 2.68 3my0G1 SER 477 HB2 -0.27 0.04 0.02 -0.04 3.95 3.70 3my0G1 SER 477 HB3 -0.77 -0.04 0.03 -0.04 3.93 3.11 3my0G1 ALA 478 H -0.24 0.45 -0.31 -0.55 8.40 7.75 3my0G1 ALA 478 HA -0.06 0.05 0.59 -0.75 4.34 4.16 3my0G1 ALA 478 HB3 -0.11 0.00 0.06 -0.04 1.41 1.32 3my0G1 ARG 479 H -0.15 0.24 -0.36 -0.55 8.46 7.64 3my0G1 ARG 479 HA 0.10 0.21 0.45 -0.75 4.34 4.35 3my0G1 ARG 479 HB2 0.01 0.04 0.12 -0.04 1.90 2.03 3my0G1 ARG 479 HB3 0.09 0.01 0.14 -0.04 1.80 2.00 3my0G1 ARG 479 HG2 0.11 -0.08 -0.24 -0.04 1.67 1.42 3my0G1 ARG 479 HG3 0.09 -0.09 -0.09 -0.04 1.67 1.54 3my0G1 ARG 479 HD2 0.16 -0.08 0.12 -0.04 3.22 3.38 3my0G1 ARG 479 HD3 0.30 0.12 0.08 -0.04 3.22 3.69 3my0G1 LEU 480 H -0.01 0.39 0.21 -0.55 8.37 8.40 3my0G1 LEU 480 HA 0.05 0.01 0.49 -0.75 4.35 4.15 3my0G1 LEU 480 HB2 -0.05 0.03 -0.00 -0.04 1.64 1.57 3my0G1 LEU 480 HB3 -0.03 -0.05 -0.00 -0.04 1.64 1.52 3my0G1 LEU 480 HG -0.05 0.08 0.05 -0.04 1.64 1.68 3my0G1 LEU 480 HD13 -0.07 -0.01 -0.07 -0.04 0.93 0.74 3my0G1 LEU 480 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.84 3my0G1 THR 481 H 0.05 0.04 0.18 -0.55 8.28 8.00 3my0G1 THR 481 HA 0.11 0.24 0.68 -0.75 4.39 4.66 3my0G1 THR 481 HB 0.05 -0.04 0.16 -0.04 4.32 4.46 3my0G1 THR 481 HG23 0.13 0.06 0.04 -0.04 1.22 1.41 3my0G1 ALA 482 H -0.01 0.22 0.13 -0.55 8.40 8.20 3my0G1 ALA 482 HA -0.32 0.12 0.44 -0.75 4.34 3.83 3my0G1 ALA 482 HB3 -0.35 0.04 -0.01 -0.04 1.41 1.05 3my0G1 LEU 483 H -0.04 0.09 -0.11 -0.55 8.37 7.76 3my0G1 LEU 483 HA -0.05 0.13 0.43 -0.75 4.35 4.11 3my0G1 LEU 483 HB2 -0.01 0.04 0.11 -0.04 1.64 1.75 3my0G1 LEU 483 HB3 0.00 -0.04 0.05 -0.04 1.64 1.61 3my0G1 LEU 483 HG 0.01 0.00 -0.10 -0.04 1.64 1.50 3my0G1 LEU 483 HD13 0.00 0.01 0.02 -0.04 0.93 0.92 3my0G1 LEU 483 HD23 0.02 0.02 0.00 -0.04 0.89 0.89 3my0G1 ARG 484 H -0.03 0.05 -0.31 -0.55 8.46 7.62 3my0G1 ARG 484 HA -0.01 0.07 0.34 -0.75 4.34 3.98 3my0G1 ARG 484 HB2 0.00 -0.10 0.13 -0.04 1.90 1.89 3my0G1 ARG 484 HB3 -0.02 0.11 0.03 -0.04 1.80 1.88 3my0G1 ARG 484 HG2 0.00 0.06 -0.01 -0.04 1.67 1.68 3my0G1 ARG 484 HG3 -0.01 -0.01 0.05 -0.04 1.67 1.67 3my0G1 ARG 484 HD2 0.01 -0.01 0.00 -0.04 3.22 3.18 3my0G1 ARG 484 HD3 0.02 -0.03 0.03 -0.04 3.22 3.21 3my0G1 ILE 485 H -0.10 0.41 -0.25 -0.55 8.25 7.76 3my0G1 ILE 485 HA -0.07 0.04 0.42 -0.75 4.18 3.81 3my0G1 ILE 485 HB -0.29 0.06 0.12 -0.04 1.89 1.74 3my0G1 ILE 485 HG12 -0.11 -0.02 -0.05 -0.04 1.49 1.27 3my0G1 ILE 485 HG13 -0.13 0.09 -0.06 -0.04 1.21 1.06 3my0G1 ILE 485 HG23 -0.16 -0.01 -0.18 -0.04 0.93 0.55 3my0G1 ILE 485 HD13 -0.31 -0.01 -0.16 -0.04 0.88 0.37 3my0G1 LYS 486 H -0.13 0.66 -0.06 -0.55 8.42 8.34 3my0G1 LYS 486 HA -0.04 -0.02 0.41 -0.75 4.32 3.92 3my0G1 LYS 486 HB2 -0.08 0.09 0.02 -0.04 1.87 1.86 3my0G1 LYS 486 HB3 -0.04 0.11 0.15 -0.04 1.79 1.96 3my0G1 LYS 486 HG2 -0.01 -0.02 -0.23 -0.04 1.46 1.16 3my0G1 LYS 486 HG3 -0.01 -0.02 -0.07 -0.04 1.46 1.32 3my0G1 LYS 486 HD2 0.00 -0.01 -0.02 -0.04 1.69 1.62 3my0G1 LYS 486 HD3 -0.01 -0.00 -0.02 -0.04 1.68 1.61 3my0G1 LYS 486 HE2 0.01 0.00 -0.07 -0.04 2.99 2.89 3my0G1 LYS 486 HE3 0.02 -0.02 -0.05 -0.04 2.99 2.90 3my0G1 LYS 487 H -0.03 0.57 -0.21 -0.55 8.42 8.20 3my0G1 LYS 487 HA -0.01 -0.02 0.23 -0.75 4.32 3.78 3my0G1 LYS 487 HB2 -0.01 0.06 0.14 -0.04 1.87 2.02 3my0G1 LYS 487 HB3 -0.00 -0.03 -0.02 -0.04 1.79 1.70 3my0G1 LYS 487 HG2 0.00 -0.04 0.00 -0.04 1.46 1.38 3my0G1 LYS 487 HG3 -0.01 0.13 0.05 -0.04 1.46 1.59 3my0G1 LYS 487 HD2 0.00 -0.05 -0.10 -0.04 1.69 1.50 3my0G1 LYS 487 HD3 0.00 -0.01 -0.03 -0.04 1.68 1.60 3my0G1 LYS 487 HE2 0.01 0.00 -0.03 -0.04 2.99 2.93 3my0G1 LYS 487 HE3 0.01 -0.01 -0.05 -0.04 2.99 2.90 3my0G1 THR 488 H -0.02 0.57 -0.13 -0.55 8.28 8.15 3my0G1 THR 488 HA -0.01 0.01 0.36 -0.75 4.39 4.00 3my0G1 THR 488 HB -0.02 0.05 0.15 -0.04 4.32 4.45 3my0G1 THR 488 HG23 -0.02 -0.02 -0.15 -0.04 1.22 0.99 3my0G1 LEU 489 H -0.01 0.56 -0.04 -0.55 8.37 8.33 3my0G1 LEU 489 HA -0.01 0.01 0.39 -0.75 4.35 3.99 3my0G1 LEU 489 HB2 0.01 0.10 0.06 -0.04 1.64 1.77 3my0G1 LEU 489 HB3 0.00 -0.06 -0.04 -0.04 1.64 1.51 3my0G1 LEU 489 HG 0.00 -0.03 -0.03 -0.04 1.64 1.54 3my0G1 LEU 489 HD13 0.06 0.09 -0.17 -0.04 0.93 0.87 3my0G1 LEU 489 HD23 0.02 -0.02 -0.08 -0.04 0.89 0.76 3my0G1 GLN 490 H -0.00 0.54 -0.12 -0.55 8.47 8.35 3my0G1 GLN 490 HA -0.00 -0.04 0.58 -0.75 4.36 4.14 3my0G1 GLN 490 HB2 -0.00 0.24 0.11 -0.04 2.15 2.46 3my0G1 GLN 490 HB3 0.00 -0.04 -0.04 -0.04 2.02 1.90 3my0G1 GLN 490 HG2 0.00 -0.07 0.05 -0.04 2.40 2.35 3my0G1 GLN 490 HG3 0.00 -0.04 0.05 -0.04 2.39 2.36 3my0G1 GLN 490 HE21 0.02 -0.02 -0.04 -0.04 6.97 6.88 3my0G1 GLN 490 HE22 0.01 -0.03 -0.03 -0.04 7.69 7.60 3my0G1 LYS 491 H -0.00 0.45 -0.43 -0.55 8.42 7.89 3my0G1 LYS 491 HA 0.00 0.01 0.44 -0.75 4.32 4.02 3my0G1 LYS 491 HB2 -0.00 0.19 0.21 -0.04 1.87 2.23 3my0G1 LYS 491 HB3 -0.00 -0.03 -0.06 -0.04 1.79 1.66 3my0G1 LYS 491 HG2 0.00 -0.04 0.07 -0.04 1.46 1.45 3my0G1 LYS 491 HG3 0.00 -0.01 0.01 -0.04 1.46 1.42 3my0G1 LYS 491 HD2 -0.00 0.00 0.00 -0.04 1.69 1.65 3my0G1 LYS 491 HD3 -0.00 -0.01 -0.00 -0.04 1.68 1.63 3my0G1 LYS 491 HE2 0.00 -0.03 -0.01 -0.04 2.99 2.92 3my0G1 LYS 491 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.93 3my0G1 ILE 492 H -0.00 0.39 -0.36 -0.55 8.25 7.73 3my0G1 ILE 492 HA 0.00 0.10 0.75 -0.75 4.18 4.27 3my0G1 ILE 492 HB -0.01 0.10 0.05 -0.04 1.89 1.98 3my0G1 ILE 492 HG12 -0.01 -0.00 0.01 -0.04 1.49 1.45 3my0G1 ILE 492 HG13 -0.01 0.11 0.09 -0.04 1.21 1.37 3my0G1 ILE 492 HG23 -0.00 -0.05 -0.03 -0.04 0.93 0.81 3my0G1 ILE 492 HD13 -0.01 -0.04 0.05 -0.04 0.88 0.84 3my0G1 SER 493 H -0.00 0.24 -0.26 -0.55 8.46 7.90 3my0G1 SER 493 HA 0.02 0.11 0.61 -0.75 4.49 4.47 3my0G1 SER 493 HB2 -0.02 -0.04 0.01 -0.04 3.95 3.87 3my0G1 SER 493 HB3 -0.00 0.12 0.12 -0.04 3.93 4.13