============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 2 1.000 22.280 -70.433 80.303 -99.200 -91.000 PHE 31 1.000 12.245 -74.712 82.147 -99.200 -91.000 PHE 36 1.000 15.688 -76.546 76.436 -99.200 -91.000 PHE 38 1.000 19.078 -85.407 70.995 -99.200 -91.000 PHE 42 1.000 30.246 -88.968 63.972 -99.200 -91.000 HIS 51 0.900 39.624-105.084 74.948 -99.200 -91.000 PHE 53 1.000 28.494 -97.746 71.654 -99.200 -91.000 HIS 56 0.900 25.371 -98.696 67.342 -99.200 -91.000 TYR 60 0.840 22.148 -96.327 63.896 -99.200 -91.000 PHE 72 1.000 11.133 -85.912 69.635 -99.200 -91.000 HIS 81 0.900 35.227 -87.882 66.991 -99.200 -91.000 TRP 84 1.040 37.009 -88.684 57.245 -99.200 -91.000 TRP6 84 1.020 34.910 -89.779 57.352 -99.200 -91.000 PHE 101 1.000 41.934 -86.217 75.210 -99.200 -91.000 PHE 126 1.000 45.637 -79.719 74.828 -99.200 -91.000 TRP 130 1.040 46.697 -67.219 79.108 -99.200 -91.000 TRP6 130 1.020 46.092 -67.246 81.394 -99.200 -91.000 PHE 141 1.000 43.154 -68.401 57.283 -99.200 -91.000 TYR 148 0.840 27.736 -71.170 70.519 -99.200 -91.000 PHE 156 1.000 44.611 -79.562 91.375 -99.200 -91.000 TYR 158 0.840 50.577 -88.078 86.961 -99.200 -91.000 PHE 165 1.000 33.436 -72.567 88.094 -99.200 -91.000 TRP 174 1.040 39.035 -65.477 73.485 -99.200 -91.000 TRP6 174 1.020 40.693 -64.166 74.552 -99.200 -91.000 TYR 179 0.840 30.712 -75.896 84.167 -99.200 -91.000 HIS 183 0.900 32.147 -84.829 78.611 -99.200 -91.000 PHE 201 1.000 32.123 -83.091 94.671 -99.200 -91.000 PHE 203 1.000 21.402 -78.036 91.228 -99.200 -91.000 PHE 218 1.000 28.270 -81.058 76.296 -99.200 -91.000 HIS 222 0.900 21.320 -93.853 79.220 -99.200 -91.000 TYR 258 0.840 24.743 -58.361 91.495 -99.200 -91.000 TYR 259 0.840 25.850 -62.948 84.439 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nxhG1 LYS 3003 HA 0.09 -0.06 0.29 -0.75 4.32 3.88 2nxhG1 LYS 3003 HB2 0.06 -0.05 0.05 -0.04 1.87 1.89 2nxhG1 LYS 3003 HB3 0.05 -0.08 0.05 -0.04 1.79 1.78 2nxhG1 LYS 3003 HG2 0.04 -0.06 -0.29 -0.04 1.46 1.11 2nxhG1 LYS 3003 HG3 0.07 0.44 -0.02 -0.04 1.46 1.92 2nxhG1 LYS 3003 HD2 0.05 -0.09 -0.09 -0.04 1.69 1.52 2nxhG1 LYS 3003 HD3 0.07 0.01 -0.38 -0.04 1.68 1.33 2nxhG1 LYS 3003 HE2 0.07 0.06 -0.11 -0.04 2.99 2.98 2nxhG1 LYS 3003 HE3 0.06 -0.09 -0.01 -0.04 2.99 2.90 2nxhG1 PHE 3004 H 0.20 0.10 0.14 -0.55 8.34 8.24 2nxhG1 PHE 3004 HA 0.01 0.17 0.50 -0.75 4.62 4.55 2nxhG1 PHE 3004 HB2 -0.01 0.02 0.11 -0.04 3.15 3.22 2nxhG1 PHE 3004 HB3 -0.06 -0.07 0.02 -0.04 3.06 2.90 2nxhG1 PHE 3004 HD2 -0.04 0.01 -0.16 -0.04 7.28 7.05 2nxhG1 PHE 3004 HE2 0.00 0.04 -0.09 -0.04 7.38 7.29 2nxhG1 PHE 3004 HZ 0.04 -0.07 -0.23 -0.04 7.32 7.02 2nxhG1 LEU 3005 H -0.82 0.42 0.41 -0.55 8.37 7.84 2nxhG1 LEU 3005 HA -0.21 0.34 0.99 -0.75 4.35 4.72 2nxhG1 LEU 3005 HB2 -0.17 0.15 0.08 -0.04 1.64 1.66 2nxhG1 LEU 3005 HB3 -0.31 -0.17 0.12 -0.04 1.64 1.23 2nxhG1 LEU 3005 HG -0.20 -0.10 -0.25 -0.04 1.64 1.05 2nxhG1 LEU 3005 HD13 -0.09 0.09 -0.12 -0.04 0.93 0.78 2nxhG1 LEU 3005 HD23 -0.32 -0.03 -0.20 -0.04 0.89 0.30 2nxhG1 VAL 3006 H -0.28 0.78 0.24 -0.55 8.24 8.43 2nxhG1 VAL 3006 HA -0.13 0.20 1.01 -0.75 4.13 4.46 2nxhG1 VAL 3006 HB -0.76 0.02 0.03 -0.04 2.12 1.37 2nxhG1 VAL 3006 HG13 -0.01 -0.03 -0.21 -0.04 0.97 0.68 2nxhG1 VAL 3006 HG23 -0.09 -0.01 -0.21 -0.04 0.95 0.60 2nxhG1 ILE 3007 H -0.11 0.49 0.20 -0.55 8.25 8.28 2nxhG1 ILE 3007 HA -0.11 0.32 0.84 -0.75 4.18 4.48 2nxhG1 ILE 3007 HB -0.13 -0.16 0.08 -0.04 1.89 1.64 2nxhG1 ILE 3007 HG12 -0.12 0.08 -0.20 -0.04 1.49 1.21 2nxhG1 ILE 3007 HG13 -0.12 0.00 -0.24 -0.04 1.21 0.81 2nxhG1 ILE 3007 HG23 -0.21 -0.01 -0.25 -0.04 0.93 0.43 2nxhG1 ILE 3007 HD13 -0.05 -0.02 -0.26 -0.04 0.88 0.51 2nxhG1 ALA 3008 H -0.15 0.65 0.37 -0.55 8.40 8.73 2nxhG1 ALA 3008 HA -0.34 0.28 0.80 -0.75 4.34 4.32 2nxhG1 ALA 3008 HB3 -0.06 -0.02 -0.08 -0.04 1.41 1.21 2nxhG1 GLY 3009 H -0.27 0.28 0.36 -0.55 8.43 8.25 2nxhG1 GLY 3009 HA2 -0.43 -0.02 0.39 -0.51 4.01 3.43 2nxhG1 GLY 3009 HA3 -0.70 0.42 0.70 -0.51 4.01 3.92 2nxhG1 PRO 3010 HA -0.02 0.28 0.73 -0.51 4.44 4.93 2nxhG1 PRO 3010 HB2 0.05 -0.03 0.11 -0.04 2.28 2.37 2nxhG1 PRO 3010 HB3 -0.06 0.00 0.19 -0.04 2.02 2.11 2nxhG1 PRO 3010 HG2 0.02 0.02 -0.02 -0.04 2.03 2.01 2nxhG1 PRO 3010 HG3 0.06 -0.06 -0.00 -0.04 2.03 1.99 2nxhG1 PRO 3010 HD2 -0.46 0.30 0.27 -0.04 3.68 3.75 2nxhG1 PRO 3010 HD3 -0.14 0.05 0.19 -0.04 3.65 3.71 2nxhG1 ASN 3011 H 0.04 0.12 0.16 -0.55 8.53 8.30 2nxhG1 ASN 3011 HA 0.04 0.07 0.28 -0.75 4.76 4.39 2nxhG1 ASN 3011 HB2 0.03 0.03 0.07 -0.04 2.88 2.97 2nxhG1 ASN 3011 HB3 0.07 -0.03 0.07 -0.04 2.79 2.86 2nxhG1 ASN 3011 HD21 0.26 -0.03 -0.11 -0.04 7.03 7.10 2nxhG1 ASN 3011 HD22 0.11 0.01 -0.08 -0.04 7.74 7.73 2nxhG1 ALA 3012 H 0.11 0.06 -0.08 -0.55 8.40 7.94 2nxhG1 ALA 3012 HA 0.11 0.20 0.98 -0.75 4.34 4.88 2nxhG1 ALA 3012 HB3 0.24 0.00 -0.17 -0.04 1.41 1.44 2nxhG1 ILE 3013 H 0.20 0.58 0.06 -0.55 8.25 8.54 2nxhG1 ILE 3013 HA 0.22 0.09 0.48 -0.75 4.18 4.22 2nxhG1 ILE 3013 HB 0.32 -0.01 0.14 -0.04 1.89 2.29 2nxhG1 ILE 3013 HG12 0.23 0.05 -0.20 -0.04 1.49 1.53 2nxhG1 ILE 3013 HG13 0.21 0.04 -0.45 -0.04 1.21 0.96 2nxhG1 ILE 3013 HG23 0.38 -0.00 -0.15 -0.04 0.93 1.11 2nxhG1 ILE 3013 HD13 0.27 0.02 -0.14 -0.04 0.88 0.98 2nxhG1 GLU 3014 H 0.18 0.43 0.09 -0.55 8.60 8.75 2nxhG1 GLU 3014 HA 0.12 0.07 0.35 -0.75 4.29 4.08 2nxhG1 GLU 3014 HB2 0.08 -0.04 0.07 -0.04 2.09 2.16 2nxhG1 GLU 3014 HB3 -0.06 0.05 0.07 -0.04 1.99 2.00 2nxhG1 GLU 3014 HG2 -0.14 -0.02 -0.04 -0.04 2.34 2.09 2nxhG1 GLU 3014 HG3 0.10 0.23 0.04 -0.04 2.34 2.67 2nxhG1 SER 3015 H 0.23 0.18 -0.12 -0.55 8.46 8.20 2nxhG1 SER 3015 HA 0.30 0.18 0.33 -0.75 4.49 4.54 2nxhG1 SER 3015 HB2 0.11 0.02 0.17 -0.04 3.95 4.20 2nxhG1 SER 3015 HB3 0.11 0.33 -0.10 -0.04 3.93 4.22 2nxhG1 GLU 3016 H 0.28 0.26 0.13 -0.55 8.60 8.73 2nxhG1 GLU 3016 HA 0.08 0.11 0.43 -0.75 4.29 4.15 2nxhG1 GLU 3016 HB2 -0.05 0.05 0.14 -0.04 2.09 2.18 2nxhG1 GLU 3016 HB3 0.05 0.01 0.10 -0.04 1.99 2.11 2nxhG1 GLU 3016 HG2 -0.01 0.01 -0.06 -0.04 2.34 2.23 2nxhG1 GLU 3016 HG3 -0.05 0.02 0.12 -0.04 2.34 2.39 2nxhG1 GLU 3017 H 0.09 0.06 -0.24 -0.55 8.60 7.96 2nxhG1 GLU 3017 HA 0.04 0.16 0.39 -0.75 4.29 4.13 2nxhG1 GLU 3017 HB2 0.04 0.07 0.05 -0.04 2.09 2.20 2nxhG1 GLU 3017 HB3 0.05 -0.05 0.04 -0.04 1.99 1.98 2nxhG1 GLU 3017 HG2 0.03 -0.02 -0.39 -0.04 2.34 1.92 2nxhG1 GLU 3017 HG3 0.03 0.04 -0.02 -0.04 2.34 2.34 2nxhG1 LEU 3018 H 0.07 0.08 -0.20 -0.55 8.37 7.77 2nxhG1 LEU 3018 HA -0.01 0.06 0.41 -0.75 4.35 4.06 2nxhG1 LEU 3018 HB2 0.01 0.01 0.09 -0.04 1.64 1.71 2nxhG1 LEU 3018 HB3 0.08 0.03 0.17 -0.04 1.64 1.87 2nxhG1 LEU 3018 HG -0.03 0.06 -0.14 -0.04 1.64 1.49 2nxhG1 LEU 3018 HD13 -0.40 -0.00 0.09 -0.04 0.93 0.57 2nxhG1 LEU 3018 HD23 0.03 -0.02 0.10 -0.04 0.89 0.96 2nxhG1 LEU 3019 H 0.12 0.35 -0.22 -0.55 8.37 8.07 2nxhG1 LEU 3019 HA 0.31 0.03 0.37 -0.75 4.35 4.32 2nxhG1 LEU 3019 HB2 0.11 0.07 0.14 -0.04 1.64 1.92 2nxhG1 LEU 3019 HB3 0.06 0.08 -0.08 -0.04 1.64 1.66 2nxhG1 LEU 3019 HG 0.50 0.06 -0.05 -0.04 1.64 2.11 2nxhG1 LEU 3019 HD13 0.21 0.00 -0.05 -0.04 0.93 1.06 2nxhG1 LEU 3019 HD23 0.16 0.01 -0.21 -0.04 0.89 0.81 2nxhG1 LEU 3020 H 0.08 0.46 -0.10 -0.55 8.37 8.25 2nxhG1 LEU 3020 HA 0.26 0.06 0.41 -0.75 4.35 4.33 2nxhG1 LEU 3020 HB2 0.07 0.04 0.11 -0.04 1.64 1.82 2nxhG1 LEU 3020 HB3 0.15 0.01 0.03 -0.04 1.64 1.79 2nxhG1 LEU 3020 HG 0.03 0.24 0.11 -0.04 1.64 1.98 2nxhG1 LEU 3020 HD13 -0.01 -0.02 -0.04 -0.04 0.93 0.81 2nxhG1 LEU 3020 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.73 2nxhG1 LYS 3021 H 0.05 0.45 -0.24 -0.55 8.42 8.12 2nxhG1 LYS 3021 HA 0.02 0.07 0.47 -0.75 4.32 4.13 2nxhG1 LYS 3021 HB2 0.01 0.05 0.12 -0.04 1.87 2.00 2nxhG1 LYS 3021 HB3 -0.01 0.05 0.18 -0.04 1.79 1.97 2nxhG1 LYS 3021 HG2 -0.03 -0.04 -0.11 -0.04 1.46 1.24 2nxhG1 LYS 3021 HG3 -0.00 0.02 0.05 -0.04 1.46 1.49 2nxhG1 LYS 3021 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.65 2nxhG1 LYS 3021 HD3 -0.04 -0.06 0.01 -0.04 1.68 1.55 2nxhG1 LYS 3021 HE2 -0.02 -0.04 -0.01 -0.04 2.99 2.89 2nxhG1 LYS 3021 HE3 -0.01 0.04 -0.00 -0.04 2.99 2.98 2nxhG1 VAL 3022 H 0.05 0.57 0.02 -0.55 8.24 8.32 2nxhG1 VAL 3022 HA -0.02 -0.01 0.49 -0.75 4.13 3.84 2nxhG1 VAL 3022 HB 0.20 0.12 0.16 -0.04 2.12 2.56 2nxhG1 VAL 3022 HG13 -0.01 -0.02 -0.09 -0.04 0.97 0.80 2nxhG1 VAL 3022 HG23 -0.06 0.00 0.02 -0.04 0.95 0.87 2nxhG1 GLY 3023 H 0.06 0.72 -0.08 -0.55 8.43 8.59 2nxhG1 GLY 3023 HA2 -0.08 0.01 0.37 -0.51 4.01 3.79 2nxhG1 GLY 3023 HA3 -0.39 0.09 0.29 -0.51 4.01 3.49 2nxhG1 GLU 3024 H -0.33 0.42 -0.38 -0.55 8.60 7.76 2nxhG1 GLU 3024 HA -0.88 0.07 0.40 -0.75 4.29 3.14 2nxhG1 GLU 3024 HB2 -0.00 0.14 0.18 -0.04 2.09 2.36 2nxhG1 GLU 3024 HB3 -0.10 0.08 0.15 -0.04 1.99 2.08 2nxhG1 GLU 3024 HG2 0.01 -0.05 -0.00 -0.04 2.34 2.26 2nxhG1 GLU 3024 HG3 -0.06 -0.04 -0.10 -0.04 2.34 2.11 2nxhG1 GLU 3025 H -0.16 0.33 -0.20 -0.55 8.60 8.02 2nxhG1 GLU 3025 HA -0.11 0.03 0.46 -0.75 4.29 3.91 2nxhG1 GLU 3025 HB2 -0.06 -0.01 0.11 -0.04 2.09 2.09 2nxhG1 GLU 3025 HB3 -0.07 0.12 0.18 -0.04 1.99 2.18 2nxhG1 GLU 3025 HG2 -0.04 -0.02 -0.03 -0.04 2.34 2.22 2nxhG1 GLU 3025 HG3 -0.05 -0.00 -0.22 -0.04 2.34 2.03 2nxhG1 ILE 3026 H -0.13 0.65 -0.02 -0.55 8.25 8.20 2nxhG1 ILE 3026 HA -0.18 -0.03 0.34 -0.75 4.18 3.55 2nxhG1 ILE 3026 HB 0.00 0.08 0.07 -0.04 1.89 1.99 2nxhG1 ILE 3026 HG12 0.01 -0.06 -0.06 -0.04 1.49 1.33 2nxhG1 ILE 3026 HG13 -0.00 0.09 0.00 -0.04 1.21 1.26 2nxhG1 ILE 3026 HG23 0.00 0.01 -0.14 -0.04 0.93 0.75 2nxhG1 ILE 3026 HD13 0.07 -0.04 -0.17 -0.04 0.88 0.70 2nxhG1 LYS 3027 H -0.34 0.53 -0.39 -0.55 8.42 7.66 2nxhG1 LYS 3027 HA -0.17 0.06 0.40 -0.75 4.32 3.87 2nxhG1 LYS 3027 HB2 -0.34 0.03 0.13 -0.04 1.87 1.65 2nxhG1 LYS 3027 HB3 -0.33 0.11 0.18 -0.04 1.79 1.72 2nxhG1 LYS 3027 HG2 0.17 -0.03 0.03 -0.04 1.46 1.59 2nxhG1 LYS 3027 HG3 -0.02 -0.07 -0.19 -0.04 1.46 1.15 2nxhG1 LYS 3027 HD2 -0.02 -0.09 0.10 -0.04 1.69 1.63 2nxhG1 LYS 3027 HD3 0.08 0.25 0.11 -0.04 1.68 2.08 2nxhG1 LYS 3027 HE2 0.10 -0.03 0.01 -0.04 2.99 3.02 2nxhG1 LYS 3027 HE3 0.03 -0.10 -0.01 -0.04 2.99 2.87 2nxhG1 ARG 3028 H -0.18 0.40 -0.18 -0.55 8.46 7.94 2nxhG1 ARG 3028 HA -0.09 0.04 0.44 -0.75 4.34 3.97 2nxhG1 ARG 3028 HB2 -0.09 0.05 0.16 -0.04 1.90 1.99 2nxhG1 ARG 3028 HB3 -0.10 0.09 0.19 -0.04 1.80 1.95 2nxhG1 ARG 3028 HG2 -0.08 -0.04 -0.13 -0.04 1.67 1.38 2nxhG1 ARG 3028 HG3 -0.06 -0.00 0.06 -0.04 1.67 1.62 2nxhG1 ARG 3028 HD2 -0.04 -0.02 -0.01 -0.04 3.22 3.10 2nxhG1 ARG 3028 HD3 -0.05 0.00 0.01 -0.04 3.22 3.14 2nxhG1 LEU 3029 H -0.21 0.54 -0.12 -0.55 8.37 8.03 2nxhG1 LEU 3029 HA -0.02 -0.03 0.41 -0.75 4.35 3.96 2nxhG1 LEU 3029 HB2 -0.51 0.15 0.08 -0.04 1.64 1.32 2nxhG1 LEU 3029 HB3 0.05 -0.03 -0.03 -0.04 1.64 1.59 2nxhG1 LEU 3029 HG -0.06 0.17 0.00 -0.04 1.64 1.71 2nxhG1 LEU 3029 HD13 0.05 -0.03 -0.15 -0.04 0.93 0.76 2nxhG1 LEU 3029 HD23 0.18 -0.03 -0.06 -0.04 0.89 0.95 2nxhG1 SER 3030 H -0.50 0.51 -0.24 -0.55 8.46 7.68 2nxhG1 SER 3030 HA -0.16 0.11 0.41 -0.75 4.49 4.10 2nxhG1 SER 3030 HB2 0.04 0.00 0.09 -0.04 3.95 4.05 2nxhG1 SER 3030 HB3 -0.40 -0.06 0.10 -0.04 3.93 3.52 2nxhG1 GLU 3031 H -0.12 0.28 -0.50 -0.55 8.60 7.72 2nxhG1 GLU 3031 HA -0.01 0.11 0.61 -0.75 4.29 4.25 2nxhG1 GLU 3031 HB2 -0.07 0.12 0.18 -0.04 2.09 2.29 2nxhG1 GLU 3031 HB3 -0.04 -0.10 0.03 -0.04 1.99 1.84 2nxhG1 GLU 3031 HG2 -0.04 0.28 0.05 -0.04 2.34 2.58 2nxhG1 GLU 3031 HG3 -0.02 -0.10 0.01 -0.04 2.34 2.19 2nxhG1 LYS 3032 H -0.11 0.39 -0.01 -0.55 8.42 8.13 2nxhG1 LYS 3032 HA -0.18 0.06 0.56 -0.75 4.32 4.00 2nxhG1 LYS 3032 HB2 -0.22 0.00 0.09 -0.04 1.87 1.70 2nxhG1 LYS 3032 HB3 -0.43 0.01 0.08 -0.04 1.79 1.41 2nxhG1 LYS 3032 HG2 -0.87 -0.00 -0.03 -0.04 1.46 0.52 2nxhG1 LYS 3032 HG3 -0.30 -0.02 0.08 -0.04 1.46 1.18 2nxhG1 LYS 3032 HD2 -0.19 -0.02 -0.02 -0.04 1.69 1.42 2nxhG1 LYS 3032 HD3 -0.40 -0.03 -0.04 -0.04 1.68 1.17 2nxhG1 LYS 3032 HE2 -0.27 0.01 -0.01 -0.04 2.99 2.67 2nxhG1 LYS 3032 HE3 -0.16 0.00 0.00 -0.04 2.99 2.79 2nxhG1 PHE 3033 H 0.11 0.49 -0.36 -0.55 8.34 8.03 2nxhG1 PHE 3033 HA 0.09 0.10 0.86 -0.75 4.62 4.91 2nxhG1 PHE 3033 HB2 0.40 0.18 0.16 -0.04 3.15 3.85 2nxhG1 PHE 3033 HB3 0.18 -0.10 0.10 -0.04 3.06 3.19 2nxhG1 PHE 3033 HD2 0.13 0.05 -0.00 -0.04 7.28 7.42 2nxhG1 PHE 3033 HE2 0.05 -0.06 -0.04 -0.04 7.38 7.29 2nxhG1 PHE 3033 HZ 0.03 -0.03 -0.04 -0.04 7.32 7.25 2nxhG1 LYS 3034 H 0.11 0.20 -0.16 -0.55 8.42 8.02 2nxhG1 LYS 3034 HA 0.16 0.31 0.46 -0.75 4.32 4.49 2nxhG1 LYS 3034 HB2 0.07 -0.07 0.06 -0.04 1.87 1.89 2nxhG1 LYS 3034 HB3 0.07 -0.02 0.10 -0.04 1.79 1.90 2nxhG1 LYS 3034 HG2 0.06 0.08 0.10 -0.04 1.46 1.67 2nxhG1 LYS 3034 HG3 0.04 0.16 0.01 -0.04 1.46 1.63 2nxhG1 LYS 3034 HD2 0.02 -0.05 0.04 -0.04 1.69 1.66 2nxhG1 LYS 3034 HD3 0.04 -0.05 0.04 -0.04 1.68 1.67 2nxhG1 LYS 3034 HE2 0.01 -0.09 0.04 -0.04 2.99 2.91 2nxhG1 LYS 3034 HE3 0.02 0.00 0.06 -0.04 2.99 3.03 2nxhG1 GLU 3035 H 0.18 -0.02 -0.43 -0.55 8.60 7.79 2nxhG1 GLU 3035 HA 0.09 0.16 0.61 -0.75 4.29 4.40 2nxhG1 GLU 3035 HB2 0.07 0.01 0.11 -0.04 2.09 2.24 2nxhG1 GLU 3035 HB3 0.09 -0.04 0.03 -0.04 1.99 2.03 2nxhG1 GLU 3035 HG2 0.11 0.07 -0.28 -0.04 2.34 2.19 2nxhG1 GLU 3035 HG3 0.08 -0.01 -0.04 -0.04 2.34 2.32 2nxhG1 VAL 3036 H 0.21 0.39 -0.29 -0.55 8.24 8.00 2nxhG1 VAL 3036 HA 0.04 0.18 0.80 -0.75 4.13 4.39 2nxhG1 VAL 3036 HB 0.10 0.14 0.05 -0.04 2.12 2.37 2nxhG1 VAL 3036 HG13 -0.64 -0.02 -0.31 -0.04 0.97 -0.04 2nxhG1 VAL 3036 HG23 -0.03 -0.06 -0.11 -0.04 0.95 0.71 2nxhG1 GLU 3037 H -0.07 0.92 0.25 -0.55 8.60 9.15 2nxhG1 GLU 3037 HA 0.08 0.16 0.83 -0.75 4.29 4.60 2nxhG1 GLU 3037 HB2 0.03 0.06 -0.06 -0.04 2.09 2.07 2nxhG1 GLU 3037 HB3 -0.04 -0.02 0.05 -0.04 1.99 1.94 2nxhG1 GLU 3037 HG2 0.02 -0.04 -0.33 -0.04 2.34 1.95 2nxhG1 GLU 3037 HG3 0.06 0.03 -0.02 -0.04 2.34 2.37 2nxhG1 PHE 3038 H 0.30 0.24 0.14 -0.55 8.34 8.47 2nxhG1 PHE 3038 HA 0.01 0.24 0.90 -0.75 4.62 5.01 2nxhG1 PHE 3038 HB2 0.05 0.03 0.11 -0.04 3.15 3.29 2nxhG1 PHE 3038 HB3 0.04 -0.05 -0.04 -0.04 3.06 2.97 2nxhG1 PHE 3038 HD2 0.04 0.08 -0.04 -0.04 7.28 7.32 2nxhG1 PHE 3038 HE2 0.10 0.08 -0.09 -0.04 7.38 7.43 2nxhG1 PHE 3038 HZ 0.14 -0.05 -0.17 -0.04 7.32 7.21 2nxhG1 VAL 3039 H 0.07 0.57 0.30 -0.55 8.24 8.63 2nxhG1 VAL 3039 HA 0.10 0.18 0.78 -0.75 4.13 4.43 2nxhG1 VAL 3039 HB -0.05 -0.12 -0.06 -0.04 2.12 1.85 2nxhG1 VAL 3039 HG13 0.01 -0.01 -0.43 -0.04 0.97 0.50 2nxhG1 VAL 3039 HG23 -0.03 0.02 -0.36 -0.04 0.95 0.54 2nxhG1 PHE 3040 H 0.22 0.82 0.24 -0.55 8.34 9.06 2nxhG1 PHE 3040 HA -0.01 0.24 0.74 -0.75 4.62 4.83 2nxhG1 PHE 3040 HB2 0.02 -0.00 0.06 -0.04 3.15 3.19 2nxhG1 PHE 3040 HB3 0.03 0.03 0.14 -0.04 3.06 3.22 2nxhG1 PHE 3040 HD2 -0.01 -0.02 -0.16 -0.04 7.28 7.05 2nxhG1 PHE 3040 HE2 -0.01 -0.11 -0.17 -0.04 7.38 7.05 2nxhG1 PHE 3040 HZ 0.01 -0.14 0.07 -0.04 7.32 7.22 2nxhG1 LYS 3041 H -0.55 0.54 0.17 -0.55 8.42 8.02 2nxhG1 LYS 3041 HA -0.05 0.43 1.07 -0.75 4.32 5.00 2nxhG1 LYS 3041 HB2 -0.20 0.00 -0.25 -0.04 1.87 1.38 2nxhG1 LYS 3041 HB3 -0.39 -0.07 -0.28 -0.04 1.79 1.00 2nxhG1 LYS 3041 HG2 -0.00 0.04 -0.12 -0.04 1.46 1.34 2nxhG1 LYS 3041 HG3 0.02 -0.07 -0.25 -0.04 1.46 1.12 2nxhG1 LYS 3041 HD2 -0.23 -0.06 -0.37 -0.04 1.69 0.99 2nxhG1 LYS 3041 HD3 -0.08 0.14 -0.70 -0.04 1.68 1.00 2nxhG1 LYS 3041 HE2 0.10 -0.06 -0.19 -0.04 2.99 2.80 2nxhG1 LYS 3041 HE3 0.46 -0.04 -0.20 -0.04 2.99 3.16 2nxhG1 SER 3042 H 0.01 0.39 0.18 -0.55 8.46 8.49 2nxhG1 SER 3042 HA -0.02 0.28 0.27 -0.75 4.49 4.26 2nxhG1 SER 3042 HB2 -0.02 0.16 -0.24 -0.04 3.95 3.81 2nxhG1 SER 3042 HB3 0.18 -0.09 -0.19 -0.04 3.93 3.79 2nxhG1 SER 3043 H 0.06 0.62 0.24 -0.55 8.46 8.83 2nxhG1 SER 3043 HA -0.02 0.06 0.81 -0.75 4.49 4.58 2nxhG1 SER 3043 HB2 0.00 -0.02 0.08 -0.04 3.95 3.98 2nxhG1 SER 3043 HB3 -0.10 0.05 0.05 -0.04 3.93 3.90 2nxhG1 PHE 3044 H -0.17 0.25 0.21 -0.55 8.34 8.08 2nxhG1 PHE 3044 HA 0.13 0.07 0.54 -0.75 4.62 4.60 2nxhG1 PHE 3044 HB2 0.12 0.03 0.07 -0.04 3.15 3.33 2nxhG1 PHE 3044 HB3 0.10 0.06 0.07 -0.04 3.06 3.25 2nxhG1 PHE 3044 HD2 0.06 -0.03 -0.21 -0.04 7.28 7.05 2nxhG1 PHE 3044 HE2 -0.01 0.03 -0.05 -0.04 7.38 7.32 2nxhG1 PHE 3044 HZ -0.11 -0.11 0.07 -0.04 7.32 7.13 2nxhG1 ASP 3045 H -0.40 0.09 -0.31 -0.55 8.40 7.24 2nxhG1 ASP 3045 HA -0.16 0.31 0.44 -0.75 4.63 4.47 2nxhG1 ASP 3045 HB2 0.10 0.02 -0.32 -0.04 2.71 2.47 2nxhG1 ASP 3045 HB3 -0.36 -0.05 -0.11 -0.04 2.70 2.15 2nxhG1 LYS 3046 H -0.22 0.61 0.14 -0.55 8.42 8.39 2nxhG1 LYS 3046 HA -0.14 0.07 0.75 -0.75 4.32 4.25 2nxhG1 LYS 3046 HB2 -0.11 0.16 0.36 -0.04 1.87 2.24 2nxhG1 LYS 3046 HB3 -0.04 -0.09 0.09 -0.04 1.79 1.71 2nxhG1 LYS 3046 HG2 -0.06 0.17 -0.07 -0.04 1.46 1.46 2nxhG1 LYS 3046 HG3 0.06 -0.01 -0.07 -0.04 1.46 1.40 2nxhG1 LYS 3046 HD2 -0.04 -0.01 -0.42 -0.04 1.69 1.17 2nxhG1 LYS 3046 HD3 0.05 -0.02 -0.24 -0.04 1.68 1.43 2nxhG1 LYS 3046 HE2 0.05 -0.04 -0.10 -0.04 2.99 2.85 2nxhG1 LYS 3046 HE3 -0.02 -0.04 -0.01 -0.04 2.99 2.88 2nxhG1 ALA 3047 H -0.51 0.26 -0.13 -0.55 8.40 7.48 2nxhG1 ALA 3047 HA -0.20 0.17 0.46 -0.75 4.34 4.02 2nxhG1 ALA 3047 HB3 -0.51 0.01 -0.01 -0.04 1.41 0.85 2nxhG1 ASN 3048 H -0.08 -0.01 -0.40 -0.55 8.53 7.50 2nxhG1 ASN 3048 HA 0.03 0.32 0.86 -0.75 4.76 5.22 2nxhG1 ASN 3048 HB2 0.30 0.04 0.10 -0.04 2.88 3.28 2nxhG1 ASN 3048 HB3 0.13 -0.02 -0.13 -0.04 2.79 2.73 2nxhG1 ASN 3048 HD21 -0.19 -0.02 -0.06 -0.04 7.03 6.72 2nxhG1 ASN 3048 HD22 -0.21 -0.02 -0.03 -0.04 7.74 7.44 2nxhG1 ARG 3049 H -0.03 0.21 -0.21 -0.55 8.46 7.88 2nxhG1 ARG 3049 HA 0.03 -0.06 0.37 -0.75 4.34 3.92 2nxhG1 ARG 3049 HB2 -0.01 0.15 -0.07 -0.04 1.90 1.92 2nxhG1 ARG 3049 HB3 0.01 -0.12 0.10 -0.04 1.80 1.76 2nxhG1 ARG 3049 HG2 -0.05 0.14 0.05 -0.04 1.67 1.78 2nxhG1 ARG 3049 HG3 -0.01 0.19 -0.10 -0.04 1.67 1.71 2nxhG1 ARG 3049 HD2 0.01 -0.15 -0.02 -0.04 3.22 3.01 2nxhG1 ARG 3049 HD3 0.01 0.08 0.08 -0.04 3.22 3.36 2nxhG1 SER 3050 H 0.03 0.02 0.20 -0.55 8.46 8.17 2nxhG1 SER 3050 HA 0.01 0.13 0.50 -0.75 4.49 4.38 2nxhG1 SER 3050 HB2 0.02 0.18 0.06 -0.04 3.95 4.17 2nxhG1 SER 3050 HB3 0.01 0.04 0.03 -0.04 3.93 3.98 2nxhG1 SER 3051 H 0.00 0.05 0.06 -0.55 8.46 8.03 2nxhG1 SER 3051 HA -0.08 0.24 0.97 -0.75 4.49 4.87 2nxhG1 SER 3051 HB2 -0.01 0.08 0.12 -0.04 3.95 4.10 2nxhG1 SER 3051 HB3 0.01 0.02 0.18 -0.04 3.93 4.10 2nxhG1 ILE 3052 H -0.21 0.19 0.16 -0.55 8.25 7.84 2nxhG1 ILE 3052 HA -0.07 0.13 0.33 -0.75 4.18 3.81 2nxhG1 ILE 3052 HB -0.13 0.03 0.11 -0.04 1.89 1.87 2nxhG1 ILE 3052 HG12 -0.04 -0.01 0.01 -0.04 1.49 1.40 2nxhG1 ILE 3052 HG13 -0.03 0.03 0.02 -0.04 1.21 1.20 2nxhG1 ILE 3052 HG23 -0.47 -0.00 -0.05 -0.04 0.93 0.36 2nxhG1 ILE 3052 HD13 -0.03 0.01 0.04 -0.04 0.88 0.86 2nxhG1 HIS 3053 H -0.21 -0.08 -0.41 -0.55 8.41 7.17 2nxhG1 HIS 3053 HA 0.01 0.18 0.60 -0.75 4.63 4.66 2nxhG1 HIS 3053 HB2 0.02 -0.04 -0.01 -0.04 3.26 3.19 2nxhG1 HIS 3053 HB3 0.02 0.03 0.03 -0.04 3.20 3.23 2nxhG1 HIS 3053 HD2 0.01 0.00 0.01 -0.04 6.97 6.94 2nxhG1 HIS 3053 HE1 0.00 0.03 -0.03 -0.04 7.75 7.71 2nxhG1 SER 3054 H 0.05 0.15 -0.21 -0.55 8.46 7.91 2nxhG1 SER 3054 HA 0.10 0.04 0.42 -0.75 4.49 4.30 2nxhG1 SER 3054 HB2 0.04 0.08 0.08 -0.04 3.95 4.10 2nxhG1 SER 3054 HB3 0.08 0.01 0.16 -0.04 3.93 4.14 2nxhG1 PHE 3055 H 0.21 0.11 0.21 -0.55 8.34 8.31 2nxhG1 PHE 3055 HA -0.01 0.04 0.47 -0.75 4.62 4.36 2nxhG1 PHE 3055 HB2 -0.01 0.03 0.17 -0.04 3.15 3.30 2nxhG1 PHE 3055 HB3 -0.01 0.16 0.16 -0.04 3.06 3.33 2nxhG1 PHE 3055 HD2 -0.04 0.03 -0.14 -0.04 7.28 7.09 2nxhG1 PHE 3055 HE2 -0.19 -0.01 -0.22 -0.04 7.38 6.92 2nxhG1 PHE 3055 HZ -0.48 0.11 -0.15 -0.04 7.32 6.76 2nxhG1 ARG 3056 H -0.63 0.05 0.23 -0.55 8.46 7.56 2nxhG1 ARG 3056 HA -0.28 0.21 1.02 -0.75 4.34 4.53 2nxhG1 ARG 3056 HB2 -0.24 0.01 0.17 -0.04 1.90 1.79 2nxhG1 ARG 3056 HB3 -0.21 -0.13 -0.03 -0.04 1.80 1.38 2nxhG1 ARG 3056 HG2 -0.12 0.19 0.03 -0.04 1.67 1.73 2nxhG1 ARG 3056 HG3 -0.11 0.19 -0.14 -0.04 1.67 1.58 2nxhG1 ARG 3056 HD2 -0.06 0.04 -0.04 -0.04 3.22 3.12 2nxhG1 ARG 3056 HD3 -0.07 -0.00 -0.01 -0.04 3.22 3.10 2nxhG1 GLY 3057 H -0.84 0.22 0.25 -0.55 8.43 7.52 2nxhG1 GLY 3057 HA2 -0.90 0.08 0.25 -0.51 4.01 2.92 2nxhG1 GLY 3057 HA3 -0.32 0.24 0.61 -0.51 4.01 4.03 2nxhG1 HIS 3058 H -0.01 0.26 0.17 -0.55 8.41 8.28 2nxhG1 HIS 3058 HA -0.04 0.21 0.87 -0.75 4.63 4.92 2nxhG1 HIS 3058 HB2 -0.14 0.02 0.10 -0.04 3.26 3.19 2nxhG1 HIS 3058 HB3 -0.44 -0.02 0.21 -0.04 3.20 2.92 2nxhG1 HIS 3058 HD2 0.10 0.08 -0.08 -0.04 6.97 7.03 2nxhG1 HIS 3058 HE1 0.16 -0.01 0.01 -0.04 7.75 7.88 2nxhG1 GLY 3059 H 0.11 0.13 -0.23 -0.55 8.43 7.88 2nxhG1 GLY 3059 HA2 0.17 0.03 0.34 -0.51 4.01 4.04 2nxhG1 GLY 3059 HA3 0.15 0.17 0.70 -0.51 4.01 4.52 2nxhG1 LEU 3060 H 0.14 0.18 0.13 -0.55 8.37 8.27 2nxhG1 LEU 3060 HA -0.49 0.08 0.44 -0.75 4.35 3.63 2nxhG1 LEU 3060 HB2 -0.23 0.00 0.11 -0.04 1.64 1.48 2nxhG1 LEU 3060 HB3 0.00 0.00 0.13 -0.04 1.64 1.74 2nxhG1 LEU 3060 HG -0.25 0.06 -0.14 -0.04 1.64 1.27 2nxhG1 LEU 3060 HD13 -1.54 -0.01 0.02 -0.04 0.93 -0.64 2nxhG1 LEU 3060 HD23 -0.44 0.02 0.02 -0.04 0.89 0.46 2nxhG1 GLU 3061 H 0.06 0.11 -0.02 -0.55 8.60 8.20 2nxhG1 GLU 3061 HA 0.00 0.13 0.37 -0.75 4.29 4.04 2nxhG1 GLU 3061 HB2 0.06 0.02 0.11 -0.04 2.09 2.24 2nxhG1 GLU 3061 HB3 0.09 -0.01 0.07 -0.04 1.99 2.10 2nxhG1 GLU 3061 HG2 0.04 0.01 -0.18 -0.04 2.34 2.17 2nxhG1 GLU 3061 HG3 0.03 0.04 0.03 -0.04 2.34 2.40 2nxhG1 TYR 3062 H 0.22 0.14 -0.25 -0.55 8.29 7.85 2nxhG1 TYR 3062 HA 0.05 0.07 0.40 -0.75 4.56 4.32 2nxhG1 TYR 3062 HB2 0.08 0.03 0.10 -0.04 3.06 3.23 2nxhG1 TYR 3062 HB3 0.14 0.16 -0.04 -0.04 2.98 3.20 2nxhG1 TYR 3062 HD2 0.12 0.03 -0.15 -0.04 7.15 7.10 2nxhG1 TYR 3062 HE2 0.08 -0.01 -0.07 -0.04 6.85 6.81 2nxhG1 GLY 3063 H 0.22 0.37 -0.30 -0.55 8.43 8.18 2nxhG1 GLY 3063 HA2 0.23 -0.01 0.40 -0.51 4.01 4.12 2nxhG1 GLY 3063 HA3 0.26 0.04 0.31 -0.51 4.01 4.11 2nxhG1 VAL 3064 H -0.03 0.67 -0.04 -0.55 8.24 8.29 2nxhG1 VAL 3064 HA 0.00 0.03 0.38 -0.75 4.13 3.79 2nxhG1 VAL 3064 HB -0.05 0.07 0.12 -0.04 2.12 2.22 2nxhG1 VAL 3064 HG13 -0.03 0.02 -0.14 -0.04 0.97 0.78 2nxhG1 VAL 3064 HG23 -0.14 0.02 -0.03 -0.04 0.95 0.76 2nxhG1 LYS 3065 H -0.05 0.42 -0.26 -0.55 8.42 7.97 2nxhG1 LYS 3065 HA -0.06 0.08 0.43 -0.75 4.32 4.02 2nxhG1 LYS 3065 HB2 -0.06 0.04 0.10 -0.04 1.87 1.91 2nxhG1 LYS 3065 HB3 -0.17 0.06 0.15 -0.04 1.79 1.79 2nxhG1 LYS 3065 HG2 -0.14 -0.03 -0.22 -0.04 1.46 1.03 2nxhG1 LYS 3065 HG3 -0.07 0.01 0.02 -0.04 1.46 1.39 2nxhG1 LYS 3065 HD2 -0.04 0.01 -0.01 -0.04 1.69 1.60 2nxhG1 LYS 3065 HD3 -0.11 -0.03 -0.01 -0.04 1.68 1.49 2nxhG1 LYS 3065 HE2 -0.05 0.03 -0.02 -0.04 2.99 2.91 2nxhG1 LYS 3065 HE3 -0.03 -0.01 -0.02 -0.04 2.99 2.89 2nxhG1 ALA 3066 H -0.16 0.50 -0.16 -0.55 8.40 8.02 2nxhG1 ALA 3066 HA -0.13 0.01 0.45 -0.75 4.34 3.91 2nxhG1 ALA 3066 HB3 -0.11 -0.00 0.08 -0.04 1.41 1.34 2nxhG1 LEU 3067 H 0.02 0.66 -0.11 -0.55 8.37 8.40 2nxhG1 LEU 3067 HA 0.03 -0.01 0.39 -0.75 4.35 4.00 2nxhG1 LEU 3067 HB2 0.05 0.10 0.08 -0.04 1.64 1.82 2nxhG1 LEU 3067 HB3 0.08 0.01 -0.07 -0.04 1.64 1.63 2nxhG1 LEU 3067 HG 0.15 0.09 -0.01 -0.04 1.64 1.83 2nxhG1 LEU 3067 HD13 0.16 -0.01 -0.14 -0.04 0.93 0.90 2nxhG1 LEU 3067 HD23 0.27 -0.01 -0.11 -0.04 0.89 0.99 2nxhG1 ARG 3068 H -0.02 0.53 -0.23 -0.55 8.46 8.18 2nxhG1 ARG 3068 HA -0.02 0.09 0.43 -0.75 4.34 4.07 2nxhG1 ARG 3068 HB2 -0.02 0.06 0.10 -0.04 1.90 1.99 2nxhG1 ARG 3068 HB3 -0.04 0.07 0.14 -0.04 1.80 1.93 2nxhG1 ARG 3068 HG2 -0.04 -0.05 -0.20 -0.04 1.67 1.34 2nxhG1 ARG 3068 HG3 -0.03 0.02 0.07 -0.04 1.67 1.69 2nxhG1 ARG 3068 HD2 -0.03 -0.05 -0.02 -0.04 3.22 3.08 2nxhG1 ARG 3068 HD3 -0.03 -0.02 -0.02 -0.04 3.22 3.12 2nxhG1 LYS 3069 H -0.07 0.37 -0.35 -0.55 8.42 7.82 2nxhG1 LYS 3069 HA -0.09 0.03 0.42 -0.75 4.32 3.93 2nxhG1 LYS 3069 HB2 -0.08 0.05 0.15 -0.04 1.87 1.94 2nxhG1 LYS 3069 HB3 -0.08 0.21 0.20 -0.04 1.79 2.08 2nxhG1 LYS 3069 HG2 -0.07 -0.08 -0.01 -0.04 1.46 1.26 2nxhG1 LYS 3069 HG3 -0.12 -0.01 -0.15 -0.04 1.46 1.13 2nxhG1 LYS 3069 HD2 -0.10 0.02 0.05 -0.04 1.69 1.63 2nxhG1 LYS 3069 HD3 -0.08 -0.01 0.02 -0.04 1.68 1.57 2nxhG1 LYS 3069 HE2 -0.07 -0.06 -0.02 -0.04 2.99 2.81 2nxhG1 LYS 3069 HE3 -0.11 0.01 -0.01 -0.04 2.99 2.84 2nxhG1 VAL 3070 H -0.10 0.41 -0.17 -0.55 8.24 7.82 2nxhG1 VAL 3070 HA -0.04 -0.01 0.37 -0.75 4.13 3.69 2nxhG1 VAL 3070 HB -0.31 0.19 0.13 -0.04 2.12 2.09 2nxhG1 VAL 3070 HG13 -0.76 -0.01 -0.15 -0.04 0.97 0.00 2nxhG1 VAL 3070 HG23 -0.32 0.02 -0.08 -0.04 0.95 0.53 2nxhG1 LYS 3071 H -0.07 0.57 -0.08 -0.55 8.42 8.28 2nxhG1 LYS 3071 HA -0.01 0.01 0.41 -0.75 4.32 3.98 2nxhG1 LYS 3071 HB2 0.00 0.03 0.08 -0.04 1.87 1.94 2nxhG1 LYS 3071 HB3 -0.02 -0.01 0.18 -0.04 1.79 1.89 2nxhG1 LYS 3071 HG2 -0.01 -0.02 -0.32 -0.04 1.46 1.06 2nxhG1 LYS 3071 HG3 0.01 0.05 -0.03 -0.04 1.46 1.44 2nxhG1 LYS 3071 HD2 0.00 -0.04 0.04 -0.04 1.69 1.66 2nxhG1 LYS 3071 HD3 0.01 -0.04 -0.01 -0.04 1.68 1.59 2nxhG1 LYS 3071 HE2 0.03 0.00 0.04 -0.04 2.99 3.02 2nxhG1 LYS 3071 HE3 0.03 -0.06 0.09 -0.04 2.99 3.00 2nxhG1 GLU 3072 H -0.07 0.63 -0.21 -0.55 8.60 8.40 2nxhG1 GLU 3072 HA -0.05 0.06 0.49 -0.75 4.29 4.04 2nxhG1 GLU 3072 HB2 -0.06 0.17 0.16 -0.04 2.09 2.32 2nxhG1 GLU 3072 HB3 -0.10 -0.03 0.12 -0.04 1.99 1.95 2nxhG1 GLU 3072 HG2 -0.07 -0.02 -0.03 -0.04 2.34 2.17 2nxhG1 GLU 3072 HG3 -0.05 -0.00 0.06 -0.04 2.34 2.31 2nxhG1 GLU 3073 H -0.20 0.69 0.01 -0.55 8.60 8.56 2nxhG1 GLU 3073 HA -0.26 0.05 0.53 -0.75 4.29 3.85 2nxhG1 GLU 3073 HB2 -0.33 0.00 0.14 -0.04 2.09 1.86 2nxhG1 GLU 3073 HB3 -0.80 -0.00 0.09 -0.04 1.99 1.25 2nxhG1 GLU 3073 HG2 -1.02 0.00 -0.05 -0.04 2.34 1.24 2nxhG1 GLU 3073 HG3 -0.38 -0.01 0.08 -0.04 2.34 1.99 2nxhG1 PHE 3074 H -0.11 0.50 -0.12 -0.55 8.34 8.06 2nxhG1 PHE 3074 HA -0.05 0.19 0.93 -0.75 4.62 4.94 2nxhG1 PHE 3074 HB2 -0.11 0.06 0.03 -0.04 3.15 3.09 2nxhG1 PHE 3074 HB3 -0.07 -0.02 0.10 -0.04 3.06 3.02 2nxhG1 PHE 3074 HD2 -0.12 0.04 -0.01 -0.04 7.28 7.14 2nxhG1 PHE 3074 HE2 -0.08 -0.07 -0.01 -0.04 7.38 7.18 2nxhG1 PHE 3074 HZ -0.05 -0.01 -0.01 -0.04 7.32 7.21 2nxhG1 GLY 3075 H 0.00 0.31 -0.16 -0.55 8.43 8.03 2nxhG1 GLY 3075 HA2 0.02 0.13 0.39 -0.51 4.01 4.03 2nxhG1 GLY 3075 HA3 0.03 -0.03 0.38 -0.51 4.01 3.88 2nxhG1 LEU 3076 H 0.06 0.02 -0.27 -0.55 8.37 7.64 2nxhG1 LEU 3076 HA 0.08 0.19 0.73 -0.75 4.35 4.59 2nxhG1 LEU 3076 HB2 0.04 -0.06 -0.10 -0.04 1.64 1.47 2nxhG1 LEU 3076 HB3 0.10 0.04 -0.09 -0.04 1.64 1.65 2nxhG1 LEU 3076 HG 0.08 -0.02 -0.09 -0.04 1.64 1.57 2nxhG1 LEU 3076 HD13 0.04 0.08 -0.18 -0.04 0.93 0.83 2nxhG1 LEU 3076 HD23 -0.03 -0.05 -0.11 -0.04 0.89 0.67 2nxhG1 LYS 3077 H 0.10 0.22 0.21 -0.55 8.42 8.40 2nxhG1 LYS 3077 HA 0.06 0.13 0.63 -0.75 4.32 4.39 2nxhG1 LYS 3077 HB2 0.08 0.17 0.25 -0.04 1.87 2.33 2nxhG1 LYS 3077 HB3 0.06 -0.06 0.04 -0.04 1.79 1.78 2nxhG1 LYS 3077 HG2 0.05 0.01 0.05 -0.04 1.46 1.53 2nxhG1 LYS 3077 HG3 0.06 0.05 0.06 -0.04 1.46 1.59 2nxhG1 LYS 3077 HD2 0.06 0.06 -0.02 -0.04 1.69 1.75 2nxhG1 LYS 3077 HD3 0.05 -0.05 -0.04 -0.04 1.68 1.60 2nxhG1 LYS 3077 HE2 0.05 -0.01 -0.00 -0.04 2.99 2.99 2nxhG1 LYS 3077 HE3 0.05 0.03 0.01 -0.04 2.99 3.04 2nxhG1 ILE 3078 H 0.06 0.18 0.27 -0.55 8.25 8.20 2nxhG1 ILE 3078 HA 0.16 0.31 1.14 -0.75 4.18 5.03 2nxhG1 ILE 3078 HB 0.06 0.19 0.10 -0.04 1.89 2.20 2nxhG1 ILE 3078 HG12 0.05 0.10 -0.27 -0.04 1.49 1.33 2nxhG1 ILE 3078 HG13 0.04 0.02 -0.12 -0.04 1.21 1.11 2nxhG1 ILE 3078 HG23 0.12 -0.04 -0.26 -0.04 0.93 0.71 2nxhG1 ILE 3078 HD13 0.10 -0.02 -0.10 -0.04 0.88 0.82 2nxhG1 THR 3079 H 0.11 0.73 0.31 -0.55 8.28 8.88 2nxhG1 THR 3079 HA 0.05 0.24 0.84 -0.75 4.39 4.77 2nxhG1 THR 3079 HB 0.00 -0.01 -0.17 -0.04 4.32 4.11 2nxhG1 THR 3079 HG23 0.00 -0.02 -0.27 -0.04 1.22 0.89 2nxhG1 THR 3080 H 0.05 0.46 0.28 -0.55 8.28 8.52 2nxhG1 THR 3080 HA 0.06 0.04 0.58 -0.75 4.39 4.31 2nxhG1 THR 3080 HB 0.15 0.10 -0.09 -0.04 4.32 4.43 2nxhG1 THR 3080 HG23 0.21 0.01 -0.12 -0.04 1.22 1.27 2nxhG1 ASP 3081 H -0.06 0.05 0.13 -0.55 8.40 7.96 2nxhG1 ASP 3081 HA -0.10 0.32 0.97 -0.75 4.63 5.06 2nxhG1 ASP 3081 HB2 -0.26 0.12 -0.03 -0.04 2.71 2.50 2nxhG1 ASP 3081 HB3 -0.11 -0.06 -0.12 -0.04 2.70 2.37 2nxhG1 ILE 3082 H -0.24 0.57 0.31 -0.55 8.25 8.34 2nxhG1 ILE 3082 HA -0.28 0.11 0.91 -0.75 4.18 4.17 2nxhG1 ILE 3082 HB -0.17 -0.10 -0.00 -0.04 1.89 1.58 2nxhG1 ILE 3082 HG12 -0.11 0.16 0.01 -0.04 1.49 1.52 2nxhG1 ILE 3082 HG13 -0.14 -0.06 -0.17 -0.04 1.21 0.80 2nxhG1 ILE 3082 HG23 -0.02 0.02 -0.24 -0.04 0.93 0.66 2nxhG1 ILE 3082 HD13 -0.07 0.02 -0.13 -0.04 0.88 0.66 2nxhG1 HIS 3083 H -0.15 0.00 0.18 -0.55 8.41 7.90 2nxhG1 HIS 3083 HA -0.04 0.23 0.96 -0.75 4.63 5.03 2nxhG1 HIS 3083 HB2 -0.03 -0.01 -0.01 -0.04 3.26 3.18 2nxhG1 HIS 3083 HB3 -0.02 0.04 0.03 -0.04 3.20 3.20 2nxhG1 HIS 3083 HD2 -0.20 -0.01 -0.06 -0.04 6.97 6.66 2nxhG1 HIS 3083 HE1 -0.18 -0.03 -0.06 -0.04 7.75 7.43 2nxhG1 GLU 3084 H -0.15 0.07 0.22 -0.55 8.60 8.19 2nxhG1 GLU 3084 HA 0.03 0.21 0.70 -0.75 4.29 4.48 2nxhG1 GLU 3084 HB2 -0.01 -0.05 0.04 -0.04 2.09 2.03 2nxhG1 GLU 3084 HB3 0.21 -0.04 0.08 -0.04 1.99 2.20 2nxhG1 GLU 3084 HG2 0.12 0.10 0.11 -0.04 2.34 2.62 2nxhG1 GLU 3084 HG3 0.14 -0.01 -0.30 -0.04 2.34 2.13 2nxhG1 SER 3085 H 0.05 0.19 0.08 -0.55 8.46 8.24 2nxhG1 SER 3085 HA -0.03 0.13 0.35 -0.75 4.49 4.19 2nxhG1 SER 3085 HB2 0.11 -0.03 0.08 -0.04 3.95 4.07 2nxhG1 SER 3085 HB3 0.07 0.12 -0.04 -0.04 3.93 4.04 2nxhG1 TRP 3086 H 0.25 0.07 -0.16 -0.55 7.97 7.59 2nxhG1 TRP 3086 HA 0.02 0.15 0.41 -0.75 4.62 4.45 2nxhG1 TRP 3086 HB2 0.02 0.07 0.08 -0.04 3.23 3.36 2nxhG1 TRP 3086 HB3 0.03 0.02 0.08 -0.04 3.23 3.31 2nxhG1 TRP 3086 HD1 0.04 -0.03 -0.01 -0.04 7.22 7.18 2nxhG1 TRP 3086 HE1 0.06 0.02 -0.03 -0.04 10.20 10.21 2nxhG1 TRP 3086 HE3 0.01 0.05 -0.24 -0.04 7.59 7.37 2nxhG1 TRP 3086 HZ2 0.08 -0.00 -0.02 -0.04 7.44 7.45 2nxhG1 TRP 3086 HZ3 -0.01 0.01 -0.05 -0.04 7.13 7.04 2nxhG1 TRP 3086 HH2 0.03 -0.07 -0.01 -0.04 7.19 7.10 2nxhG1 GLN 3087 H -0.81 0.25 -0.37 -0.55 8.47 7.00 2nxhG1 GLN 3087 HA -0.64 0.11 0.47 -0.75 4.36 3.55 2nxhG1 GLN 3087 HB2 -0.41 0.05 0.07 -0.04 2.15 1.82 2nxhG1 GLN 3087 HB3 -0.46 0.00 0.10 -0.04 2.02 1.62 2nxhG1 GLN 3087 HG2 -2.58 0.03 -0.00 -0.04 2.40 -0.20 2nxhG1 GLN 3087 HG3 -1.78 -0.03 0.04 -0.04 2.39 0.59 2nxhG1 GLN 3087 HE21 0.26 0.02 -0.01 -0.04 6.97 7.20 2nxhG1 GLN 3087 HE22 -0.09 0.04 -0.00 -0.04 7.69 7.60 2nxhG1 ALA 3088 H -0.13 0.36 -0.29 -0.55 8.40 7.80 2nxhG1 ALA 3088 HA -0.06 0.00 0.29 -0.75 4.34 3.82 2nxhG1 ALA 3088 HB3 -0.02 0.04 -0.09 -0.04 1.41 1.30 2nxhG1 GLU 3089 H 0.01 0.15 -0.15 -0.55 8.60 8.07 2nxhG1 GLU 3089 HA 0.01 0.13 0.34 -0.75 4.29 4.02 2nxhG1 GLU 3089 HB2 0.05 -0.02 0.11 -0.04 2.09 2.19 2nxhG1 GLU 3089 HB3 0.07 0.03 0.08 -0.04 1.99 2.12 2nxhG1 GLU 3089 HG2 0.03 -0.01 -0.09 -0.04 2.34 2.23 2nxhG1 GLU 3089 HG3 0.03 0.07 0.01 -0.04 2.34 2.41 2nxhG1 PRO 3090 HA 0.01 0.09 0.45 -0.51 4.44 4.48 2nxhG1 PRO 3090 HB2 -0.02 -0.04 -0.03 -0.04 2.28 2.15 2nxhG1 PRO 3090 HB3 0.07 0.00 0.08 -0.04 2.02 2.13 2nxhG1 PRO 3090 HG2 -0.11 0.19 0.10 -0.04 2.03 2.17 2nxhG1 PRO 3090 HG3 0.13 -0.05 0.06 -0.04 2.03 2.13 2nxhG1 PRO 3090 HD2 0.02 0.02 -0.21 -0.04 3.68 3.47 2nxhG1 PRO 3090 HD3 0.12 0.09 0.11 -0.04 3.65 3.93 2nxhG1 VAL 3091 H -0.07 0.49 -0.30 -0.55 8.24 7.81 2nxhG1 VAL 3091 HA -0.06 -0.04 0.42 -0.75 4.13 3.70 2nxhG1 VAL 3091 HB -0.04 0.18 0.11 -0.04 2.12 2.33 2nxhG1 VAL 3091 HG13 0.04 -0.01 -0.17 -0.04 0.97 0.79 2nxhG1 VAL 3091 HG23 -0.11 -0.04 -0.01 -0.04 0.95 0.75 2nxhG1 ALA 3092 H -0.01 0.62 -0.07 -0.55 8.40 8.40 2nxhG1 ALA 3092 HA 0.01 0.05 0.40 -0.75 4.34 4.05 2nxhG1 ALA 3092 HB3 0.01 0.04 0.10 -0.04 1.41 1.53 2nxhG1 GLU 3093 H -0.00 0.27 -0.65 -0.55 8.60 7.67 2nxhG1 GLU 3093 HA 0.01 0.07 0.42 -0.75 4.29 4.03 2nxhG1 GLU 3093 HB2 -0.01 0.06 0.06 -0.04 2.09 2.17 2nxhG1 GLU 3093 HB3 0.00 -0.08 0.08 -0.04 1.99 1.95 2nxhG1 GLU 3093 HG2 0.01 0.16 0.07 -0.04 2.34 2.54 2nxhG1 GLU 3093 HG3 0.00 -0.11 0.10 -0.04 2.34 2.30 2nxhG1 VAL 3094 H 0.01 0.30 -0.24 -0.55 8.24 7.75 2nxhG1 VAL 3094 HA 0.01 0.23 0.92 -0.75 4.13 4.53 2nxhG1 VAL 3094 HB -0.00 -0.01 -0.13 -0.04 2.12 1.94 2nxhG1 VAL 3094 HG13 0.02 -0.00 -0.01 -0.04 0.97 0.93 2nxhG1 VAL 3094 HG23 0.01 -0.03 -0.14 -0.04 0.95 0.75 2nxhG1 ALA 3095 H 0.02 0.45 0.16 -0.55 8.40 8.49 2nxhG1 ALA 3095 HA 0.05 0.01 0.47 -0.75 4.34 4.12 2nxhG1 ALA 3095 HB3 0.04 -0.02 -0.12 -0.04 1.41 1.27 2nxhG1 ASP 3096 H 0.04 0.56 0.42 -0.55 8.40 8.87 2nxhG1 ASP 3096 HA 0.04 0.15 0.64 -0.75 4.63 4.70 2nxhG1 ASP 3096 HB2 0.04 -0.01 0.14 -0.04 2.71 2.84 2nxhG1 ASP 3096 HB3 0.04 -0.00 0.09 -0.04 2.70 2.79 2nxhG1 ILE 3097 H 0.03 0.35 0.18 -0.55 8.25 8.26 2nxhG1 ILE 3097 HA 0.05 0.33 0.79 -0.75 4.18 4.59 2nxhG1 ILE 3097 HB -0.02 -0.10 -0.06 -0.04 1.89 1.68 2nxhG1 ILE 3097 HG12 0.06 0.11 -0.25 -0.04 1.49 1.37 2nxhG1 ILE 3097 HG13 0.01 -0.06 -0.45 -0.04 1.21 0.67 2nxhG1 ILE 3097 HG23 -0.02 -0.02 -0.50 -0.04 0.93 0.34 2nxhG1 ILE 3097 HD13 -0.23 -0.01 -0.25 -0.04 0.88 0.35 2nxhG1 ILE 3098 H 0.03 0.88 0.14 -0.55 8.25 8.76 2nxhG1 ILE 3098 HA 0.01 0.10 0.77 -0.75 4.18 4.31 2nxhG1 ILE 3098 HB 0.01 0.09 0.09 -0.04 1.89 2.04 2nxhG1 ILE 3098 HG12 0.01 -0.06 -0.14 -0.04 1.49 1.26 2nxhG1 ILE 3098 HG13 0.02 0.09 -0.18 -0.04 1.21 1.10 2nxhG1 ILE 3098 HG23 -0.02 -0.03 -0.16 -0.04 0.93 0.67 2nxhG1 ILE 3098 HD13 0.00 0.02 -0.02 -0.04 0.88 0.85 2nxhG1 GLN 3099 H -0.01 0.48 0.16 -0.55 8.47 8.55 2nxhG1 GLN 3099 HA -0.03 0.33 0.79 -0.75 4.36 4.69 2nxhG1 GLN 3099 HB2 0.00 0.03 -0.22 -0.04 2.15 1.92 2nxhG1 GLN 3099 HB3 -0.04 -0.13 -0.30 -0.04 2.02 1.51 2nxhG1 GLN 3099 HG2 -0.10 -0.07 -0.43 -0.04 2.40 1.76 2nxhG1 GLN 3099 HG3 -0.08 0.10 -0.17 -0.04 2.39 2.19 2nxhG1 GLN 3099 HE21 -0.02 -0.02 -0.17 -0.04 6.97 6.72 2nxhG1 GLN 3099 HE22 -0.14 -0.06 -0.22 -0.04 7.69 7.23 2nxhG1 ILE 3100 H -0.06 0.71 0.34 -0.55 8.25 8.69 2nxhG1 ILE 3100 HA -0.09 0.18 0.88 -0.75 4.18 4.40 2nxhG1 ILE 3100 HB -0.04 -0.09 0.12 -0.04 1.89 1.84 2nxhG1 ILE 3100 HG12 -0.03 0.06 -0.30 -0.04 1.49 1.18 2nxhG1 ILE 3100 HG13 -0.01 0.02 -0.17 -0.04 1.21 1.00 2nxhG1 ILE 3100 HG23 -0.03 0.03 -0.27 -0.04 0.93 0.62 2nxhG1 ILE 3100 HD13 -0.03 0.00 -0.24 -0.04 0.88 0.57 2nxhG1 PRO 3101 HA -0.17 0.02 0.38 -0.51 4.44 4.17 2nxhG1 PRO 3101 HB2 -0.00 -0.08 -0.00 -0.04 2.28 2.16 2nxhG1 PRO 3101 HB3 -0.08 -0.02 0.06 -0.04 2.02 1.94 2nxhG1 PRO 3101 HG2 -0.01 0.08 0.06 -0.04 2.03 2.12 2nxhG1 PRO 3101 HG3 -0.13 -0.02 -0.00 -0.04 2.03 1.83 2nxhG1 PRO 3101 HD2 -0.08 0.08 0.20 -0.04 3.68 3.84 2nxhG1 PRO 3101 HD3 -0.17 0.28 0.31 -0.04 3.65 4.03 2nxhG1 ALA 3102 H -0.27 0.13 0.12 -0.55 8.40 7.83 2nxhG1 ALA 3102 HA -0.17 0.39 0.22 -0.75 4.34 4.03 2nxhG1 ALA 3102 HB3 -0.34 -0.00 -0.03 -0.04 1.41 1.00 2nxhG1 PHE 3103 H -0.20 0.10 -0.10 -0.55 8.34 7.58 2nxhG1 PHE 3103 HA 0.31 0.07 0.44 -0.75 4.62 4.68 2nxhG1 PHE 3103 HB2 0.05 0.00 -0.01 -0.04 3.15 3.14 2nxhG1 PHE 3103 HB3 0.08 0.06 0.07 -0.04 3.06 3.23 2nxhG1 PHE 3103 HD2 0.10 -0.01 -0.03 -0.04 7.28 7.30 2nxhG1 PHE 3103 HE2 0.04 0.06 -0.02 -0.04 7.38 7.42 2nxhG1 PHE 3103 HZ 0.02 0.01 -0.03 -0.04 7.32 7.29 2nxhG1 LEU 3104 H 0.10 0.23 -0.68 -0.55 8.37 7.47 2nxhG1 LEU 3104 HA 0.13 0.16 0.86 -0.75 4.35 4.75 2nxhG1 LEU 3104 HB2 0.03 0.13 -0.00 -0.04 1.64 1.76 2nxhG1 LEU 3104 HB3 0.05 -0.05 0.14 -0.04 1.64 1.74 2nxhG1 LEU 3104 HG 0.13 -0.16 -0.14 -0.04 1.64 1.43 2nxhG1 LEU 3104 HD13 0.07 0.03 0.07 -0.04 0.93 1.07 2nxhG1 LEU 3104 HD23 0.11 0.03 -0.12 -0.04 0.89 0.86 2nxhG1 CYS 3105 H 0.09 0.36 -0.20 -0.55 8.50 8.20 2nxhG1 CYS 3105 HA 0.00 0.07 0.24 -0.75 4.58 4.14 2nxhG1 CYS 3105 HB2 -0.04 -0.03 0.10 -0.04 2.97 2.95 2nxhG1 CYS 3105 HB3 -0.07 0.30 0.16 -0.04 2.97 3.33 2nxhG1 ARG 3106 H 0.15 0.01 -0.75 -0.55 8.46 7.31 2nxhG1 ARG 3106 HA 0.05 0.24 0.82 -0.75 4.34 4.70 2nxhG1 ARG 3106 HB2 0.15 0.01 -0.03 -0.04 1.90 1.99 2nxhG1 ARG 3106 HB3 0.05 -0.01 0.02 -0.04 1.80 1.81 2nxhG1 ARG 3106 HG2 0.25 -0.04 -0.21 -0.04 1.67 1.64 2nxhG1 ARG 3106 HG3 0.22 -0.00 -0.05 -0.04 1.67 1.80 2nxhG1 ARG 3106 HD2 0.04 -0.02 0.05 -0.04 3.22 3.25 2nxhG1 ARG 3106 HD3 0.05 0.07 -0.02 -0.04 3.22 3.28 2nxhG1 GLN 3107 H 0.05 0.49 -0.08 -0.55 8.47 8.39 2nxhG1 GLN 3107 HA 0.02 0.04 0.55 -0.75 4.36 4.22 2nxhG1 GLN 3107 HB2 0.03 0.09 0.23 -0.04 2.15 2.46 2nxhG1 GLN 3107 HB3 0.03 -0.12 0.08 -0.04 2.02 1.97 2nxhG1 GLN 3107 HG2 0.06 -0.01 0.14 -0.04 2.40 2.55 2nxhG1 GLN 3107 HG3 0.04 0.02 0.08 -0.04 2.39 2.49 2nxhG1 GLN 3107 HE21 -0.01 0.04 -0.06 -0.04 6.97 6.90 2nxhG1 GLN 3107 HE22 0.04 -0.03 -0.06 -0.04 7.69 7.60 2nxhG1 THR 3108 H 0.00 0.27 0.28 -0.55 8.28 8.29 2nxhG1 THR 3108 HA 0.00 0.12 0.30 -0.75 4.39 4.06 2nxhG1 THR 3108 HB -0.01 -0.07 0.15 -0.04 4.32 4.35 2nxhG1 THR 3108 HG23 -0.03 0.02 -0.07 -0.04 1.22 1.09 2nxhG1 ASP 3109 H 0.02 0.10 -0.08 -0.55 8.40 7.88 2nxhG1 ASP 3109 HA 0.03 0.17 0.46 -0.75 4.63 4.54 2nxhG1 ASP 3109 HB2 0.03 -0.04 0.06 -0.04 2.71 2.72 2nxhG1 ASP 3109 HB3 0.04 0.01 0.04 -0.04 2.70 2.75 2nxhG1 LEU 3110 H 0.02 0.20 -0.32 -0.55 8.37 7.73 2nxhG1 LEU 3110 HA 0.00 -0.01 0.37 -0.75 4.35 3.96 2nxhG1 LEU 3110 HB2 0.01 -0.10 -0.01 -0.04 1.64 1.51 2nxhG1 LEU 3110 HB3 0.01 0.22 0.02 -0.04 1.64 1.85 2nxhG1 LEU 3110 HG -0.04 0.05 -0.25 -0.04 1.64 1.37 2nxhG1 LEU 3110 HD13 -0.05 -0.03 -0.52 -0.04 0.93 0.29 2nxhG1 LEU 3110 HD23 -0.02 0.06 -0.13 -0.04 0.89 0.76 2nxhG1 LEU 3111 H 0.01 0.42 -0.14 -0.55 8.37 8.12 2nxhG1 LEU 3111 HA 0.01 0.04 0.33 -0.75 4.35 3.97 2nxhG1 LEU 3111 HB2 0.02 0.08 0.03 -0.04 1.64 1.72 2nxhG1 LEU 3111 HB3 0.02 0.03 -0.13 -0.04 1.64 1.52 2nxhG1 LEU 3111 HG 0.01 0.05 -0.13 -0.04 1.64 1.53 2nxhG1 LEU 3111 HD13 0.00 0.04 -0.19 -0.04 0.93 0.74 2nxhG1 LEU 3111 HD23 0.00 -0.00 -0.09 -0.04 0.89 0.76 2nxhG1 LEU 3112 H 0.03 0.47 -0.19 -0.55 8.37 8.14 2nxhG1 LEU 3112 HA 0.07 0.10 0.38 -0.75 4.35 4.15 2nxhG1 LEU 3112 HB2 0.05 0.05 0.17 -0.04 1.64 1.88 2nxhG1 LEU 3112 HB3 0.07 -0.00 -0.06 -0.04 1.64 1.61 2nxhG1 LEU 3112 HG 0.17 0.05 0.01 -0.04 1.64 1.84 2nxhG1 LEU 3112 HD13 0.13 0.02 -0.04 -0.04 0.93 1.00 2nxhG1 LEU 3112 HD23 0.09 -0.03 -0.07 -0.04 0.89 0.85 2nxhG1 ALA 3113 H 0.03 0.45 -0.22 -0.55 8.40 8.11 2nxhG1 ALA 3113 HA 0.03 0.04 0.41 -0.75 4.34 4.07 2nxhG1 ALA 3113 HB3 0.02 -0.00 0.15 -0.04 1.41 1.53 2nxhG1 ALA 3114 H 0.01 0.46 -0.26 -0.55 8.40 8.06 2nxhG1 ALA 3114 HA -0.00 -0.04 0.36 -0.75 4.34 3.91 2nxhG1 ALA 3114 HB3 -0.00 0.02 0.01 -0.04 1.41 1.39 2nxhG1 ALA 3115 H 0.02 0.49 -0.16 -0.55 8.40 8.21 2nxhG1 ALA 3115 HA 0.02 0.04 0.29 -0.75 4.34 3.94 2nxhG1 ALA 3115 HB3 0.03 -0.02 -0.06 -0.04 1.41 1.32 2nxhG1 LYS 3116 H 0.02 0.42 -0.22 -0.55 8.42 8.09 2nxhG1 LYS 3116 HA 0.01 0.17 0.40 -0.75 4.32 4.14 2nxhG1 LYS 3116 HB2 0.01 -0.09 0.12 -0.04 1.87 1.87 2nxhG1 LYS 3116 HB3 0.02 0.01 0.13 -0.04 1.79 1.91 2nxhG1 LYS 3116 HG2 0.03 0.07 0.26 -0.04 1.46 1.77 2nxhG1 LYS 3116 HG3 0.02 0.05 -0.04 -0.04 1.46 1.45 2nxhG1 LYS 3116 HD2 0.04 -0.12 0.01 -0.04 1.69 1.58 2nxhG1 LYS 3116 HD3 0.03 -0.03 -0.01 -0.04 1.68 1.63 2nxhG1 LYS 3116 HE2 0.04 -0.09 -0.03 -0.04 2.99 2.87 2nxhG1 LYS 3116 HE3 0.03 0.09 -0.03 -0.04 2.99 3.04 2nxhG1 THR 3117 H 0.01 0.37 -0.56 -0.55 8.28 7.55 2nxhG1 THR 3117 HA 0.01 0.02 0.44 -0.75 4.39 4.12 2nxhG1 THR 3117 HB 0.01 -0.04 0.09 -0.04 4.32 4.34 2nxhG1 THR 3117 HG23 0.01 0.04 -0.08 -0.04 1.22 1.15 2nxhG1 GLY 3118 H 0.01 0.48 -0.22 -0.55 8.43 8.15 2nxhG1 GLY 3118 HA2 0.01 0.05 0.31 -0.51 4.01 3.86 2nxhG1 GLY 3118 HA3 0.01 0.09 0.65 -0.51 4.01 4.25 2nxhG1 ARG 3119 H 0.02 -0.00 -0.37 -0.55 8.46 7.55 2nxhG1 ARG 3119 HA 0.03 0.12 0.63 -0.75 4.34 4.36 2nxhG1 ARG 3119 HB2 0.02 -0.09 -0.05 -0.04 1.90 1.74 2nxhG1 ARG 3119 HB3 0.03 0.07 -0.06 -0.04 1.80 1.81 2nxhG1 ARG 3119 HG2 0.02 -0.06 -0.09 -0.04 1.67 1.50 2nxhG1 ARG 3119 HG3 0.02 0.02 0.04 -0.04 1.67 1.71 2nxhG1 ARG 3119 HD2 0.03 0.04 0.09 -0.04 3.22 3.33 2nxhG1 ARG 3119 HD3 0.02 -0.06 -0.17 -0.04 3.22 2.98 2nxhG1 ALA 3120 H 0.06 0.33 0.28 -0.55 8.40 8.52 2nxhG1 ALA 3120 HA 0.07 0.08 0.60 -0.75 4.34 4.33 2nxhG1 ALA 3120 HB3 0.16 0.00 0.11 -0.04 1.41 1.64 2nxhG1 VAL 3121 H 0.10 0.61 0.36 -0.55 8.24 8.76 2nxhG1 VAL 3121 HA 0.06 0.23 1.00 -0.75 4.13 4.66 2nxhG1 VAL 3121 HB 0.05 -0.03 0.05 -0.04 2.12 2.14 2nxhG1 VAL 3121 HG13 0.02 -0.01 -0.21 -0.04 0.97 0.73 2nxhG1 VAL 3121 HG23 0.03 0.03 -0.30 -0.04 0.95 0.67 2nxhG1 ASN 3122 H 0.04 0.65 0.12 -0.55 8.53 8.80 2nxhG1 ASN 3122 HA 0.14 0.23 0.90 -0.75 4.76 5.27 2nxhG1 ASN 3122 HB2 -0.02 0.05 -0.27 -0.04 2.88 2.60 2nxhG1 ASN 3122 HB3 -0.01 -0.06 -0.15 -0.04 2.79 2.52 2nxhG1 ASN 3122 HD21 -0.08 -0.06 -0.35 -0.04 7.03 6.50 2nxhG1 ASN 3122 HD22 -0.03 -0.01 -0.30 -0.04 7.74 7.37 2nxhG1 VAL 3123 H 0.03 0.69 0.18 -0.55 8.24 8.59 2nxhG1 VAL 3123 HA -0.05 0.09 1.00 -0.75 4.13 4.42 2nxhG1 VAL 3123 HB -0.01 0.01 0.10 -0.04 2.12 2.18 2nxhG1 VAL 3123 HG13 -0.05 0.03 -0.19 -0.04 0.97 0.73 2nxhG1 VAL 3123 HG23 0.00 0.02 -0.14 -0.04 0.95 0.78 2nxhG1 LYS 3124 H -0.12 0.63 0.16 -0.55 8.42 8.54 2nxhG1 LYS 3124 HA -0.19 0.03 0.52 -0.75 4.32 3.94 2nxhG1 LYS 3124 HB2 -0.21 -0.07 -0.01 -0.04 1.87 1.54 2nxhG1 LYS 3124 HB3 -0.27 0.03 -0.07 -0.04 1.79 1.44 2nxhG1 LYS 3124 HG2 -0.23 0.10 -0.11 -0.04 1.46 1.18 2nxhG1 LYS 3124 HG3 -0.33 -0.15 -0.06 -0.04 1.46 0.87 2nxhG1 LYS 3124 HD2 -0.41 0.03 -0.13 -0.04 1.69 1.15 2nxhG1 LYS 3124 HD3 -0.35 0.03 -0.21 -0.04 1.68 1.11 2nxhG1 LYS 3124 HE2 -1.19 -0.01 -0.17 -0.04 2.99 1.58 2nxhG1 LYS 3124 HE3 -0.52 0.01 -0.18 -0.04 2.99 2.26 2nxhG1 LYS 3125 H -0.15 0.67 0.31 -0.55 8.42 8.69 2nxhG1 LYS 3125 HA -0.16 0.02 0.51 -0.75 4.32 3.93 2nxhG1 LYS 3125 HB2 -0.10 -0.00 0.05 -0.04 1.87 1.77 2nxhG1 LYS 3125 HB3 -0.14 -0.02 0.22 -0.04 1.79 1.81 2nxhG1 LYS 3125 HG2 -0.21 0.17 -0.24 -0.04 1.46 1.14 2nxhG1 LYS 3125 HG3 -0.19 -0.08 -0.08 -0.04 1.46 1.08 2nxhG1 LYS 3125 HD2 -0.18 0.08 -0.28 -0.04 1.69 1.27 2nxhG1 LYS 3125 HD3 -0.10 -0.01 -0.11 -0.04 1.68 1.42 2nxhG1 LYS 3125 HE2 -0.12 -0.04 -0.06 -0.04 2.99 2.73 2nxhG1 LYS 3125 HE3 -0.11 -0.03 -0.03 -0.04 2.99 2.78 2nxhG1 GLY 3126 H -0.35 0.10 0.20 -0.55 8.43 7.83 2nxhG1 GLY 3126 HA2 -0.36 -0.03 0.33 -0.51 4.01 3.44 2nxhG1 GLY 3126 HA3 -1.16 0.01 0.36 -0.51 4.01 2.71 2nxhG1 GLN 3127 H -0.13 0.09 0.11 -0.55 8.47 8.00 2nxhG1 GLN 3127 HA -0.10 0.36 0.52 -0.75 4.36 4.38 2nxhG1 GLN 3127 HB2 0.19 -0.04 0.05 -0.04 2.15 2.31 2nxhG1 GLN 3127 HB3 0.07 -0.05 0.08 -0.04 2.02 2.08 2nxhG1 GLN 3127 HG2 0.05 0.02 -0.08 -0.04 2.40 2.35 2nxhG1 GLN 3127 HG3 -0.06 0.23 -0.08 -0.04 2.39 2.44 2nxhG1 GLN 3127 HE21 -0.43 -0.11 -0.04 -0.04 6.97 6.35 2nxhG1 GLN 3127 HE22 -0.06 0.09 -0.06 -0.04 7.69 7.62 2nxhG1 PHE 3128 H -0.66 -0.05 -0.51 -0.55 8.34 6.57 2nxhG1 PHE 3128 HA 0.00 0.19 0.71 -0.75 4.62 4.76 2nxhG1 PHE 3128 HB2 0.00 0.03 0.08 -0.04 3.15 3.22 2nxhG1 PHE 3128 HB3 0.02 -0.01 0.01 -0.04 3.06 3.04 2nxhG1 PHE 3128 HD2 0.04 -0.01 -0.16 -0.04 7.28 7.11 2nxhG1 PHE 3128 HE2 0.08 -0.01 -0.01 -0.04 7.38 7.40 2nxhG1 PHE 3128 HZ 0.04 -0.01 -0.04 -0.04 7.32 7.27 2nxhG1 LEU 3129 H -0.40 0.48 -0.30 -0.55 8.37 7.59 2nxhG1 LEU 3129 HA -0.04 0.13 0.80 -0.75 4.35 4.49 2nxhG1 LEU 3129 HB2 -0.49 -0.16 0.03 -0.04 1.64 0.98 2nxhG1 LEU 3129 HB3 -0.25 0.06 -0.06 -0.04 1.64 1.34 2nxhG1 LEU 3129 HG -0.12 0.09 -0.10 -0.04 1.64 1.47 2nxhG1 LEU 3129 HD13 0.08 0.00 -0.06 -0.04 0.93 0.91 2nxhG1 LEU 3129 HD23 -0.12 -0.01 -0.09 -0.04 0.89 0.62 2nxhG1 ALA 3130 H -0.17 0.09 0.16 -0.55 8.40 7.93 2nxhG1 ALA 3130 HA -0.45 0.20 0.60 -0.75 4.34 3.93 2nxhG1 ALA 3130 HB3 -0.76 0.00 0.09 -0.04 1.41 0.69 2nxhG1 PRO 3131 HA -0.16 0.11 0.37 -0.51 4.44 4.26 2nxhG1 PRO 3131 HB2 -0.15 0.03 0.05 -0.04 2.28 2.17 2nxhG1 PRO 3131 HB3 -0.09 0.07 0.11 -0.04 2.02 2.07 2nxhG1 PRO 3131 HG2 -0.24 0.03 0.05 -0.04 2.03 1.83 2nxhG1 PRO 3131 HG3 -0.24 0.07 0.09 -0.04 2.03 1.91 2nxhG1 PRO 3131 HD2 -1.43 0.08 0.19 -0.04 3.68 2.47 2nxhG1 PRO 3131 HD3 -0.54 0.20 0.25 -0.04 3.65 3.52 2nxhG1 TRP 3132 H -0.95 0.14 -0.12 -0.55 7.97 6.49 2nxhG1 TRP 3132 HA 0.61 0.17 0.38 -0.75 4.62 5.02 2nxhG1 TRP 3132 HB2 0.14 0.04 0.03 -0.04 3.23 3.39 2nxhG1 TRP 3132 HB3 0.23 0.07 0.07 -0.04 3.23 3.56 2nxhG1 TRP 3132 HD1 0.03 0.03 -0.17 -0.04 7.22 7.07 2nxhG1 TRP 3132 HE1 0.03 0.03 -0.02 -0.04 10.20 10.20 2nxhG1 TRP 3132 HE3 0.09 0.04 0.00 -0.04 7.59 7.68 2nxhG1 TRP 3132 HZ2 0.03 0.03 0.01 -0.04 7.44 7.46 2nxhG1 TRP 3132 HZ3 0.03 0.03 -0.01 -0.04 7.13 7.14 2nxhG1 TRP 3132 HH2 0.02 0.02 0.01 -0.04 7.19 7.20 2nxhG1 ASP 3133 H -0.29 0.26 -0.57 -0.55 8.40 7.26 2nxhG1 ASP 3133 HA 0.02 0.11 0.59 -0.75 4.63 4.59 2nxhG1 ASP 3133 HB2 -0.11 0.13 0.09 -0.04 2.71 2.78 2nxhG1 ASP 3133 HB3 -0.01 -0.01 0.13 -0.04 2.70 2.77 2nxhG1 THR 3134 H 0.04 0.53 -0.40 -0.55 8.28 7.90 2nxhG1 THR 3134 HA -0.07 0.06 0.53 -0.75 4.39 4.16 2nxhG1 THR 3134 HB 0.11 -0.03 0.08 -0.04 4.32 4.44 2nxhG1 THR 3134 HG23 0.00 0.01 -0.01 -0.04 1.22 1.17 2nxhG1 LYS 3135 H -0.55 0.33 -0.38 -0.55 8.42 7.27 2nxhG1 LYS 3135 HA -1.57 0.13 0.39 -0.75 4.32 2.52 2nxhG1 LYS 3135 HB2 -2.42 0.07 0.10 -0.04 1.87 -0.42 2nxhG1 LYS 3135 HB3 -0.68 -0.00 0.07 -0.04 1.79 1.14 2nxhG1 LYS 3135 HG2 -0.44 -0.05 -0.16 -0.04 1.46 0.77 2nxhG1 LYS 3135 HG3 -0.79 0.05 0.03 -0.04 1.46 0.71 2nxhG1 LYS 3135 HD2 -0.43 0.03 0.00 -0.04 1.69 1.25 2nxhG1 LYS 3135 HD3 -0.27 -0.03 -0.03 -0.04 1.68 1.30 2nxhG1 LYS 3135 HE2 -0.09 -0.03 -0.03 -0.04 2.99 2.79 2nxhG1 LYS 3135 HE3 0.03 0.06 -0.02 -0.04 2.99 3.02 2nxhG1 ASN 3136 H -0.26 0.22 -0.25 -0.55 8.53 7.69 2nxhG1 ASN 3136 HA -0.15 0.10 0.46 -0.75 4.76 4.41 2nxhG1 ASN 3136 HB2 -0.09 0.11 0.08 -0.04 2.88 2.94 2nxhG1 ASN 3136 HB3 -0.08 0.00 -0.02 -0.04 2.79 2.66 2nxhG1 ASN 3136 HD21 -0.05 0.00 0.01 -0.04 7.03 6.96 2nxhG1 ASN 3136 HD22 -0.04 0.02 0.04 -0.04 7.74 7.71 2nxhG1 VAL 3137 H -0.14 0.15 -0.40 -0.55 8.24 7.31 2nxhG1 VAL 3137 HA -0.04 0.05 0.40 -0.75 4.13 3.78 2nxhG1 VAL 3137 HB -0.05 0.18 0.15 -0.04 2.12 2.36 2nxhG1 VAL 3137 HG13 -0.01 0.00 -0.11 -0.04 0.97 0.81 2nxhG1 VAL 3137 HG23 -0.04 0.03 0.06 -0.04 0.95 0.95 2nxhG1 VAL 3138 H -0.13 0.53 -0.12 -0.55 8.24 7.97 2nxhG1 VAL 3138 HA 0.01 0.02 0.35 -0.75 4.13 3.75 2nxhG1 VAL 3138 HB -0.13 0.10 0.13 -0.04 2.12 2.18 2nxhG1 VAL 3138 HG13 0.06 0.04 -0.08 -0.04 0.97 0.95 2nxhG1 VAL 3138 HG23 0.15 0.02 -0.09 -0.04 0.95 1.00 2nxhG1 GLU 3139 H -0.11 0.39 -0.31 -0.55 8.60 8.02 2nxhG1 GLU 3139 HA 0.00 0.05 0.36 -0.75 4.29 3.95 2nxhG1 GLU 3139 HB2 -0.08 0.07 0.11 -0.04 2.09 2.15 2nxhG1 GLU 3139 HB3 -0.06 0.06 0.11 -0.04 1.99 2.05 2nxhG1 GLU 3139 HG2 0.02 -0.03 -0.11 -0.04 2.34 2.18 2nxhG1 GLU 3139 HG3 0.01 0.01 0.05 -0.04 2.34 2.37 2nxhG1 LYS 3140 H -0.03 0.52 -0.20 -0.55 8.42 8.16 2nxhG1 LYS 3140 HA 0.02 0.00 0.44 -0.75 4.32 4.02 2nxhG1 LYS 3140 HB2 -0.01 0.17 0.14 -0.04 1.87 2.14 2nxhG1 LYS 3140 HB3 0.01 -0.09 -0.06 -0.04 1.79 1.61 2nxhG1 LYS 3140 HG2 -0.08 -0.06 0.04 -0.04 1.46 1.32 2nxhG1 LYS 3140 HG3 -0.05 0.17 0.06 -0.04 1.46 1.60 2nxhG1 LYS 3140 HD2 -0.02 0.05 -0.05 -0.04 1.69 1.64 2nxhG1 LYS 3140 HD3 -0.03 -0.11 -0.01 -0.04 1.68 1.49 2nxhG1 LYS 3140 HE2 -0.06 -0.04 0.00 -0.04 2.99 2.86 2nxhG1 LYS 3140 HE3 -0.04 0.01 -0.05 -0.04 2.99 2.87 2nxhG1 LEU 3141 H 0.02 0.49 -0.21 -0.55 8.37 8.13 2nxhG1 LEU 3141 HA 0.05 0.00 0.35 -0.75 4.35 4.00 2nxhG1 LEU 3141 HB2 0.03 0.17 0.12 -0.04 1.64 1.91 2nxhG1 LEU 3141 HB3 0.03 -0.02 -0.06 -0.04 1.64 1.55 2nxhG1 LEU 3141 HG 0.02 0.07 -0.03 -0.04 1.64 1.66 2nxhG1 LEU 3141 HD13 0.02 -0.02 -0.11 -0.04 0.93 0.78 2nxhG1 LEU 3141 HD23 0.03 -0.03 -0.08 -0.04 0.89 0.77 2nxhG1 LYS 3142 H 0.05 0.55 -0.09 -0.55 8.42 8.38 2nxhG1 LYS 3142 HA 0.02 0.23 0.45 -0.75 4.32 4.27 2nxhG1 LYS 3142 HB2 0.05 0.01 0.13 -0.04 1.87 2.02 2nxhG1 LYS 3142 HB3 0.03 -0.04 0.01 -0.04 1.79 1.75 2nxhG1 LYS 3142 HG2 0.02 0.13 0.02 -0.04 1.46 1.59 2nxhG1 LYS 3142 HG3 0.03 0.12 0.02 -0.04 1.46 1.59 2nxhG1 LYS 3142 HD2 0.03 -0.07 -0.02 -0.04 1.69 1.59 2nxhG1 LYS 3142 HD3 0.02 -0.02 0.00 -0.04 1.68 1.65 2nxhG1 LYS 3142 HE2 0.03 0.05 0.00 -0.04 2.99 3.02 2nxhG1 LYS 3142 HE3 0.05 0.00 -0.02 -0.04 2.99 2.98 2nxhG1 PHE 3143 H 0.18 0.53 -0.22 -0.55 8.34 8.28 2nxhG1 PHE 3143 HA -0.00 -0.02 0.34 -0.75 4.62 4.18 2nxhG1 PHE 3143 HB2 -0.01 0.02 0.14 -0.04 3.15 3.26 2nxhG1 PHE 3143 HB3 -0.01 0.18 0.17 -0.04 3.06 3.36 2nxhG1 PHE 3143 HD2 -0.00 0.02 -0.11 -0.04 7.28 7.14 2nxhG1 PHE 3143 HE2 0.00 -0.04 -0.03 -0.04 7.38 7.27 2nxhG1 PHE 3143 HZ 0.00 -0.05 -0.02 -0.04 7.32 7.22 2nxhG1 GLY 3144 H 0.15 0.36 -0.40 -0.55 8.43 8.00 2nxhG1 GLY 3144 HA2 0.02 -0.01 0.46 -0.51 4.01 3.97 2nxhG1 GLY 3144 HA3 0.08 -0.07 0.30 -0.51 4.01 3.81 2nxhG1 GLY 3145 H -0.02 0.49 -0.55 -0.55 8.43 7.81 2nxhG1 GLY 3145 HA2 -0.04 0.00 0.23 -0.51 4.01 3.69 2nxhG1 GLY 3145 HA3 -0.03 0.11 0.70 -0.51 4.01 4.28 2nxhG1 ALA 3146 H 0.01 0.51 0.02 -0.55 8.40 8.40 2nxhG1 ALA 3146 HA 0.01 0.10 0.44 -0.75 4.34 4.14 2nxhG1 ALA 3146 HB3 0.02 -0.04 -0.13 -0.04 1.41 1.22 2nxhG1 LYS 3147 H 0.01 0.12 0.16 -0.55 8.42 8.16 2nxhG1 LYS 3147 HA -0.00 0.16 0.75 -0.75 4.32 4.48 2nxhG1 LYS 3147 HB2 0.00 0.00 0.11 -0.04 1.87 1.94 2nxhG1 LYS 3147 HB3 -0.00 -0.04 0.04 -0.04 1.79 1.75 2nxhG1 LYS 3147 HG2 -0.00 -0.05 -0.05 -0.04 1.46 1.32 2nxhG1 LYS 3147 HG3 -0.00 0.22 -0.15 -0.04 1.46 1.49 2nxhG1 LYS 3147 HD2 0.00 0.04 0.06 -0.04 1.69 1.75 2nxhG1 LYS 3147 HD3 0.00 -0.08 0.02 -0.04 1.68 1.58 2nxhG1 LYS 3147 HE2 -0.01 -0.07 0.00 -0.04 2.99 2.87 2nxhG1 LYS 3147 HE3 -0.01 0.20 0.05 -0.04 2.99 3.20 2nxhG1 GLU 3148 H 0.01 0.11 0.08 -0.55 8.60 8.25 2nxhG1 GLU 3148 HA -0.08 0.19 0.89 -0.75 4.29 4.54 2nxhG1 GLU 3148 HB2 0.01 0.05 0.02 -0.04 2.09 2.12 2nxhG1 GLU 3148 HB3 0.05 -0.06 0.19 -0.04 1.99 2.13 2nxhG1 GLU 3148 HG2 0.04 -0.06 -0.25 -0.04 2.34 2.03 2nxhG1 GLU 3148 HG3 -0.13 0.05 -0.02 -0.04 2.34 2.20 2nxhG1 ILE 3149 H -0.18 0.26 0.13 -0.55 8.25 7.91 2nxhG1 ILE 3149 HA 0.01 0.30 1.13 -0.75 4.18 4.86 2nxhG1 ILE 3149 HB -0.03 0.04 0.04 -0.04 1.89 1.89 2nxhG1 ILE 3149 HG12 0.02 0.00 -0.22 -0.04 1.49 1.25 2nxhG1 ILE 3149 HG13 -0.01 -0.12 -0.83 -0.04 1.21 0.21 2nxhG1 ILE 3149 HG23 0.03 -0.02 -0.18 -0.04 0.93 0.73 2nxhG1 ILE 3149 HD13 0.02 0.02 -0.17 -0.04 0.88 0.71 2nxhG1 TYR 3150 H 0.17 0.64 0.42 -0.55 8.29 8.97 2nxhG1 TYR 3150 HA 0.01 0.33 1.00 -0.75 4.56 5.15 2nxhG1 TYR 3150 HB2 -0.01 -0.15 -0.07 -0.04 3.06 2.79 2nxhG1 TYR 3150 HB3 -0.02 -0.01 -0.12 -0.04 2.98 2.79 2nxhG1 TYR 3150 HD2 -0.02 0.02 -0.32 -0.04 7.15 6.79 2nxhG1 TYR 3150 HE2 -0.02 0.04 -0.20 -0.04 6.85 6.63 2nxhG1 LEU 3151 H 0.11 0.71 0.32 -0.55 8.37 8.97 2nxhG1 LEU 3151 HA 0.04 0.18 0.92 -0.75 4.35 4.73 2nxhG1 LEU 3151 HB2 0.06 0.07 -0.00 -0.04 1.64 1.72 2nxhG1 LEU 3151 HB3 0.04 -0.06 -0.05 -0.04 1.64 1.54 2nxhG1 LEU 3151 HG 0.12 0.02 -0.35 -0.04 1.64 1.40 2nxhG1 LEU 3151 HD13 0.31 0.02 -0.12 -0.04 0.93 1.11 2nxhG1 LEU 3151 HD23 0.05 -0.00 -0.00 -0.04 0.89 0.90 2nxhG1 THR 3152 H -0.05 0.63 0.27 -0.55 8.28 8.58 2nxhG1 THR 3152 HA -0.04 0.39 1.25 -0.75 4.39 5.23 2nxhG1 THR 3152 HB -0.19 -0.09 -0.08 -0.04 4.32 3.92 2nxhG1 THR 3152 HG23 -0.28 -0.01 -0.35 -0.04 1.22 0.53 2nxhG1 GLU 3153 H -0.03 0.75 0.39 -0.55 8.60 9.16 2nxhG1 GLU 3153 HA -0.09 0.09 0.67 -0.75 4.29 4.21 2nxhG1 GLU 3153 HB2 -0.01 0.07 0.03 -0.04 2.09 2.15 2nxhG1 GLU 3153 HB3 0.14 0.02 0.23 -0.04 1.99 2.34 2nxhG1 GLU 3153 HG2 -0.06 0.04 -0.08 -0.04 2.34 2.20 2nxhG1 GLU 3153 HG3 0.07 -0.04 -0.21 -0.04 2.34 2.12 2nxhG1 ARG 3154 H -0.14 0.30 0.17 -0.55 8.46 8.23 2nxhG1 ARG 3154 HA -0.20 0.16 0.75 -0.75 4.34 4.30 2nxhG1 ARG 3154 HB2 -0.19 -0.07 0.07 -0.04 1.90 1.68 2nxhG1 ARG 3154 HB3 -0.28 -0.05 -0.17 -0.04 1.80 1.26 2nxhG1 ARG 3154 HG2 -0.28 -0.14 -0.10 -0.04 1.67 1.11 2nxhG1 ARG 3154 HG3 -0.20 0.16 0.01 -0.04 1.67 1.60 2nxhG1 ARG 3154 HD2 -0.21 0.14 -0.09 -0.04 3.22 3.02 2nxhG1 ARG 3154 HD3 -0.15 0.11 -0.17 -0.04 3.22 2.97 2nxhG1 GLY 3155 H -0.10 -0.03 0.00 -0.55 8.43 7.76 2nxhG1 GLY 3155 HA2 -0.09 0.08 0.28 -0.51 4.01 3.78 2nxhG1 GLY 3155 HA3 -0.05 0.22 0.61 -0.51 4.01 4.28 2nxhG1 THR 3156 H -0.05 0.43 0.37 -0.55 8.28 8.48 2nxhG1 THR 3156 HA -0.05 0.18 0.99 -0.75 4.39 4.76 2nxhG1 THR 3156 HB -0.05 -0.05 0.08 -0.04 4.32 4.26 2nxhG1 THR 3156 HG23 -0.02 0.08 0.01 -0.04 1.22 1.25 2nxhG1 THR 3157 H 0.04 0.54 0.30 -0.55 8.28 8.61 2nxhG1 THR 3157 HA 0.09 0.11 0.53 -0.75 4.39 4.37 2nxhG1 THR 3157 HB 0.08 0.02 0.18 -0.04 4.32 4.55 2nxhG1 THR 3157 HG23 0.07 -0.02 -0.07 -0.04 1.22 1.16 2nxhG1 PHE 3158 H 0.15 0.61 0.18 -0.55 8.34 8.73 2nxhG1 PHE 3158 HA -0.03 0.06 0.74 -0.75 4.62 4.64 2nxhG1 PHE 3158 HB2 -0.02 -0.00 -0.15 -0.04 3.15 2.93 2nxhG1 PHE 3158 HB3 -0.01 -0.01 -0.13 -0.04 3.06 2.88 2nxhG1 PHE 3158 HD2 -0.02 0.03 -0.05 -0.04 7.28 7.20 2nxhG1 PHE 3158 HE2 -0.02 -0.01 -0.05 -0.04 7.38 7.27 2nxhG1 PHE 3158 HZ -0.02 -0.01 -0.04 -0.04 7.32 7.21 2nxhG1 GLY 3159 H -0.19 0.10 -0.02 -0.55 8.43 7.78 2nxhG1 GLY 3159 HA2 -0.39 -0.01 0.30 -0.51 4.01 3.40 2nxhG1 GLY 3159 HA3 -0.35 0.13 0.54 -0.51 4.01 3.83 2nxhG1 TYR 3160 H -0.14 0.12 0.13 -0.55 8.29 7.85 2nxhG1 TYR 3160 HA -0.00 0.10 0.74 -0.75 4.56 4.65 2nxhG1 TYR 3160 HB2 -0.02 0.02 0.09 -0.04 3.06 3.11 2nxhG1 TYR 3160 HB3 -0.00 0.04 0.01 -0.04 2.98 2.98 2nxhG1 TYR 3160 HD2 -0.02 0.03 -0.03 -0.04 7.15 7.10 2nxhG1 TYR 3160 HE2 -0.02 0.01 -0.03 -0.04 6.85 6.77 2nxhG1 ASN 3161 H 0.16 0.08 0.11 -0.55 8.53 8.33 2nxhG1 ASN 3161 HA 0.09 0.06 0.29 -0.75 4.76 4.45 2nxhG1 ASN 3161 HB2 0.08 0.09 -0.08 -0.04 2.88 2.93 2nxhG1 ASN 3161 HB3 0.06 -0.05 0.01 -0.04 2.79 2.78 2nxhG1 ASN 3161 HD21 0.01 -0.10 -0.01 -0.04 7.03 6.89 2nxhG1 ASN 3161 HD22 0.05 0.65 0.07 -0.04 7.74 8.47 2nxhG1 ASN 3162 H 0.10 0.18 -0.29 -0.55 8.53 7.98 2nxhG1 ASN 3162 HA 0.09 0.07 0.58 -0.75 4.76 4.75 2nxhG1 ASN 3162 HB2 0.09 0.10 -0.34 -0.04 2.88 2.68 2nxhG1 ASN 3162 HB3 0.13 0.27 -0.11 -0.04 2.79 3.04 2nxhG1 ASN 3162 HD21 0.15 -0.06 -0.01 -0.04 7.03 7.07 2nxhG1 ASN 3162 HD22 0.16 -0.01 -0.04 -0.04 7.74 7.81 2nxhG1 LEU 3163 H 0.09 0.29 0.17 -0.55 8.37 8.37 2nxhG1 LEU 3163 HA 0.09 0.31 0.96 -0.75 4.35 4.97 2nxhG1 LEU 3163 HB2 0.03 0.15 0.02 -0.04 1.64 1.80 2nxhG1 LEU 3163 HB3 0.01 -0.13 0.03 -0.04 1.64 1.50 2nxhG1 LEU 3163 HG 0.06 -0.06 -0.29 -0.04 1.64 1.31 2nxhG1 LEU 3163 HD13 0.02 0.02 -0.06 -0.04 0.93 0.87 2nxhG1 LEU 3163 HD23 0.06 -0.00 -0.29 -0.04 0.89 0.62 2nxhG1 VAL 3164 H -0.01 0.50 0.34 -0.55 8.24 8.53 2nxhG1 VAL 3164 HA -0.12 0.22 0.95 -0.75 4.13 4.43 2nxhG1 VAL 3164 HB -0.51 0.05 -0.08 -0.04 2.12 1.53 2nxhG1 VAL 3164 HG13 -0.22 0.01 -0.13 -0.04 0.97 0.59 2nxhG1 VAL 3164 HG23 -0.33 0.01 -0.05 -0.04 0.95 0.54 2nxhG1 VAL 3165 H -0.14 0.24 0.14 -0.55 8.24 7.93 2nxhG1 VAL 3165 HA -0.22 0.09 0.95 -0.75 4.13 4.19 2nxhG1 VAL 3165 HB -0.33 0.04 0.12 -0.04 2.12 1.90 2nxhG1 VAL 3165 HG13 -1.13 -0.02 -0.23 -0.04 0.97 -0.46 2nxhG1 VAL 3165 HG23 -0.01 0.02 -0.13 -0.04 0.95 0.79 2nxhG1 ASP 3166 H -0.22 0.22 0.05 -0.55 8.40 7.90 2nxhG1 ASP 3166 HA -0.09 0.19 0.77 -0.75 4.63 4.73 2nxhG1 ASP 3166 HB2 -0.10 0.10 0.03 -0.04 2.71 2.69 2nxhG1 ASP 3166 HB3 -0.12 0.00 0.22 -0.04 2.70 2.76 2nxhG1 PHE 3167 H 0.07 0.34 0.01 -0.55 8.34 8.20 2nxhG1 PHE 3167 HA -0.07 0.04 0.32 -0.75 4.62 4.15 2nxhG1 PHE 3167 HB2 -0.07 0.03 0.06 -0.04 3.15 3.13 2nxhG1 PHE 3167 HB3 -0.09 0.10 0.08 -0.04 3.06 3.11 2nxhG1 PHE 3167 HD2 -0.14 0.04 -0.00 -0.04 7.28 7.14 2nxhG1 PHE 3167 HE2 -0.38 0.02 -0.01 -0.04 7.38 6.97 2nxhG1 PHE 3167 HZ -0.26 0.03 0.03 -0.04 7.32 7.08 2nxhG1 ARG 3168 H 0.03 0.03 -0.58 -0.55 8.46 7.38 2nxhG1 ARG 3168 HA 0.04 0.16 0.44 -0.75 4.34 4.23 2nxhG1 ARG 3168 HB2 0.05 -0.03 0.00 -0.04 1.90 1.88 2nxhG1 ARG 3168 HB3 0.08 0.03 0.04 -0.04 1.80 1.91 2nxhG1 ARG 3168 HG2 0.05 0.08 0.02 -0.04 1.67 1.77 2nxhG1 ARG 3168 HG3 0.05 -0.07 -0.00 -0.04 1.67 1.60 2nxhG1 ARG 3168 HD2 0.09 0.02 0.00 -0.04 3.22 3.29 2nxhG1 ARG 3168 HD3 0.05 0.03 0.00 -0.04 3.22 3.26 2nxhG1 SER 3169 H -0.04 0.53 -0.19 -0.55 8.46 8.21 2nxhG1 SER 3169 HA -0.03 -0.01 0.39 -0.75 4.49 4.08 2nxhG1 SER 3169 HB2 -0.09 -0.04 0.07 -0.04 3.95 3.84 2nxhG1 SER 3169 HB3 -0.12 0.00 0.14 -0.04 3.93 3.92 2nxhG1 LEU 3170 H -0.01 0.27 -0.32 -0.55 8.37 7.76 2nxhG1 LEU 3170 HA -0.03 -0.03 0.38 -0.75 4.35 3.91 2nxhG1 LEU 3170 HB2 0.04 0.16 0.15 -0.04 1.64 1.95 2nxhG1 LEU 3170 HB3 -0.03 0.27 -0.02 -0.04 1.64 1.81 2nxhG1 LEU 3170 HG 0.02 0.01 -0.02 -0.04 1.64 1.61 2nxhG1 LEU 3170 HD13 0.03 -0.06 -0.08 -0.04 0.93 0.78 2nxhG1 LEU 3170 HD23 0.11 0.01 -0.06 -0.04 0.89 0.91 2nxhG1 PRO 3171 HA -0.11 0.14 0.48 -0.51 4.44 4.45 2nxhG1 PRO 3171 HB2 -0.05 -0.00 -0.03 -0.04 2.28 2.16 2nxhG1 PRO 3171 HB3 -0.05 0.10 0.08 -0.04 2.02 2.10 2nxhG1 PRO 3171 HG2 -0.01 0.11 0.13 -0.04 2.03 2.22 2nxhG1 PRO 3171 HG3 -0.01 -0.00 0.08 -0.04 2.03 2.06 2nxhG1 PRO 3171 HD2 -0.00 0.06 -0.03 -0.04 3.68 3.67 2nxhG1 PRO 3171 HD3 -0.03 0.18 0.08 -0.04 3.65 3.85 2nxhG1 ILE 3172 H -0.06 0.36 -0.26 -0.55 8.25 7.74 2nxhG1 ILE 3172 HA -0.16 0.07 0.35 -0.75 4.18 3.68 2nxhG1 ILE 3172 HB 0.01 -0.03 0.11 -0.04 1.89 1.94 2nxhG1 ILE 3172 HG12 0.11 -0.00 -0.00 -0.04 1.49 1.56 2nxhG1 ILE 3172 HG13 0.06 0.29 0.08 -0.04 1.21 1.59 2nxhG1 ILE 3172 HG23 0.22 -0.03 -0.26 -0.04 0.93 0.82 2nxhG1 ILE 3172 HD13 0.37 -0.06 -0.08 -0.04 0.88 1.07 2nxhG1 MET 3173 H -0.14 0.74 0.00 -0.55 8.47 8.53 2nxhG1 MET 3173 HA -0.51 -0.01 0.39 -0.75 4.52 3.63 2nxhG1 MET 3173 HB2 -0.08 0.13 0.05 -0.04 2.15 2.22 2nxhG1 MET 3173 HB3 0.01 -0.06 -0.02 -0.04 2.03 1.93 2nxhG1 MET 3173 HG2 0.19 0.03 0.03 -0.04 2.63 2.84 2nxhG1 MET 3173 HG3 -0.01 0.07 0.10 -0.04 2.56 2.67 2nxhG1 MET 3173 HE3 -0.03 0.03 -0.21 -0.04 2.10 1.84 2nxhG1 LYS 3174 H -0.25 0.39 -0.45 -0.55 8.42 7.56 2nxhG1 LYS 3174 HA -0.17 0.18 0.44 -0.75 4.32 4.02 2nxhG1 LYS 3174 HB2 -0.13 0.09 0.16 -0.04 1.87 1.95 2nxhG1 LYS 3174 HB3 -0.17 0.15 0.11 -0.04 1.79 1.85 2nxhG1 LYS 3174 HG2 -0.09 0.02 0.01 -0.04 1.46 1.36 2nxhG1 LYS 3174 HG3 -0.11 -0.05 -0.00 -0.04 1.46 1.27 2nxhG1 LYS 3174 HD2 -0.09 0.16 0.20 -0.04 1.69 1.92 2nxhG1 LYS 3174 HD3 -0.07 -0.13 0.12 -0.04 1.68 1.56 2nxhG1 LYS 3174 HE2 -0.03 0.03 -0.01 -0.04 2.99 2.94 2nxhG1 LYS 3174 HE3 -0.04 -0.01 0.02 -0.04 2.99 2.91 2nxhG1 GLN 3175 H -0.72 0.37 -0.66 -0.55 8.47 6.91 2nxhG1 GLN 3175 HA -0.23 0.02 0.45 -0.75 4.36 3.85 2nxhG1 GLN 3175 HB2 -1.49 0.05 0.09 -0.04 2.15 0.75 2nxhG1 GLN 3175 HB3 -0.27 -0.09 0.07 -0.04 2.02 1.69 2nxhG1 GLN 3175 HG2 -0.21 -0.05 0.05 -0.04 2.40 2.15 2nxhG1 GLN 3175 HG3 -0.41 0.23 0.14 -0.04 2.39 2.30 2nxhG1 GLN 3175 HE21 0.02 -0.09 0.01 -0.04 6.97 6.88 2nxhG1 GLN 3175 HE22 -0.05 0.03 0.03 -0.04 7.69 7.66 2nxhG1 TRP 3176 H -0.77 0.46 -0.14 -0.55 7.97 6.97 2nxhG1 TRP 3176 HA -0.00 0.26 1.04 -0.75 4.62 5.16 2nxhG1 TRP 3176 HB2 0.00 -0.05 0.08 -0.04 3.23 3.23 2nxhG1 TRP 3176 HB3 0.01 -0.00 -0.01 -0.04 3.23 3.19 2nxhG1 TRP 3176 HD1 -0.01 0.02 -0.17 -0.04 7.22 7.03 2nxhG1 TRP 3176 HE1 -0.00 -0.08 -0.12 -0.04 10.20 9.96 2nxhG1 TRP 3176 HE3 0.03 0.07 -0.14 -0.04 7.59 7.51 2nxhG1 TRP 3176 HZ2 0.09 -0.06 -0.09 -0.04 7.44 7.35 2nxhG1 TRP 3176 HZ3 0.06 -0.01 -0.01 -0.04 7.13 7.13 2nxhG1 TRP 3176 HH2 0.16 -0.09 0.02 -0.04 7.19 7.23 2nxhG1 ALA 3177 H -0.07 0.39 0.05 -0.55 8.40 8.23 2nxhG1 ALA 3177 HA -0.00 0.09 0.44 -0.75 4.34 4.11 2nxhG1 ALA 3177 HB3 0.09 0.04 -0.19 -0.04 1.41 1.31 2nxhG1 LYS 3178 H -0.15 0.38 0.27 -0.55 8.42 8.36 2nxhG1 LYS 3178 HA -0.05 0.09 0.60 -0.75 4.32 4.21 2nxhG1 LYS 3178 HB2 -0.37 0.01 0.15 -0.04 1.87 1.61 2nxhG1 LYS 3178 HB3 0.02 -0.01 0.03 -0.04 1.79 1.79 2nxhG1 LYS 3178 HG2 -0.08 0.04 0.05 -0.04 1.46 1.42 2nxhG1 LYS 3178 HG3 -0.20 0.01 0.11 -0.04 1.46 1.33 2nxhG1 LYS 3178 HD2 -0.57 -0.04 -0.02 -0.04 1.69 1.02 2nxhG1 LYS 3178 HD3 -0.04 0.04 -0.01 -0.04 1.68 1.64 2nxhG1 LYS 3178 HE2 -0.05 0.03 0.01 -0.04 2.99 2.93 2nxhG1 LYS 3178 HE3 -0.14 -0.01 0.02 -0.04 2.99 2.83 2nxhG1 VAL 3179 H -0.00 0.15 0.26 -0.55 8.24 8.09 2nxhG1 VAL 3179 HA 0.04 0.28 1.11 -0.75 4.13 4.81 2nxhG1 VAL 3179 HB -0.02 -0.04 0.21 -0.04 2.12 2.23 2nxhG1 VAL 3179 HG13 0.01 -0.02 -0.14 -0.04 0.97 0.78 2nxhG1 VAL 3179 HG23 -0.06 0.09 -0.17 -0.04 0.95 0.77 2nxhG1 ILE 3180 H 0.04 0.74 0.39 -0.55 8.25 8.87 2nxhG1 ILE 3180 HA 0.01 0.29 0.84 -0.75 4.18 4.57 2nxhG1 ILE 3180 HB -0.02 -0.07 -0.14 -0.04 1.89 1.62 2nxhG1 ILE 3180 HG12 0.10 0.02 -0.36 -0.04 1.49 1.21 2nxhG1 ILE 3180 HG13 -0.12 -0.02 -0.31 -0.04 1.21 0.72 2nxhG1 ILE 3180 HG23 0.02 -0.03 -0.49 -0.04 0.93 0.39 2nxhG1 ILE 3180 HD13 -0.09 0.04 -0.38 -0.04 0.88 0.42 2nxhG1 TYR 3181 H 0.15 0.61 0.31 -0.55 8.29 8.81 2nxhG1 TYR 3181 HA -0.02 0.11 1.05 -0.75 4.56 4.95 2nxhG1 TYR 3181 HB2 0.07 0.05 0.02 -0.04 3.06 3.16 2nxhG1 TYR 3181 HB3 0.10 0.05 0.21 -0.04 2.98 3.31 2nxhG1 TYR 3181 HD2 0.04 -0.03 -0.05 -0.04 7.15 7.07 2nxhG1 TYR 3181 HE2 -0.01 -0.05 -0.20 -0.04 6.85 6.56 2nxhG1 ASP 3182 H -0.41 0.80 0.25 -0.55 8.40 8.50 2nxhG1 ASP 3182 HA -0.10 0.08 0.69 -0.75 4.63 4.54 2nxhG1 ASP 3182 HB2 -0.45 0.02 -0.03 -0.04 2.71 2.22 2nxhG1 ASP 3182 HB3 -0.33 0.09 0.30 -0.04 2.70 2.71 2nxhG1 ALA 3183 H -0.10 0.60 0.35 -0.55 8.40 8.71 2nxhG1 ALA 3183 HA -0.26 0.09 0.37 -0.75 4.34 3.79 2nxhG1 ALA 3183 HB3 0.16 0.03 0.09 -0.04 1.41 1.66 2nxhG1 THR 3184 H 0.03 0.08 -0.13 -0.55 8.28 7.71 2nxhG1 THR 3184 HA -0.01 0.28 0.76 -0.75 4.39 4.67 2nxhG1 THR 3184 HB -0.12 0.09 -0.05 -0.04 4.32 4.20 2nxhG1 THR 3184 HG23 -0.00 0.00 0.12 -0.04 1.22 1.30 2nxhG1 HIS 3185 H 0.01 0.07 -0.06 -0.55 8.41 7.88 2nxhG1 HIS 3185 HA -0.03 0.11 0.51 -0.75 4.63 4.46 2nxhG1 HIS 3185 HB2 -0.19 0.02 0.05 -0.04 3.26 3.10 2nxhG1 HIS 3185 HB3 -0.12 0.08 0.02 -0.04 3.20 3.13 2nxhG1 HIS 3185 HD2 -0.06 0.00 -0.05 -0.04 6.97 6.82 2nxhG1 HIS 3185 HE1 0.16 0.03 -0.11 -0.04 7.75 7.79 2nxhG1 SER 3186 H -0.07 0.23 -0.34 -0.55 8.46 7.73 2nxhG1 SER 3186 HA -0.03 0.21 0.04 -0.75 4.49 3.96 2nxhG1 SER 3186 HB2 -0.04 0.10 -0.08 -0.04 3.95 3.90 2nxhG1 SER 3186 HB3 0.06 -0.06 -0.17 -0.04 3.93 3.73 2nxhG1 VAL 3187 H 0.04 0.18 -0.66 -0.55 8.24 7.24 2nxhG1 VAL 3187 HA 0.08 0.26 0.85 -0.75 4.13 4.56 2nxhG1 VAL 3187 HB 0.19 -0.06 0.15 -0.04 2.12 2.36 2nxhG1 VAL 3187 HG13 0.17 -0.00 -0.24 -0.04 0.97 0.86 2nxhG1 VAL 3187 HG23 0.08 -0.01 -0.12 -0.04 0.95 0.86 2nxhG1 GLN 3188 H 0.04 0.41 -0.33 -0.55 8.47 8.05 2nxhG1 GLN 3188 HA 0.04 0.03 0.68 -0.75 4.36 4.35 2nxhG1 GLN 3188 HB2 0.03 0.02 0.04 -0.04 2.15 2.20 2nxhG1 GLN 3188 HB3 0.02 -0.02 0.12 -0.04 2.02 2.10 2nxhG1 GLN 3188 HG2 0.05 0.17 -0.07 -0.04 2.40 2.52 2nxhG1 GLN 3188 HG3 0.06 -0.12 -0.50 -0.04 2.39 1.79 2nxhG1 GLN 3188 HE21 0.17 -0.08 -0.06 -0.04 6.97 6.97 2nxhG1 GLN 3188 HE22 0.08 0.01 -0.08 -0.04 7.69 7.65 2nxhG1 LEU 3189 H 0.05 0.43 -0.50 -0.55 8.37 7.81 2nxhG1 LEU 3189 HA 0.07 0.30 0.68 -0.75 4.35 4.64 2nxhG1 LEU 3189 HB2 0.05 -0.34 0.07 -0.04 1.64 1.39 2nxhG1 LEU 3189 HB3 0.06 0.26 0.04 -0.04 1.64 1.97 2nxhG1 LEU 3189 HG 0.08 -0.08 -0.25 -0.04 1.64 1.34 2nxhG1 LEU 3189 HD13 0.07 -0.01 0.00 -0.04 0.93 0.95 2nxhG1 LEU 3189 HD23 0.08 0.09 -0.07 -0.04 0.89 0.95 2nxhG1 PRO 3190 HA 0.08 -0.09 0.33 -0.51 4.44 4.25 2nxhG1 PRO 3190 HB2 0.10 -0.05 0.04 -0.04 2.28 2.33 2nxhG1 PRO 3190 HB3 0.12 0.03 -0.00 -0.04 2.02 2.13 2nxhG1 PRO 3190 HG2 0.10 0.08 -0.13 -0.04 2.03 2.04 2nxhG1 PRO 3190 HG3 0.09 0.03 -0.09 -0.04 2.03 2.01 2nxhG1 PRO 3190 HD2 0.08 0.06 -0.32 -0.04 3.68 3.46 2nxhG1 PRO 3190 HD3 0.07 0.54 -0.19 -0.04 3.65 4.03 2nxhG1 GLY 3191 H 0.06 0.03 0.12 -0.55 8.43 8.10 2nxhG1 GLY 3191 HA2 0.04 0.07 0.16 -0.51 4.01 3.77 2nxhG1 GLY 3191 HA3 0.03 0.07 0.35 -0.51 4.01 3.95 2nxhG1 GLY 3192 H 0.04 0.17 -0.05 -0.55 8.43 8.05 2nxhG1 GLY 3192 HA2 0.04 0.17 0.47 -0.51 4.01 4.18 2nxhG1 GLY 3192 HA3 0.04 -0.03 0.33 -0.51 4.01 3.84 2nxhG1 LEU 3193 H 0.03 0.26 -0.08 -0.55 8.37 8.03 2nxhG1 LEU 3193 HA 0.02 0.23 0.77 -0.75 4.35 4.62 2nxhG1 LEU 3193 HB2 0.02 -0.03 -0.30 -0.04 1.64 1.29 2nxhG1 LEU 3193 HB3 0.02 -0.04 0.12 -0.04 1.64 1.69 2nxhG1 LEU 3193 HG 0.02 0.06 -0.03 -0.04 1.64 1.65 2nxhG1 LEU 3193 HD13 0.03 0.01 -0.30 -0.04 0.93 0.62 2nxhG1 LEU 3193 HD23 0.01 0.02 -0.09 -0.04 0.89 0.79 2nxhG1 GLY 3194 H 0.02 0.35 -0.58 -0.55 8.43 7.67 2nxhG1 GLY 3194 HA2 0.01 0.10 0.31 -0.51 4.01 3.92 2nxhG1 GLY 3194 HA3 0.01 0.05 0.55 -0.51 4.01 4.12 2nxhG1 ASP 3195 H 0.02 0.28 0.22 -0.55 8.40 8.37 2nxhG1 ASP 3195 HA 0.01 0.12 0.50 -0.75 4.63 4.51 2nxhG1 ASP 3195 HB2 0.04 -0.10 0.12 -0.04 2.71 2.73 2nxhG1 ASP 3195 HB3 0.03 0.03 0.10 -0.04 2.70 2.82 2nxhG1 LYS 3196 H 0.02 0.24 -0.59 -0.55 8.42 7.55 2nxhG1 LYS 3196 HA 0.03 0.10 0.76 -0.75 4.32 4.45 2nxhG1 LYS 3196 HB2 0.02 0.06 -0.09 -0.04 1.87 1.83 2nxhG1 LYS 3196 HB3 0.03 -0.05 0.12 -0.04 1.79 1.85 2nxhG1 LYS 3196 HG2 0.04 0.03 -0.07 -0.04 1.46 1.42 2nxhG1 LYS 3196 HG3 0.03 -0.06 -0.35 -0.04 1.46 1.04 2nxhG1 LYS 3196 HD2 0.02 0.04 -0.04 -0.04 1.69 1.67 2nxhG1 LYS 3196 HD3 0.03 -0.04 -0.01 -0.04 1.68 1.62 2nxhG1 LYS 3196 HE2 0.03 0.00 -0.05 -0.04 2.99 2.93 2nxhG1 LYS 3196 HE3 0.02 0.05 -0.02 -0.04 2.99 3.00 2nxhG1 SER 3197 H 0.04 0.13 0.16 -0.55 8.46 8.24 2nxhG1 SER 3197 HA 0.04 -0.02 0.95 -0.75 4.49 4.70 2nxhG1 SER 3197 HB2 0.05 -0.02 0.07 -0.04 3.95 4.01 2nxhG1 SER 3197 HB3 0.05 0.18 -0.12 -0.04 3.93 3.99 2nxhG1 GLY 3198 H 0.04 0.44 0.25 -0.55 8.43 8.62 2nxhG1 GLY 3198 HA2 0.02 0.19 0.75 -0.51 4.01 4.46 2nxhG1 GLY 3198 HA3 0.03 0.09 0.40 -0.51 4.01 4.02 2nxhG1 GLY 3199 H 0.04 0.36 0.25 -0.55 8.43 8.53 2nxhG1 GLY 3199 HA2 0.06 0.20 0.46 -0.51 4.01 4.23 2nxhG1 GLY 3199 HA3 0.03 0.08 0.37 -0.51 4.01 3.99 2nxhG1 MET 3200 H 0.09 0.43 0.07 -0.55 8.47 8.51 2nxhG1 MET 3200 HA 0.02 0.11 0.90 -0.75 4.52 4.79 2nxhG1 MET 3200 HB2 0.37 0.08 0.19 -0.04 2.15 2.75 2nxhG1 MET 3200 HB3 0.07 -0.10 0.11 -0.04 2.03 2.07 2nxhG1 MET 3200 HG2 0.11 0.02 0.03 -0.04 2.63 2.75 2nxhG1 MET 3200 HG3 0.13 -0.04 -0.55 -0.04 2.56 2.06 2nxhG1 MET 3200 HE3 0.13 0.02 -0.05 -0.04 2.10 2.15 2nxhG1 ARG 3201 H -0.01 0.27 0.11 -0.55 8.46 8.28 2nxhG1 ARG 3201 HA 0.02 0.11 0.44 -0.75 4.34 4.16 2nxhG1 ARG 3201 HB2 -0.01 0.21 0.11 -0.04 1.90 2.16 2nxhG1 ARG 3201 HB3 -0.03 -0.04 0.08 -0.04 1.80 1.77 2nxhG1 ARG 3201 HG2 -0.01 -0.06 -0.07 -0.04 1.67 1.48 2nxhG1 ARG 3201 HG3 -0.00 0.04 0.03 -0.04 1.67 1.70 2nxhG1 ARG 3201 HD2 -0.02 -0.05 -0.02 -0.04 3.22 3.09 2nxhG1 ARG 3201 HD3 -0.02 -0.04 0.01 -0.04 3.22 3.14 2nxhG1 GLU 3202 H -0.18 0.09 -0.21 -0.55 8.60 7.76 2nxhG1 GLU 3202 HA -0.10 0.08 0.44 -0.75 4.29 3.96 2nxhG1 GLU 3202 HB2 -0.33 0.04 0.09 -0.04 2.09 1.85 2nxhG1 GLU 3202 HB3 -0.22 0.00 0.10 -0.04 1.99 1.83 2nxhG1 GLU 3202 HG2 -1.41 0.04 -0.10 -0.04 2.34 0.83 2nxhG1 GLU 3202 HG3 -0.83 0.04 -0.03 -0.04 2.34 1.48 2nxhG1 PHE 3203 H -0.09 0.41 -0.35 -0.55 8.34 7.75 2nxhG1 PHE 3203 HA 0.06 0.16 0.80 -0.75 4.62 4.89 2nxhG1 PHE 3203 HB2 0.06 0.15 0.09 -0.04 3.15 3.42 2nxhG1 PHE 3203 HB3 0.07 -0.04 0.13 -0.04 3.06 3.19 2nxhG1 PHE 3203 HD2 0.04 0.04 0.01 -0.04 7.28 7.33 2nxhG1 PHE 3203 HE2 0.03 0.01 -0.02 -0.04 7.38 7.36 2nxhG1 PHE 3203 HZ 0.03 0.01 -0.01 -0.04 7.32 7.30 2nxhG1 ILE 3204 H 0.12 0.40 -0.20 -0.55 8.25 8.02 2nxhG1 ILE 3204 HA 0.20 0.13 0.42 -0.75 4.18 4.17 2nxhG1 ILE 3204 HB 0.10 0.04 0.18 -0.04 1.89 2.16 2nxhG1 ILE 3204 HG12 0.08 0.11 0.08 -0.04 1.49 1.72 2nxhG1 ILE 3204 HG13 0.08 -0.04 0.16 -0.04 1.21 1.37 2nxhG1 ILE 3204 HG23 0.11 0.00 -0.18 -0.04 0.93 0.82 2nxhG1 ILE 3204 HD13 0.02 -0.02 0.04 -0.04 0.88 0.88 2nxhG1 PHE 3205 H 0.26 0.20 -0.05 -0.55 8.34 8.19 2nxhG1 PHE 3205 HA 0.07 0.05 0.41 -0.75 4.62 4.39 2nxhG1 PHE 3205 HB2 0.03 -0.00 0.10 -0.04 3.15 3.24 2nxhG1 PHE 3205 HB3 0.03 0.09 0.09 -0.04 3.06 3.23 2nxhG1 PHE 3205 HD2 0.03 -0.01 0.04 -0.04 7.28 7.30 2nxhG1 PHE 3205 HE2 0.01 0.03 -0.03 -0.04 7.38 7.34 2nxhG1 PHE 3205 HZ 0.00 0.02 -0.04 -0.04 7.32 7.26 2nxhG1 PRO 3206 HA -0.19 0.05 0.46 -0.51 4.44 4.26 2nxhG1 PRO 3206 HB2 0.05 0.04 -0.01 -0.04 2.28 2.32 2nxhG1 PRO 3206 HB3 -0.02 0.03 0.10 -0.04 2.02 2.09 2nxhG1 PRO 3206 HG2 0.23 0.12 0.07 -0.04 2.03 2.40 2nxhG1 PRO 3206 HG3 0.17 0.12 0.13 -0.04 2.03 2.41 2nxhG1 PRO 3206 HD2 0.20 -0.06 -0.16 -0.04 3.68 3.62 2nxhG1 PRO 3206 HD3 0.09 0.12 0.10 -0.04 3.65 3.92 2nxhG1 LEU 3207 H 0.17 0.51 -0.28 -0.55 8.37 8.22 2nxhG1 LEU 3207 HA 0.05 0.02 0.49 -0.75 4.35 4.16 2nxhG1 LEU 3207 HB2 0.30 0.20 0.12 -0.04 1.64 2.21 2nxhG1 LEU 3207 HB3 0.34 -0.09 0.02 -0.04 1.64 1.87 2nxhG1 LEU 3207 HG 0.18 0.13 0.09 -0.04 1.64 1.99 2nxhG1 LEU 3207 HD13 0.16 -0.02 -0.04 -0.04 0.93 0.99 2nxhG1 LEU 3207 HD23 0.19 -0.02 -0.01 -0.04 0.89 1.00 2nxhG1 ILE 3208 H 0.21 0.42 -0.24 -0.55 8.25 8.09 2nxhG1 ILE 3208 HA 0.24 -0.01 0.44 -0.75 4.18 4.09 2nxhG1 ILE 3208 HB 0.33 0.17 0.20 -0.04 1.89 2.55 2nxhG1 ILE 3208 HG12 0.36 -0.10 0.03 -0.04 1.49 1.74 2nxhG1 ILE 3208 HG13 0.31 0.40 0.12 -0.04 1.21 2.01 2nxhG1 ILE 3208 HG23 0.21 -0.02 -0.16 -0.04 0.93 0.92 2nxhG1 ILE 3208 HD13 0.18 -0.04 -0.09 -0.04 0.88 0.89 2nxhG1 ARG 3209 H -0.03 0.49 -0.13 -0.55 8.46 8.24 2nxhG1 ARG 3209 HA -0.05 0.02 0.38 -0.75 4.34 3.94 2nxhG1 ARG 3209 HB2 -0.19 0.16 0.17 -0.04 1.90 2.01 2nxhG1 ARG 3209 HB3 -0.16 -0.02 -0.00 -0.04 1.80 1.58 2nxhG1 ARG 3209 HG2 -0.20 -0.03 -0.03 -0.04 1.67 1.37 2nxhG1 ARG 3209 HG3 -0.58 0.10 -0.03 -0.04 1.67 1.12 2nxhG1 ARG 3209 HD2 -0.22 0.01 -0.02 -0.04 3.22 2.95 2nxhG1 ARG 3209 HD3 -0.52 -0.03 -0.04 -0.04 3.22 2.58 2nxhG1 ALA 3210 H -0.17 0.46 -0.20 -0.55 8.40 7.95 2nxhG1 ALA 3210 HA -0.32 0.02 0.36 -0.75 4.34 3.65 2nxhG1 ALA 3210 HB3 -0.69 0.04 0.12 -0.04 1.41 0.84 2nxhG1 ALA 3211 H -0.24 0.58 -0.15 -0.55 8.40 8.04 2nxhG1 ALA 3211 HA -0.07 -0.03 0.31 -0.75 4.34 3.79 2nxhG1 ALA 3211 HB3 -0.23 0.02 0.08 -0.04 1.41 1.24 2nxhG1 VAL 3212 H -0.02 0.50 -0.18 -0.55 8.24 7.98 2nxhG1 VAL 3212 HA 0.07 -0.00 0.45 -0.75 4.13 3.90 2nxhG1 VAL 3212 HB -0.03 0.01 0.03 -0.04 2.12 2.09 2nxhG1 VAL 3212 HG13 0.04 0.03 0.01 -0.04 0.97 1.01 2nxhG1 VAL 3212 HG23 -0.03 0.03 0.02 -0.04 0.95 0.93 2nxhG1 ALA 3213 H -0.07 0.54 -0.16 -0.55 8.40 8.16 2nxhG1 ALA 3213 HA 0.07 0.00 0.35 -0.75 4.34 4.00 2nxhG1 ALA 3213 HB3 -0.08 -0.01 0.09 -0.04 1.41 1.37 2nxhG1 VAL 3214 H -0.12 0.57 -0.11 -0.55 8.24 8.03 2nxhG1 VAL 3214 HA -0.05 -0.03 0.38 -0.75 4.13 3.68 2nxhG1 VAL 3214 HB -0.08 0.07 0.10 -0.04 2.12 2.17 2nxhG1 VAL 3214 HG13 -0.03 0.01 -0.10 -0.04 0.97 0.82 2nxhG1 VAL 3214 HG23 -0.20 -0.02 0.01 -0.04 0.95 0.70 2nxhG1 GLY 3215 H -0.12 0.43 -0.19 -0.55 8.43 8.00 2nxhG1 GLY 3215 HA2 -0.73 0.05 0.34 -0.51 4.01 3.16 2nxhG1 GLY 3215 HA3 -0.95 0.18 0.89 -0.51 4.01 3.62 2nxhG1 CYS 3216 H -0.01 0.30 0.24 -0.55 8.50 8.47 2nxhG1 CYS 3216 HA -0.04 0.13 0.67 -0.75 4.58 4.58 2nxhG1 CYS 3216 HB2 0.06 0.07 0.11 -0.04 2.97 3.17 2nxhG1 CYS 3216 HB3 0.04 0.03 -0.13 -0.04 2.97 2.87 2nxhG1 ASP 3217 H -0.00 0.45 0.38 -0.55 8.40 8.68 2nxhG1 ASP 3217 HA 0.01 0.20 0.75 -0.75 4.63 4.84 2nxhG1 ASP 3217 HB2 0.02 -0.03 0.06 -0.04 2.71 2.72 2nxhG1 ASP 3217 HB3 0.00 0.06 0.16 -0.04 2.70 2.88 2nxhG1 GLY 3218 H -0.14 0.23 0.07 -0.55 8.43 8.04 2nxhG1 GLY 3218 HA2 -1.72 0.14 0.52 -0.51 4.01 2.44 2nxhG1 GLY 3218 HA3 -0.47 0.03 0.44 -0.51 4.01 3.50 2nxhG1 VAL 3219 H -0.18 0.69 0.36 -0.55 8.24 8.56 2nxhG1 VAL 3219 HA 0.14 0.09 1.04 -0.75 4.13 4.65 2nxhG1 VAL 3219 HB 0.21 -0.02 0.04 -0.04 2.12 2.32 2nxhG1 VAL 3219 HG13 0.43 -0.00 -0.17 -0.04 0.97 1.19 2nxhG1 VAL 3219 HG23 0.24 0.02 0.02 -0.04 0.95 1.19 2nxhG1 PHE 3220 H 0.15 0.70 0.30 -0.55 8.34 8.94 2nxhG1 PHE 3220 HA -0.07 0.29 0.83 -0.75 4.62 4.93 2nxhG1 PHE 3220 HB2 -0.09 0.03 -0.18 -0.04 3.15 2.86 2nxhG1 PHE 3220 HB3 -0.11 -0.12 0.04 -0.04 3.06 2.83 2nxhG1 PHE 3220 HD2 -0.07 -0.07 -0.29 -0.04 7.28 6.82 2nxhG1 PHE 3220 HE2 0.02 -0.03 -0.21 -0.04 7.38 7.12 2nxhG1 PHE 3220 HZ 0.01 -0.01 -0.20 -0.04 7.32 7.08 2nxhG1 MET 3221 H -0.28 0.92 0.33 -0.55 8.47 8.89 2nxhG1 MET 3221 HA 0.02 -0.02 0.93 -0.75 4.52 4.69 2nxhG1 MET 3221 HB2 -0.06 0.04 0.05 -0.04 2.15 2.14 2nxhG1 MET 3221 HB3 -0.03 0.04 -0.07 -0.04 2.03 1.93 2nxhG1 MET 3221 HG2 0.06 -0.01 -0.13 -0.04 2.63 2.51 2nxhG1 MET 3221 HG3 0.05 -0.01 -0.48 -0.04 2.56 2.07 2nxhG1 MET 3221 HE3 0.02 0.02 -0.12 -0.04 2.10 1.98 2nxhG1 GLU 3222 H -0.05 0.07 0.12 -0.55 8.60 8.20 2nxhG1 GLU 3222 HA -0.20 0.27 0.83 -0.75 4.29 4.44 2nxhG1 GLU 3222 HB2 -0.06 -0.04 0.04 -0.04 2.09 1.99 2nxhG1 GLU 3222 HB3 -0.05 -0.00 0.07 -0.04 1.99 1.96 2nxhG1 GLU 3222 HG2 -0.14 0.13 -0.20 -0.04 2.34 2.08 2nxhG1 GLU 3222 HG3 0.13 -0.12 -0.11 -0.04 2.34 2.20 2nxhG1 THR 3223 H -0.10 0.60 0.21 -0.55 8.28 8.44 2nxhG1 THR 3223 HA -0.01 0.13 0.88 -0.75 4.39 4.63 2nxhG1 THR 3223 HB -0.05 0.04 -0.24 -0.04 4.32 4.03 2nxhG1 THR 3223 HG23 -0.08 -0.02 -0.16 -0.04 1.22 0.92 2nxhG1 HIS 3224 H 0.05 0.61 0.13 -0.55 8.41 8.65 2nxhG1 HIS 3224 HA -0.02 0.14 0.54 -0.75 4.63 4.53 2nxhG1 HIS 3224 HB2 -0.03 0.04 -0.33 -0.04 3.26 2.91 2nxhG1 HIS 3224 HB3 -0.02 -0.02 -0.26 -0.04 3.20 2.85 2nxhG1 HIS 3224 HD2 -0.01 -0.06 0.06 -0.04 6.97 6.91 2nxhG1 HIS 3224 HE1 -0.01 0.06 -0.07 -0.04 7.75 7.68 2nxhG1 PRO 3225 HA 0.02 -0.01 0.51 -0.51 4.44 4.45 2nxhG1 PRO 3225 HB2 0.01 0.02 0.05 -0.04 2.28 2.32 2nxhG1 PRO 3225 HB3 -0.01 0.08 0.08 -0.04 2.02 2.14 2nxhG1 PRO 3225 HG2 -0.13 0.07 0.07 -0.04 2.03 1.99 2nxhG1 PRO 3225 HG3 -0.08 0.07 0.04 -0.04 2.03 2.02 2nxhG1 PRO 3225 HD2 -0.86 0.09 0.17 -0.04 3.68 3.03 2nxhG1 PRO 3225 HD3 -0.31 0.16 0.15 -0.04 3.65 3.62 2nxhG1 GLU 3226 H 0.70 0.11 -0.31 -0.55 8.60 8.56 2nxhG1 GLU 3226 HA 0.06 0.26 0.82 -0.75 4.29 4.67 2nxhG1 GLU 3226 HB2 0.11 -0.02 0.10 -0.04 2.09 2.24 2nxhG1 GLU 3226 HB3 0.02 -0.01 0.05 -0.04 1.99 2.01 2nxhG1 GLU 3226 HG2 0.04 0.12 -0.09 -0.04 2.34 2.37 2nxhG1 GLU 3226 HG3 0.07 -0.08 -0.30 -0.04 2.34 1.99 2nxhG1 PRO 3227 HA -0.17 -0.03 0.29 -0.51 4.44 4.02 2nxhG1 PRO 3227 HB2 -0.04 -0.02 0.02 -0.04 2.28 2.20 2nxhG1 PRO 3227 HB3 -0.04 0.27 -0.04 -0.04 2.02 2.17 2nxhG1 PRO 3227 HG2 -0.00 0.06 -0.10 -0.04 2.03 1.95 2nxhG1 PRO 3227 HG3 0.03 0.01 -0.39 -0.04 2.03 1.63 2nxhG1 PRO 3227 HD2 0.01 0.10 0.08 -0.04 3.68 3.83 2nxhG1 PRO 3227 HD3 0.07 0.31 -0.42 -0.04 3.65 3.57 2nxhG1 GLU 3228 H -0.06 0.12 -0.23 -0.55 8.60 7.90 2nxhG1 GLU 3228 HA -0.06 0.07 0.31 -0.75 4.29 3.86 2nxhG1 GLU 3228 HB2 -0.04 0.05 -0.07 -0.04 2.09 1.98 2nxhG1 GLU 3228 HB3 -0.03 0.03 0.05 -0.04 1.99 2.00 2nxhG1 GLU 3228 HG2 -0.02 0.04 0.00 -0.04 2.34 2.32 2nxhG1 GLU 3228 HG3 -0.04 -0.18 -0.12 -0.04 2.34 1.96 2nxhG1 LYS 3229 H -0.16 0.47 -0.47 -0.55 8.42 7.71 2nxhG1 LYS 3229 HA -0.08 0.20 0.80 -0.75 4.32 4.48 2nxhG1 LYS 3229 HB2 -0.07 0.05 0.04 -0.04 1.87 1.85 2nxhG1 LYS 3229 HB3 -0.04 -0.04 0.10 -0.04 1.79 1.77 2nxhG1 LYS 3229 HG2 -0.03 0.05 -0.08 -0.04 1.46 1.36 2nxhG1 LYS 3229 HG3 -0.03 -0.08 -0.12 -0.04 1.46 1.18 2nxhG1 LYS 3229 HD2 0.02 -0.04 -0.02 -0.04 1.69 1.61 2nxhG1 LYS 3229 HD3 0.00 -0.00 -0.01 -0.04 1.68 1.63 2nxhG1 LYS 3229 HE2 -0.00 0.02 -0.04 -0.04 2.99 2.93 2nxhG1 LYS 3229 HE3 0.00 -0.01 -0.04 -0.04 2.99 2.89 2nxhG1 ALA 3230 H -0.32 0.54 -0.11 -0.55 8.40 7.96 2nxhG1 ALA 3230 HA -0.32 -0.05 0.39 -0.75 4.34 3.61 2nxhG1 ALA 3230 HB3 -0.22 -0.02 0.06 -0.04 1.41 1.18 2nxhG1 LEU 3231 H -0.08 0.06 0.17 -0.55 8.37 7.97 2nxhG1 LEU 3231 HA -0.08 0.23 0.60 -0.75 4.35 4.34 2nxhG1 LEU 3231 HB2 -0.37 -0.06 0.02 -0.04 1.64 1.19 2nxhG1 LEU 3231 HB3 -0.39 -0.02 0.16 -0.04 1.64 1.35 2nxhG1 LEU 3231 HG -0.22 -0.04 0.09 -0.04 1.64 1.42 2nxhG1 LEU 3231 HD13 -0.87 -0.01 0.02 -0.04 0.93 0.04 2nxhG1 LEU 3231 HD23 -0.16 0.05 -0.04 -0.04 0.89 0.69 2nxhG1 SER 3232 H -0.00 0.15 -0.35 -0.55 8.46 7.71 2nxhG1 SER 3232 HA 0.05 0.08 0.47 -0.75 4.49 4.34 2nxhG1 SER 3232 HB2 0.08 -0.01 -0.02 -0.04 3.95 3.96 2nxhG1 SER 3232 HB3 0.15 0.24 -0.07 -0.04 3.93 4.21 2nxhG1 ASP 3233 H 0.03 0.17 0.09 -0.55 8.40 8.14 2nxhG1 ASP 3233 HA 0.00 0.10 0.27 -0.75 4.63 4.24 2nxhG1 ASP 3233 HB2 -0.01 0.17 -0.15 -0.04 2.71 2.68 2nxhG1 ASP 3233 HB3 -0.07 -0.01 0.10 -0.04 2.70 2.67 2nxhG1 ALA 3234 H -0.02 0.08 -0.34 -0.55 8.40 7.57 2nxhG1 ALA 3234 HA -0.08 0.05 0.30 -0.75 4.34 3.86 2nxhG1 ALA 3234 HB3 -0.05 0.06 -0.01 -0.04 1.41 1.36 2nxhG1 PRO 3235 HA -0.02 0.10 0.34 -0.51 4.44 4.35 2nxhG1 PRO 3235 HB2 0.01 -0.01 -0.15 -0.04 2.28 2.08 2nxhG1 PRO 3235 HB3 -0.00 0.03 0.04 -0.04 2.02 2.05 2nxhG1 PRO 3235 HG2 -0.00 0.07 -0.30 -0.04 2.03 1.75 2nxhG1 PRO 3235 HG3 0.01 0.17 0.07 -0.04 2.03 2.24 2nxhG1 PRO 3235 HD2 -0.01 -0.16 -0.20 -0.04 3.68 3.27 2nxhG1 PRO 3235 HD3 -0.01 0.14 0.02 -0.04 3.65 3.76 2nxhG1 THR 3236 H -0.04 0.44 -0.64 -0.55 8.28 7.49 2nxhG1 THR 3236 HA -0.02 0.19 0.97 -0.75 4.39 4.77 2nxhG1 THR 3236 HB -0.08 -0.02 -0.01 -0.04 4.32 4.17 2nxhG1 THR 3236 HG23 -0.03 -0.03 -0.28 -0.04 1.22 0.85 2nxhG1 ALA 3237 H -0.04 0.24 0.02 -0.55 8.40 8.07 2nxhG1 ALA 3237 HA -0.03 0.00 0.28 -0.75 4.34 3.83 2nxhG1 ALA 3237 HB3 -0.02 -0.02 -0.04 -0.04 1.41 1.29 2nxhG1 LEU 3238 H -0.02 0.43 0.25 -0.55 8.37 8.48 2nxhG1 LEU 3238 HA -0.02 0.18 0.71 -0.75 4.35 4.47 2nxhG1 LEU 3238 HB2 -0.02 0.09 0.15 -0.04 1.64 1.82 2nxhG1 LEU 3238 HB3 -0.03 -0.07 0.07 -0.04 1.64 1.57 2nxhG1 LEU 3238 HG -0.04 -0.00 -0.12 -0.04 1.64 1.44 2nxhG1 LEU 3238 HD13 -0.02 0.00 0.01 -0.04 0.93 0.88 2nxhG1 LEU 3238 HD23 -0.03 -0.02 -0.10 -0.04 0.89 0.70 2nxhG1 PRO 3239 HA 0.01 0.21 0.51 -0.51 4.44 4.67 2nxhG1 PRO 3239 HB2 -0.02 -0.09 0.12 -0.04 2.28 2.26 2nxhG1 PRO 3239 HB3 -0.00 0.07 0.14 -0.04 2.02 2.19 2nxhG1 PRO 3239 HG2 -0.02 0.05 0.10 -0.04 2.03 2.13 2nxhG1 PRO 3239 HG3 -0.01 0.06 0.11 -0.04 2.03 2.15 2nxhG1 PRO 3239 HD2 -0.02 0.07 0.21 -0.04 3.68 3.89 2nxhG1 PRO 3239 HD3 -0.02 0.31 0.28 -0.04 3.65 4.19 2nxhG1 LEU 3240 H 0.01 0.36 0.15 -0.55 8.37 8.35 2nxhG1 LEU 3240 HA -0.02 0.08 0.31 -0.75 4.35 3.96 2nxhG1 LEU 3240 HB2 -0.02 -0.06 -0.15 -0.04 1.64 1.37 2nxhG1 LEU 3240 HB3 -0.01 0.01 0.04 -0.04 1.64 1.64 2nxhG1 LEU 3240 HG -0.03 0.03 -0.12 -0.04 1.64 1.48 2nxhG1 LEU 3240 HD13 -0.04 0.00 -0.01 -0.04 0.93 0.84 2nxhG1 LEU 3240 HD23 -0.04 0.01 -0.06 -0.04 0.89 0.76 2nxhG1 SER 3241 H -0.01 0.10 -0.26 -0.55 8.46 7.74 2nxhG1 SER 3241 HA -0.01 0.12 0.44 -0.75 4.49 4.29 2nxhG1 SER 3241 HB2 -0.01 0.04 0.09 -0.04 3.95 4.03 2nxhG1 SER 3241 HB3 -0.01 0.02 0.08 -0.04 3.93 3.98 2nxhG1 GLN 3242 H -0.03 0.54 -0.40 -0.55 8.47 8.04 2nxhG1 GLN 3242 HA -0.04 0.14 0.74 -0.75 4.36 4.44 2nxhG1 GLN 3242 HB2 -0.05 0.17 0.04 -0.04 2.15 2.27 2nxhG1 GLN 3242 HB3 -0.10 -0.04 0.09 -0.04 2.02 1.93 2nxhG1 GLN 3242 HG2 -0.05 0.02 -0.01 -0.04 2.40 2.32 2nxhG1 GLN 3242 HG3 -0.03 -0.08 -0.08 -0.04 2.39 2.16 2nxhG1 GLN 3242 HE21 -0.02 0.02 0.03 -0.04 6.97 6.95 2nxhG1 GLN 3242 HE22 -0.02 -0.03 0.01 -0.04 7.69 7.61 2nxhG1 LEU 3243 H -0.02 0.38 -0.25 -0.55 8.37 7.93 2nxhG1 LEU 3243 HA -0.04 0.05 0.34 -0.75 4.35 3.94 2nxhG1 LEU 3243 HB2 -0.01 0.21 0.10 -0.04 1.64 1.91 2nxhG1 LEU 3243 HB3 0.03 0.04 -0.13 -0.04 1.64 1.54 2nxhG1 LEU 3243 HG 0.02 0.01 -0.07 -0.04 1.64 1.55 2nxhG1 LEU 3243 HD13 -0.03 -0.00 -0.17 -0.04 0.93 0.69 2nxhG1 LEU 3243 HD23 -0.00 0.00 -0.10 -0.04 0.89 0.75 2nxhG1 GLU 3244 H 0.03 0.19 -0.21 -0.55 8.60 8.06 2nxhG1 GLU 3244 HA 0.18 0.10 0.33 -0.75 4.29 4.14 2nxhG1 GLU 3244 HB2 0.09 0.03 0.05 -0.04 2.09 2.22 2nxhG1 GLU 3244 HB3 0.05 0.01 0.03 -0.04 1.99 2.05 2nxhG1 GLU 3244 HG2 0.19 -0.01 -0.22 -0.04 2.34 2.26 2nxhG1 GLU 3244 HG3 0.27 0.04 -0.02 -0.04 2.34 2.60 2nxhG1 GLY 3245 H -0.01 0.15 -0.25 -0.55 8.43 7.77 2nxhG1 GLY 3245 HA2 0.02 0.07 0.38 -0.51 4.01 3.97 2nxhG1 GLY 3245 HA3 -0.05 0.06 0.28 -0.51 4.01 3.79 2nxhG1 ILE 3246 H -0.16 0.38 -0.16 -0.55 8.25 7.76 2nxhG1 ILE 3246 HA -0.32 -0.01 0.34 -0.75 4.18 3.43 2nxhG1 ILE 3246 HB -0.11 0.13 0.10 -0.04 1.89 1.97 2nxhG1 ILE 3246 HG12 -0.26 0.38 0.13 -0.04 1.49 1.70 2nxhG1 ILE 3246 HG13 -0.23 -0.05 -0.04 -0.04 1.21 0.86 2nxhG1 ILE 3246 HG23 -0.04 -0.02 -0.12 -0.04 0.93 0.71 2nxhG1 ILE 3246 HD13 -1.09 -0.03 -0.01 -0.04 0.88 -0.30 2nxhG1 ILE 3247 H -0.07 0.62 -0.13 -0.55 8.25 8.12 2nxhG1 ILE 3247 HA -0.13 -0.00 0.31 -0.75 4.18 3.61 2nxhG1 ILE 3247 HB -0.28 0.07 0.06 -0.04 1.89 1.69 2nxhG1 ILE 3247 HG12 -0.03 -0.04 -0.05 -0.04 1.49 1.33 2nxhG1 ILE 3247 HG13 -0.02 0.21 0.05 -0.04 1.21 1.41 2nxhG1 ILE 3247 HG23 -0.57 0.00 -0.14 -0.04 0.93 0.18 2nxhG1 ILE 3247 HD13 0.24 -0.03 -0.16 -0.04 0.88 0.89 2nxhG1 GLU 3248 H -0.07 0.52 -0.25 -0.55 8.60 8.25 2nxhG1 GLU 3248 HA -0.08 0.04 0.43 -0.75 4.29 3.93 2nxhG1 GLU 3248 HB2 0.25 0.02 0.11 -0.04 2.09 2.42 2nxhG1 GLU 3248 HB3 0.07 0.15 0.23 -0.04 1.99 2.40 2nxhG1 GLU 3248 HG2 0.11 -0.03 -0.02 -0.04 2.34 2.35 2nxhG1 GLU 3248 HG3 0.07 -0.02 -0.26 -0.04 2.34 2.09 2nxhG1 ALA 3249 H 0.03 0.61 0.00 -0.55 8.40 8.50 2nxhG1 ALA 3249 HA 0.06 -0.02 0.38 -0.75 4.34 4.01 2nxhG1 ALA 3249 HB3 0.25 0.02 0.09 -0.04 1.41 1.73 2nxhG1 ILE 3250 H -0.01 0.56 -0.21 -0.55 8.25 8.05 2nxhG1 ILE 3250 HA -0.04 -0.00 0.41 -0.75 4.18 3.79 2nxhG1 ILE 3250 HB -0.18 -0.03 0.01 -0.04 1.89 1.65 2nxhG1 ILE 3250 HG12 -0.14 0.22 0.17 -0.04 1.49 1.70 2nxhG1 ILE 3250 HG13 -0.31 0.03 -0.16 -0.04 1.21 0.73 2nxhG1 ILE 3250 HG23 0.08 0.07 -0.05 -0.04 0.93 0.99 2nxhG1 ILE 3250 HD13 -0.01 -0.03 -0.08 -0.04 0.88 0.71 2nxhG1 LEU 3251 H -0.15 0.50 -0.19 -0.55 8.37 7.98 2nxhG1 LEU 3251 HA -0.22 0.04 0.44 -0.75 4.35 3.86 2nxhG1 LEU 3251 HB2 -0.08 0.15 0.19 -0.04 1.64 1.86 2nxhG1 LEU 3251 HB3 -0.05 -0.05 0.02 -0.04 1.64 1.52 2nxhG1 LEU 3251 HG -0.28 0.21 0.07 -0.04 1.64 1.59 2nxhG1 LEU 3251 HD13 -0.12 -0.03 -0.04 -0.04 0.93 0.70 2nxhG1 LEU 3251 HD23 -0.15 -0.01 -0.05 -0.04 0.89 0.63 2nxhG1 GLU 3252 H -0.04 0.46 -0.16 -0.55 8.60 8.32 2nxhG1 GLU 3252 HA -0.02 0.04 0.46 -0.75 4.29 4.01 2nxhG1 GLU 3252 HB2 0.00 0.13 0.19 -0.04 2.09 2.38 2nxhG1 GLU 3252 HB3 -0.00 -0.05 -0.01 -0.04 1.99 1.89 2nxhG1 GLU 3252 HG2 0.01 -0.03 0.02 -0.04 2.34 2.30 2nxhG1 GLU 3252 HG3 0.02 0.07 0.01 -0.04 2.34 2.40 2nxhG1 ILE 3253 H -0.04 0.59 -0.00 -0.55 8.25 8.25 2nxhG1 ILE 3253 HA -0.03 -0.00 0.40 -0.75 4.18 3.80 2nxhG1 ILE 3253 HB -0.04 0.06 0.12 -0.04 1.89 1.99 2nxhG1 ILE 3253 HG12 -0.03 -0.06 0.03 -0.04 1.49 1.39 2nxhG1 ILE 3253 HG13 -0.02 0.23 0.13 -0.04 1.21 1.51 2nxhG1 ILE 3253 HG23 -0.02 0.01 -0.14 -0.04 0.93 0.74 2nxhG1 ILE 3253 HD13 -0.06 -0.03 -0.03 -0.04 0.88 0.72 2nxhG1 ARG 3254 H -0.10 0.63 -0.19 -0.55 8.46 8.25 2nxhG1 ARG 3254 HA -0.00 0.08 0.37 -0.75 4.34 4.04 2nxhG1 ARG 3254 HB2 -0.23 0.03 0.14 -0.04 1.90 1.80 2nxhG1 ARG 3254 HB3 -0.18 0.06 0.14 -0.04 1.80 1.79 2nxhG1 ARG 3254 HG2 -0.04 -0.04 -0.06 -0.04 1.67 1.49 2nxhG1 ARG 3254 HG3 0.09 0.02 0.08 -0.04 1.67 1.81 2nxhG1 ARG 3254 HD2 -0.55 -0.04 -0.02 -0.04 3.22 2.57 2nxhG1 ARG 3254 HD3 -0.11 -0.00 -0.03 -0.04 3.22 3.04 2nxhG1 GLU 3255 H -0.08 0.40 -0.37 -0.55 8.60 8.01 2nxhG1 GLU 3255 HA -0.10 0.02 0.42 -0.75 4.29 3.88 2nxhG1 GLU 3255 HB2 -0.05 0.14 0.20 -0.04 2.09 2.33 2nxhG1 GLU 3255 HB3 -0.05 0.12 0.21 -0.04 1.99 2.23 2nxhG1 GLU 3255 HG2 -0.03 -0.06 0.02 -0.04 2.34 2.22 2nxhG1 GLU 3255 HG3 -0.06 -0.03 -0.15 -0.04 2.34 2.07 2nxhG1 VAL 3256 H -0.07 0.37 -0.07 -0.55 8.24 7.92 2nxhG1 VAL 3256 HA -0.12 0.09 0.63 -0.75 4.13 3.97 2nxhG1 VAL 3256 HB -0.04 -0.04 0.09 -0.04 2.12 2.09 2nxhG1 VAL 3256 HG13 -0.01 0.04 0.04 -0.04 0.97 0.99 2nxhG1 VAL 3256 HG23 0.01 -0.02 0.01 -0.04 0.95 0.91 2nxhG1 ALA 3257 H -0.09 0.49 -0.11 -0.55 8.40 8.14 2nxhG1 ALA 3257 HA 0.09 0.05 0.67 -0.75 4.34 4.40 2nxhG1 ALA 3257 HB3 0.10 0.03 0.09 -0.04 1.41 1.59 2nxhG1 SER 3258 H -0.38 0.60 -0.04 -0.55 8.46 8.09 2nxhG1 SER 3258 HA -2.31 0.02 0.37 -0.75 4.49 1.82 2nxhG1 SER 3258 HB2 -0.34 -0.07 0.02 -0.04 3.95 3.52 2nxhG1 SER 3258 HB3 -0.35 0.11 0.18 -0.04 3.93 3.83 2nxhG1 LYS 3259 H -0.42 0.19 -0.30 -0.55 8.42 7.34 2nxhG1 LYS 3259 HA -0.22 0.04 0.36 -0.75 4.32 3.74 2nxhG1 LYS 3259 HB2 -0.29 -0.05 0.06 -0.04 1.87 1.55 2nxhG1 LYS 3259 HB3 -0.28 -0.02 0.09 -0.04 1.79 1.54 2nxhG1 LYS 3259 HG2 -0.67 0.15 -0.05 -0.04 1.46 0.84 2nxhG1 LYS 3259 HG3 -1.39 0.01 -0.14 -0.04 1.46 -0.11 2nxhG1 LYS 3259 HD2 -0.29 -0.02 0.03 -0.04 1.69 1.38 2nxhG1 LYS 3259 HD3 -0.48 0.01 0.03 -0.04 1.68 1.20 2nxhG1 LYS 3259 HE2 -0.28 -0.01 -0.04 -0.04 2.99 2.61 2nxhG1 LYS 3259 HE3 -0.21 -0.01 -0.00 -0.04 2.99 2.73 2nxhG1 TYR 3260 H -0.35 0.51 -0.34 -0.55 8.29 7.56 2nxhG1 TYR 3260 HA -0.01 0.03 0.59 -0.75 4.56 4.42 2nxhG1 TYR 3260 HB2 0.02 0.22 0.10 -0.04 3.06 3.36 2nxhG1 TYR 3260 HB3 0.02 -0.11 0.10 -0.04 2.98 2.95 2nxhG1 TYR 3260 HD2 -0.03 0.04 0.04 -0.04 7.15 7.16 2nxhG1 TYR 3260 HE2 -0.03 -0.04 -0.00 -0.04 6.85 6.73 2nxhG1 TYR 3261 H -0.02 0.43 -0.17 -0.55 8.29 7.97 2nxhG1 TYR 3261 HA 0.04 -0.01 0.42 -0.75 4.56 4.25 2nxhG1 TYR 3261 HB2 0.01 0.08 0.17 -0.04 3.06 3.27 2nxhG1 TYR 3261 HB3 0.01 -0.03 0.01 -0.04 2.98 2.94 2nxhG1 TYR 3261 HD2 0.03 -0.05 -0.01 -0.04 7.15 7.08 2nxhG1 TYR 3261 HE2 0.03 0.09 -0.10 -0.04 6.85 6.83 2nxhG1 GLU 3262 H 0.10 0.06 0.26 -0.55 8.60 8.47 2nxhG1 GLU 3262 HA 0.06 0.03 0.44 -0.75 4.29 4.07 2nxhG1 GLU 3262 HB2 0.01 -0.04 0.08 -0.04 2.09 2.10 2nxhG1 GLU 3262 HB3 0.02 -0.00 -0.00 -0.04 1.99 1.96 2nxhG1 GLU 3262 HG2 0.02 -0.08 0.06 -0.04 2.34 2.29 2nxhG1 GLU 3262 HG3 0.04 0.01 0.09 -0.04 2.34 2.44 2nxhG1 THR 3263 H 0.03 0.09 0.17 -0.55 8.28 8.02 2nxhG1 THR 3263 HA 0.02 0.14 0.66 -0.75 4.39 4.45 2nxhG1 THR 3263 HB 0.02 -0.04 0.18 -0.04 4.32 4.43 2nxhG1 THR 3263 HG23 0.01 -0.02 -0.09 -0.04 1.22 1.08 2nxhG1 ILE 3264 H -0.01 0.21 0.06 -0.55 8.25 7.96 2nxhG1 ILE 3264 HA -0.04 0.07 0.15 -0.75 4.18 3.61 2nxhG1 ILE 3264 HB -0.06 0.00 0.04 -0.04 1.89 1.82 2nxhG1 ILE 3264 HG12 -0.02 -0.02 0.08 -0.04 1.49 1.49 2nxhG1 ILE 3264 HG13 -0.02 -0.05 0.02 -0.04 1.21 1.11 2nxhG1 ILE 3264 HG23 -0.10 0.05 -0.13 -0.04 0.93 0.71 2nxhG1 ILE 3264 HD13 -0.05 0.04 0.01 -0.04 0.88 0.84