============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 13 1.000 50.106 146.886 133.815 -99.200 -91.000 PHE 26 1.000 40.703 154.749 142.194 -99.200 -91.000 TRP 29 1.040 35.497 151.424 145.276 -99.200 -91.000 TRP6 29 1.020 36.096 153.691 145.038 -99.200 -91.000 PHE 41 1.000 39.056 165.846 147.018 -99.200 -91.000 TYR 44 0.840 41.074 168.711 137.060 -99.200 -91.000 HIS 50 0.900 64.411 170.056 144.513 -99.200 -91.000 TYR 87 0.840 26.221 150.195 143.119 -99.200 -91.000 TYR 92 0.840 21.110 136.862 137.363 -99.200 -91.000 TRP 101 1.040 20.989 162.200 141.671 -99.200 -91.000 TRP6 101 1.020 22.671 163.032 140.243 -99.200 -91.000 PHE 105 1.000 21.660 169.464 140.854 -99.200 -91.000 HIS 106 0.900 30.247 174.815 139.221 -99.200 -91.000 HIS 119 0.900 16.113 162.527 142.864 -99.200 -91.000 HIS 132 0.900 20.106 148.578 156.713 -99.200 -91.000 HIS 145 0.900 30.592 168.599 140.189 -99.200 -91.000 HIS 177 0.900 30.001 160.341 156.653 -99.200 -91.000 HIS 188 0.900 33.644 165.797 148.353 -99.200 -91.000 PHE 194 1.000 42.935 160.669 150.270 -99.200 -91.000 TYR 199 0.840 53.092 155.003 152.541 -99.200 -91.000 TRP 218 1.040 54.493 144.938 122.752 -99.200 -91.000 TRP6 218 1.020 53.222 144.320 124.633 -99.200 -91.000 HIS 227 0.900 71.863 139.697 112.344 -99.200 -91.000 TRP 232 1.040 63.820 143.399 107.934 -99.200 -91.000 TRP6 232 1.020 64.778 142.838 105.841 -99.200 -91.000 TRP 242 1.040 55.474 125.453 108.886 -99.200 -91.000 TRP6 242 1.020 57.202 124.927 107.370 -99.200 -91.000 TYR 259 0.840 43.690 158.844 126.191 -99.200 -91.000 HIS 260 0.900 47.827 151.790 126.888 -99.200 -91.000 PHE 284 1.000 54.330 173.726 138.987 -99.200 -91.000 TYR 287 0.840 48.803 173.040 135.823 -99.200 -91.000 TYR 294 0.840 49.944 172.912 148.130 -99.200 -91.000 PHE 311 1.000 45.574 162.280 144.823 -99.200 -91.000 TYR 329 0.840 63.952 174.877 149.352 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1w2bB1 PRO 1 HA -0.00 -0.03 0.16 -0.51 4.44 4.06 1w2bB1 PRO 1 HB2 0.00 -0.01 -0.19 -0.04 2.28 2.05 1w2bB1 PRO 1 HB3 -0.00 -0.01 -0.01 -0.04 2.02 1.96 1w2bB1 PRO 1 HG2 0.00 -0.01 -0.00 -0.04 2.03 1.97 1w2bB1 PRO 1 HG3 0.00 -0.01 0.02 -0.04 2.03 2.00 1w2bB1 PRO 1 HD2 0.00 -0.04 0.05 -0.04 3.68 3.66 1w2bB1 PRO 1 HD3 0.00 -0.00 0.03 -0.04 3.65 3.64 1w2bB1 GLN 2 H -0.00 0.09 0.04 -0.55 8.47 8.06 1w2bB1 GLN 2 HA -0.00 -0.00 0.40 -0.75 4.36 4.00 1w2bB1 GLN 2 HB2 -0.00 0.11 -0.12 -0.04 2.15 2.09 1w2bB1 GLN 2 HB3 -0.00 0.08 0.05 -0.04 2.02 2.10 1w2bB1 GLN 2 HG2 -0.00 -0.04 0.01 -0.04 2.40 2.32 1w2bB1 GLN 2 HG3 -0.01 -0.02 -0.08 -0.04 2.39 2.24 1w2bB1 GLN 2 HE21 -0.02 -0.02 -0.01 -0.04 6.97 6.89 1w2bB1 GLN 2 HE22 -0.01 -0.03 -0.00 -0.04 7.69 7.60 1w2bB1 PRO 3 HA 0.00 0.00 0.40 -0.51 4.44 4.33 1w2bB1 PRO 3 HB2 0.00 0.11 0.01 -0.04 2.28 2.37 1w2bB1 PRO 3 HB3 0.00 -0.01 0.11 -0.04 2.02 2.08 1w2bB1 PRO 3 HG2 0.00 0.02 0.06 -0.04 2.03 2.08 1w2bB1 PRO 3 HG3 0.00 0.00 0.03 -0.04 2.03 2.02 1w2bB1 PRO 3 HD2 0.00 0.12 0.17 -0.04 3.68 3.93 1w2bB1 PRO 3 HD3 0.00 -0.01 0.18 -0.04 3.65 3.77 1w2bB1 SER 4 H 0.00 0.00 0.15 -0.55 8.46 8.07 1w2bB1 SER 4 HA -0.00 0.17 0.55 -0.75 4.49 4.45 1w2bB1 SER 4 HB2 0.00 -0.04 0.08 -0.04 3.95 3.95 1w2bB1 SER 4 HB3 0.00 -0.06 0.08 -0.04 3.93 3.91 1w2bB1 ARG 5 H 0.00 0.16 0.03 -0.55 8.46 8.10 1w2bB1 ARG 5 HA 0.01 0.03 0.40 -0.75 4.34 4.03 1w2bB1 ARG 5 HB2 0.01 0.16 0.10 -0.04 1.90 2.12 1w2bB1 ARG 5 HB3 0.00 -0.06 -0.26 -0.04 1.80 1.44 1w2bB1 ARG 5 HG2 0.01 0.31 -0.33 -0.04 1.67 1.62 1w2bB1 ARG 5 HG3 0.01 -0.07 -0.00 -0.04 1.67 1.57 1w2bB1 ARG 5 HD2 0.01 0.01 -0.09 -0.04 3.22 3.11 1w2bB1 ARG 5 HD3 0.01 -0.06 -0.08 -0.04 3.22 3.05 1w2bB1 PRO 6 HA 0.01 -0.06 0.46 -0.51 4.44 4.34 1w2bB1 PRO 6 HB2 0.02 0.11 0.08 -0.04 2.28 2.45 1w2bB1 PRO 6 HB3 0.02 -0.01 0.10 -0.04 2.02 2.09 1w2bB1 PRO 6 HG2 0.01 0.03 0.08 -0.04 2.03 2.12 1w2bB1 PRO 6 HG3 0.01 -0.01 0.08 -0.04 2.03 2.07 1w2bB1 PRO 6 HD2 0.01 0.14 0.18 -0.04 3.68 3.97 1w2bB1 PRO 6 HD3 0.01 0.07 0.16 -0.04 3.65 3.84 1w2bB1 ARG 7 H 0.01 -0.02 0.17 -0.55 8.46 8.07 1w2bB1 ARG 7 HA -0.00 0.06 0.35 -0.75 4.34 3.99 1w2bB1 ARG 7 HB2 -0.03 0.04 0.14 -0.04 1.90 2.01 1w2bB1 ARG 7 HB3 -0.02 -0.04 0.15 -0.04 1.80 1.85 1w2bB1 ARG 7 HG2 -0.01 -0.04 -0.01 -0.04 1.67 1.57 1w2bB1 ARG 7 HG3 0.02 -0.14 -0.02 -0.04 1.67 1.49 1w2bB1 ARG 7 HD2 0.04 -0.07 -0.22 -0.04 3.22 2.93 1w2bB1 ARG 7 HD3 0.05 -0.06 -0.88 -0.04 3.22 2.29 1w2bB1 LYS 8 H -0.01 0.09 0.14 -0.55 8.42 8.09 1w2bB1 LYS 8 HA 0.08 0.14 0.89 -0.75 4.32 4.67 1w2bB1 LYS 8 HB2 0.06 -0.08 0.11 -0.04 1.87 1.92 1w2bB1 LYS 8 HB3 0.14 0.25 -0.16 -0.04 1.79 1.99 1w2bB1 LYS 8 HG2 0.02 -0.09 -0.01 -0.04 1.46 1.34 1w2bB1 LYS 8 HG3 0.04 -0.13 -0.08 -0.04 1.46 1.25 1w2bB1 LYS 8 HD2 0.06 0.22 -0.05 -0.04 1.69 1.88 1w2bB1 LYS 8 HD3 0.04 0.15 -0.20 -0.04 1.68 1.62 1w2bB1 LYS 8 HE2 0.02 -0.01 -0.06 -0.04 2.99 2.89 1w2bB1 LYS 8 HE3 0.03 -0.18 0.03 -0.04 2.99 2.82 1w2bB1 GLY 9 H 0.13 0.07 0.13 -0.55 8.43 8.21 1w2bB1 GLY 9 HA2 0.16 -0.10 0.42 -0.51 4.01 3.98 1w2bB1 GLY 9 HA3 0.52 0.17 0.48 -0.51 4.01 4.67 1w2bB1 SER 10 H 0.12 0.07 0.13 -0.55 8.46 8.23 1w2bB1 SER 10 HA 0.16 0.05 0.37 -0.75 4.49 4.31 1w2bB1 SER 10 HB2 0.16 0.05 0.13 -0.04 3.95 4.25 1w2bB1 SER 10 HB3 0.20 0.06 0.05 -0.04 3.93 4.20 1w2bB1 LEU 11 H 0.16 0.04 0.20 -0.55 8.37 8.23 1w2bB1 LEU 11 HA 0.23 0.27 0.77 -0.75 4.35 4.87 1w2bB1 LEU 11 HB2 0.07 0.04 -0.01 -0.04 1.64 1.69 1w2bB1 LEU 11 HB3 0.05 -0.03 -0.00 -0.04 1.64 1.62 1w2bB1 LEU 11 HG 0.03 -0.04 0.07 -0.04 1.64 1.66 1w2bB1 LEU 11 HD13 -0.04 0.05 0.00 -0.04 0.93 0.90 1w2bB1 LEU 11 HD23 -0.02 -0.01 -0.01 -0.04 0.89 0.81 1w2bB1 GLY 12 H 0.18 -0.03 0.08 -0.55 8.43 8.11 1w2bB1 GLY 12 HA2 -0.05 0.17 0.55 -0.51 4.01 4.18 1w2bB1 GLY 12 HA3 -0.15 0.01 0.33 -0.51 4.01 3.69 1w2bB1 PHE 13 H 0.39 0.06 -0.38 -0.55 8.34 7.85 1w2bB1 PHE 13 HA -0.02 0.26 0.84 -0.75 4.62 4.95 1w2bB1 PHE 13 HB2 -0.10 0.01 0.02 -0.04 3.15 3.04 1w2bB1 PHE 13 HB3 -0.11 0.06 0.13 -0.04 3.06 3.10 1w2bB1 PHE 13 HD2 -0.03 -0.02 -0.04 -0.04 7.28 7.15 1w2bB1 PHE 13 HE2 -0.02 -0.04 -0.02 -0.04 7.38 7.26 1w2bB1 PHE 13 HZ -0.02 -0.00 -0.02 -0.04 7.32 7.23 1w2bB1 GLY 14 H 0.08 0.20 -0.49 -0.55 8.43 7.67 1w2bB1 GLY 14 HA2 0.12 0.12 0.46 -0.51 4.01 4.21 1w2bB1 GLY 14 HA3 0.14 0.02 0.18 -0.51 4.01 3.85 1w2bB1 PRO 15 HA 0.13 0.05 0.37 -0.51 4.44 4.48 1w2bB1 PRO 15 HB2 0.09 0.03 -0.04 -0.04 2.28 2.32 1w2bB1 PRO 15 HB3 0.08 0.03 0.09 -0.04 2.02 2.17 1w2bB1 PRO 15 HG2 0.07 0.00 0.08 -0.04 2.03 2.14 1w2bB1 PRO 15 HG3 0.06 0.02 0.07 -0.04 2.03 2.14 1w2bB1 PRO 15 HD2 0.05 0.14 0.43 -0.04 3.68 4.26 1w2bB1 PRO 15 HD3 0.05 0.05 0.13 -0.04 3.65 3.84 1w2bB1 ARG 16 H 0.18 0.13 0.08 -0.55 8.46 8.30 1w2bB1 ARG 16 HA 0.11 0.23 0.62 -0.75 4.34 4.54 1w2bB1 ARG 16 HB2 0.13 -0.08 0.17 -0.04 1.90 2.08 1w2bB1 ARG 16 HB3 0.12 0.19 0.30 -0.04 1.80 2.37 1w2bB1 ARG 16 HG2 -0.39 -0.01 0.05 -0.04 1.67 1.29 1w2bB1 ARG 16 HG3 -0.65 -0.01 0.04 -0.04 1.67 1.02 1w2bB1 ARG 16 HD2 -0.14 0.37 -0.10 -0.04 3.22 3.32 1w2bB1 ARG 16 HD3 0.05 -0.10 -0.08 -0.04 3.22 3.04 1w2bB1 LYS 17 H 0.17 0.48 -0.19 -0.55 8.42 8.33 1w2bB1 LYS 17 HA 0.09 0.07 0.73 -0.75 4.32 4.46 1w2bB1 LYS 17 HB2 0.06 -0.04 0.11 -0.04 1.87 1.95 1w2bB1 LYS 17 HB3 0.08 -0.08 -0.04 -0.04 1.79 1.70 1w2bB1 LYS 17 HG2 0.10 0.12 -0.04 -0.04 1.46 1.60 1w2bB1 LYS 17 HG3 0.08 0.16 -0.22 -0.04 1.46 1.44 1w2bB1 LYS 17 HD2 0.06 -0.08 -0.02 -0.04 1.69 1.60 1w2bB1 LYS 17 HD3 0.05 -0.01 -0.02 -0.04 1.68 1.67 1w2bB1 LYS 17 HE2 0.04 0.11 -0.04 -0.04 2.99 3.06 1w2bB1 LYS 17 HE3 0.04 -0.03 -0.01 -0.04 2.99 2.95 1w2bB1 ARG 18 H 0.03 0.00 0.11 -0.55 8.46 8.05 1w2bB1 ARG 18 HA -0.01 0.25 0.50 -0.75 4.34 4.33 1w2bB1 ARG 18 HB2 0.03 -0.05 0.06 -0.04 1.90 1.90 1w2bB1 ARG 18 HB3 0.13 0.06 0.07 -0.04 1.80 2.02 1w2bB1 ARG 18 HG2 -0.06 0.08 0.01 -0.04 1.67 1.67 1w2bB1 ARG 18 HG3 -0.03 -0.08 0.05 -0.04 1.67 1.56 1w2bB1 ARG 18 HD2 -0.04 -0.01 0.02 -0.04 3.22 3.15 1w2bB1 ARG 18 HD3 -0.14 0.02 0.01 -0.04 3.22 3.07 1w2bB1 SER 19 H 0.13 0.31 0.18 -0.55 8.46 8.53 1w2bB1 SER 19 HA 0.01 0.08 0.44 -0.75 4.49 4.28 1w2bB1 SER 19 HB2 -0.15 0.01 -0.02 -0.04 3.95 3.75 1w2bB1 SER 19 HB3 -0.25 0.01 -0.19 -0.04 3.93 3.45 1w2bB1 THR 20 H 0.00 0.09 0.11 -0.55 8.28 7.93 1w2bB1 THR 20 HA 0.04 0.12 0.50 -0.75 4.39 4.29 1w2bB1 THR 20 HB 0.01 -0.03 0.09 -0.04 4.32 4.35 1w2bB1 THR 20 HG23 0.02 -0.00 -0.03 -0.04 1.22 1.17 1w2bB1 SER 21 H -0.02 0.12 0.01 -0.55 8.46 8.02 1w2bB1 SER 21 HA 0.01 0.19 0.86 -0.75 4.49 4.80 1w2bB1 SER 21 HB2 -0.03 0.15 0.06 -0.04 3.95 4.09 1w2bB1 SER 21 HB3 -0.00 -0.03 0.05 -0.04 3.93 3.91 1w2bB1 GLU 22 H 0.01 0.21 0.06 -0.55 8.60 8.34 1w2bB1 GLU 22 HA -0.24 0.08 0.33 -0.75 4.29 3.70 1w2bB1 GLU 22 HB2 0.12 0.02 0.07 -0.04 2.09 2.26 1w2bB1 GLU 22 HB3 0.04 -0.01 0.05 -0.04 1.99 2.03 1w2bB1 GLU 22 HG2 -0.02 -0.00 0.09 -0.04 2.34 2.37 1w2bB1 GLU 22 HG3 -0.07 0.02 0.13 -0.04 2.34 2.37 1w2bB1 THR 23 H -0.04 -0.08 -0.77 -0.55 8.28 6.84 1w2bB1 THR 23 HA -0.07 0.21 0.70 -0.75 4.39 4.47 1w2bB1 THR 23 HB -0.01 -0.04 0.04 -0.04 4.32 4.27 1w2bB1 THR 23 HG23 -0.01 0.06 -0.24 -0.04 1.22 0.98 1w2bB1 PRO 24 HA -0.19 -0.00 0.21 -0.51 4.44 3.95 1w2bB1 PRO 24 HB2 -0.33 0.02 -0.20 -0.04 2.28 1.73 1w2bB1 PRO 24 HB3 -0.35 -0.09 -0.18 -0.04 2.02 1.35 1w2bB1 PRO 24 HG2 -0.20 0.22 -0.24 -0.04 2.03 1.77 1w2bB1 PRO 24 HG3 -0.19 -0.08 -0.19 -0.04 2.03 1.52 1w2bB1 PRO 24 HD2 -0.14 0.08 0.01 -0.04 3.68 3.59 1w2bB1 PRO 24 HD3 -0.13 0.49 0.23 -0.04 3.65 4.19 1w2bB1 ARG 25 H -0.25 0.11 -0.05 -0.55 8.46 7.72 1w2bB1 ARG 25 HA -0.09 0.12 0.70 -0.75 4.34 4.32 1w2bB1 ARG 25 HB2 -0.05 -0.05 0.12 -0.04 1.90 1.88 1w2bB1 ARG 25 HB3 0.02 0.04 0.03 -0.04 1.80 1.85 1w2bB1 ARG 25 HG2 -0.07 -0.01 -0.51 -0.04 1.67 1.04 1w2bB1 ARG 25 HG3 -0.01 -0.07 -0.07 -0.04 1.67 1.47 1w2bB1 ARG 25 HD2 0.05 -0.09 -0.01 -0.04 3.22 3.13 1w2bB1 ARG 25 HD3 0.01 0.26 -0.08 -0.04 3.22 3.37 1w2bB1 PHE 26 H -0.29 0.14 0.00 -0.55 8.34 7.63 1w2bB1 PHE 26 HA -0.24 -0.02 0.34 -0.75 4.62 3.94 1w2bB1 PHE 26 HB2 -1.12 0.05 0.03 -0.04 3.15 2.06 1w2bB1 PHE 26 HB3 -0.70 0.01 0.14 -0.04 3.06 2.46 1w2bB1 PHE 26 HD2 -0.31 -0.02 -0.02 -0.04 7.28 6.89 1w2bB1 PHE 26 HE2 -0.05 -0.03 -0.21 -0.04 7.38 7.06 1w2bB1 PHE 26 HZ -0.06 0.37 -0.26 -0.04 7.32 7.34 1w2bB1 ASN 27 H -0.09 0.07 0.20 -0.55 8.53 8.16 1w2bB1 ASN 27 HA -0.04 0.23 0.82 -0.75 4.76 5.02 1w2bB1 ASN 27 HB2 -0.02 -0.00 0.15 -0.04 2.88 2.96 1w2bB1 ASN 27 HB3 -0.04 0.07 0.02 -0.04 2.79 2.80 1w2bB1 ASN 27 HD21 -0.05 -0.02 -0.04 -0.04 7.03 6.89 1w2bB1 ASN 27 HD22 -0.03 0.01 -0.00 -0.04 7.74 7.67 1w2bB1 SER 28 H -0.30 0.08 0.04 -0.55 8.46 7.74 1w2bB1 SER 28 HA -0.07 0.19 0.76 -0.75 4.49 4.62 1w2bB1 SER 28 HB2 -0.11 -0.08 -0.03 -0.04 3.95 3.69 1w2bB1 SER 28 HB3 -0.06 0.06 -0.06 -0.04 3.93 3.83 1w2bB1 TRP 29 H 0.13 0.27 0.14 -0.55 7.97 7.96 1w2bB1 TRP 29 HA -0.10 0.20 0.85 -0.75 4.62 4.82 1w2bB1 TRP 29 HB2 -0.04 -0.02 -0.01 -0.04 3.23 3.12 1w2bB1 TRP 29 HB3 -0.06 0.05 0.02 -0.04 3.23 3.20 1w2bB1 TRP 29 HD1 -0.03 -0.01 -0.25 -0.04 7.22 6.89 1w2bB1 TRP 29 HE1 0.02 0.05 -0.22 -0.04 10.20 10.00 1w2bB1 TRP 29 HE3 -0.14 0.11 0.18 -0.04 7.59 7.70 1w2bB1 TRP 29 HZ2 0.12 0.21 0.01 -0.04 7.44 7.74 1w2bB1 TRP 29 HZ3 -0.11 0.38 0.09 -0.04 7.13 7.45 1w2bB1 TRP 29 HH2 0.14 0.04 0.04 -0.04 7.19 7.38 1w2bB1 PRO 30 HA 0.05 0.03 0.35 -0.51 4.44 4.36 1w2bB1 PRO 30 HB2 0.04 0.00 -0.04 -0.04 2.28 2.25 1w2bB1 PRO 30 HB3 0.02 0.05 0.10 -0.04 2.02 2.16 1w2bB1 PRO 30 HG2 0.06 0.01 0.09 -0.04 2.03 2.14 1w2bB1 PRO 30 HG3 0.03 0.24 0.01 -0.04 2.03 2.28 1w2bB1 PRO 30 HD2 0.29 0.06 0.17 -0.04 3.68 4.16 1w2bB1 PRO 30 HD3 0.17 0.14 0.24 -0.04 3.65 4.16 1w2bB1 SER 31 H 0.02 0.12 0.17 -0.55 8.46 8.22 1w2bB1 SER 31 HA 0.02 0.12 0.67 -0.75 4.49 4.55 1w2bB1 SER 31 HB2 0.00 0.03 0.01 -0.04 3.95 3.96 1w2bB1 SER 31 HB3 0.01 0.02 0.09 -0.04 3.93 4.01 1w2bB1 ASP 32 H -0.00 0.12 0.11 -0.55 8.40 8.08 1w2bB1 ASP 32 HA -0.02 0.02 0.34 -0.75 4.63 4.22 1w2bB1 ASP 32 HB2 -0.02 -0.04 0.20 -0.04 2.71 2.82 1w2bB1 ASP 32 HB3 -0.03 0.23 -0.02 -0.04 2.70 2.84 1w2bB1 ASP 33 H -0.03 0.15 0.04 -0.55 8.40 8.01 1w2bB1 ASP 33 HA -0.02 0.18 0.87 -0.75 4.63 4.91 1w2bB1 ASP 33 HB2 -0.02 0.13 0.01 -0.04 2.71 2.80 1w2bB1 ASP 33 HB3 -0.02 -0.26 0.20 -0.04 2.70 2.58 1w2bB1 GLY 34 H -0.03 0.08 0.08 -0.55 8.43 8.01 1w2bB1 GLY 34 HA2 -0.04 0.05 0.32 -0.51 4.01 3.84 1w2bB1 GLY 34 HA3 -0.04 -0.04 0.43 -0.51 4.01 3.84 1w2bB1 GLN 35 H -0.07 0.08 0.12 -0.55 8.47 8.06 1w2bB1 GLN 35 HA -0.09 0.02 0.55 -0.75 4.36 4.09 1w2bB1 GLN 35 HB2 -0.10 0.06 0.03 -0.04 2.15 2.09 1w2bB1 GLN 35 HB3 -0.14 0.06 0.15 -0.04 2.02 2.05 1w2bB1 GLN 35 HG2 -0.07 -0.01 0.05 -0.04 2.40 2.32 1w2bB1 GLN 35 HG3 -0.06 -0.08 0.08 -0.04 2.39 2.29 1w2bB1 GLN 35 HE21 -0.06 0.00 0.02 -0.04 6.97 6.89 1w2bB1 GLN 35 HE22 -0.06 -0.03 0.03 -0.04 7.69 7.58 1w2bB1 PRO 36 HA -0.09 0.16 0.51 -0.51 4.44 4.51 1w2bB1 PRO 36 HB2 -0.69 0.05 0.04 -0.04 2.28 1.65 1w2bB1 PRO 36 HB3 -0.08 -0.00 -0.01 -0.04 2.02 1.89 1w2bB1 PRO 36 HG2 -0.15 0.04 -0.14 -0.04 2.03 1.75 1w2bB1 PRO 36 HG3 -0.10 -0.13 -0.02 -0.04 2.03 1.74 1w2bB1 PRO 36 HD2 -0.23 0.16 0.21 -0.04 3.68 3.77 1w2bB1 PRO 36 HD3 -0.12 0.06 0.25 -0.04 3.65 3.80 1w2bB1 GLY 37 H -0.01 0.40 0.08 -0.55 8.43 8.35 1w2bB1 GLY 37 HA2 0.25 0.04 0.49 -0.51 4.01 4.27 1w2bB1 GLY 37 HA3 -0.00 0.13 0.29 -0.51 4.01 3.92 1w2bB1 VAL 38 H -0.00 0.15 0.15 -0.55 8.24 7.99 1w2bB1 VAL 38 HA -0.09 0.14 0.71 -0.75 4.13 4.13 1w2bB1 VAL 38 HB 0.02 0.03 0.08 -0.04 2.12 2.20 1w2bB1 VAL 38 HG13 -0.03 -0.00 -0.09 -0.04 0.97 0.80 1w2bB1 VAL 38 HG23 -0.17 -0.01 -0.02 -0.04 0.95 0.70 1w2bB1 GLN 39 H -0.14 0.78 0.30 -0.55 8.47 8.86 1w2bB1 GLN 39 HA 0.00 0.21 0.92 -0.75 4.36 4.75 1w2bB1 GLN 39 HB2 -0.09 -0.05 0.18 -0.04 2.15 2.15 1w2bB1 GLN 39 HB3 0.21 -0.01 0.26 -0.04 2.02 2.43 1w2bB1 GLN 39 HG2 -0.03 0.07 -0.09 -0.04 2.40 2.32 1w2bB1 GLN 39 HG3 -0.09 -0.09 -0.09 -0.04 2.39 2.08 1w2bB1 GLN 39 HE21 0.01 0.15 -0.20 -0.04 6.97 6.89 1w2bB1 GLN 39 HE22 -0.21 -0.09 -0.22 -0.04 7.69 7.13 1w2bB1 GLY 40 H 0.22 0.32 -0.23 -0.55 8.43 8.20 1w2bB1 GLY 40 HA2 0.45 0.26 0.49 -0.51 4.01 4.70 1w2bB1 GLY 40 HA3 0.43 0.01 0.43 -0.51 4.01 4.36 1w2bB1 PHE 41 H 0.44 0.53 0.26 -0.55 8.34 9.02 1w2bB1 PHE 41 HA 0.20 0.03 0.39 -0.75 4.62 4.48 1w2bB1 PHE 41 HB2 0.31 0.18 -0.34 -0.04 3.15 3.26 1w2bB1 PHE 41 HB3 0.02 -0.07 -0.19 -0.04 3.06 2.79 1w2bB1 PHE 41 HD2 -0.02 0.01 -0.10 -0.04 7.28 7.13 1w2bB1 PHE 41 HE2 -0.35 0.08 -0.04 -0.04 7.38 7.04 1w2bB1 PHE 41 HZ -0.16 0.06 0.10 -0.04 7.32 7.28 1w2bB1 ALA 42 H -0.85 0.17 0.11 -0.55 8.40 7.28 1w2bB1 ALA 42 HA 0.05 0.16 1.16 -0.75 4.34 4.96 1w2bB1 ALA 42 HB3 -0.18 0.01 0.04 -0.04 1.41 1.24 1w2bB1 GLY 43 H -0.16 0.44 0.25 -0.55 8.43 8.42 1w2bB1 GLY 43 HA2 -0.13 0.13 0.65 -0.51 4.01 4.14 1w2bB1 GLY 43 HA3 0.03 0.02 0.18 -0.51 4.01 3.73 1w2bB1 TYR 44 H 0.15 0.71 0.24 -0.55 8.29 8.85 1w2bB1 TYR 44 HA 0.00 0.27 0.97 -0.75 4.56 5.04 1w2bB1 TYR 44 HB2 0.07 -0.06 0.11 -0.04 3.06 3.14 1w2bB1 TYR 44 HB3 0.09 0.08 -0.10 -0.04 2.98 3.01 1w2bB1 TYR 44 HD2 0.02 0.15 -0.15 -0.04 7.15 7.12 1w2bB1 TYR 44 HE2 -0.01 -0.05 -0.10 -0.04 6.85 6.64 1w2bB1 LYS 45 H 0.01 0.54 0.15 -0.55 8.42 8.57 1w2bB1 LYS 45 HA -0.10 0.03 0.44 -0.75 4.32 3.93 1w2bB1 LYS 45 HB2 -0.06 0.11 0.08 -0.04 1.87 1.96 1w2bB1 LYS 45 HB3 -0.04 -0.04 0.18 -0.04 1.79 1.85 1w2bB1 LYS 45 HG2 -0.14 -0.13 -0.29 -0.04 1.46 0.86 1w2bB1 LYS 45 HG3 -0.10 -0.01 0.01 -0.04 1.46 1.32 1w2bB1 LYS 45 HD2 -0.06 0.17 -0.14 -0.04 1.69 1.62 1w2bB1 LYS 45 HD3 -0.04 0.02 -0.54 -0.04 1.68 1.07 1w2bB1 LYS 45 HE2 -0.04 -0.15 -0.15 -0.04 2.99 2.61 1w2bB1 LYS 45 HE3 -0.05 -0.07 -0.04 -0.04 2.99 2.78 1w2bB1 ALA 46 H -0.35 0.54 0.40 -0.55 8.40 8.45 1w2bB1 ALA 46 HA -1.95 0.19 0.96 -0.75 4.34 2.78 1w2bB1 ALA 46 HB3 -0.84 -0.03 -0.10 -0.04 1.41 0.40 1w2bB1 GLY 47 H -0.35 0.41 0.33 -0.55 8.43 8.27 1w2bB1 GLY 47 HA2 -0.04 0.09 0.31 -0.51 4.01 3.86 1w2bB1 GLY 47 HA3 0.09 0.08 0.60 -0.51 4.01 4.27 1w2bB1 MET 48 H 0.24 0.24 0.20 -0.55 8.47 8.61 1w2bB1 MET 48 HA 0.07 0.28 1.14 -0.75 4.52 5.25 1w2bB1 MET 48 HB2 0.06 -0.04 0.10 -0.04 2.15 2.22 1w2bB1 MET 48 HB3 0.05 0.00 -0.07 -0.04 2.03 1.97 1w2bB1 MET 48 HG2 0.02 0.10 -0.05 -0.04 2.63 2.65 1w2bB1 MET 48 HG3 0.02 -0.06 -0.29 -0.04 2.56 2.19 1w2bB1 MET 48 HE3 0.02 0.01 -0.23 -0.04 2.10 1.85 1w2bB1 THR 49 H 0.07 0.68 0.40 -0.55 8.28 8.88 1w2bB1 THR 49 HA 0.10 0.14 0.81 -0.75 4.39 4.69 1w2bB1 THR 49 HB -0.08 0.02 0.19 -0.04 4.32 4.40 1w2bB1 THR 49 HG23 -0.04 0.07 0.02 -0.04 1.22 1.22 1w2bB1 HIS 50 H 0.11 0.13 0.23 -0.55 8.41 8.34 1w2bB1 HIS 50 HA -0.01 0.24 1.06 -0.75 4.63 5.17 1w2bB1 HIS 50 HB2 0.01 0.03 -0.07 -0.04 3.26 3.19 1w2bB1 HIS 50 HB3 0.01 -0.02 -0.09 -0.04 3.20 3.06 1w2bB1 HIS 50 HD2 -0.01 -0.01 0.11 -0.04 6.97 7.01 1w2bB1 HIS 50 HE1 0.11 -0.01 -0.06 -0.04 7.75 7.75 1w2bB1 VAL 51 H 0.04 0.84 0.41 -0.55 8.24 8.97 1w2bB1 VAL 51 HA -0.24 0.10 0.96 -0.75 4.13 4.19 1w2bB1 VAL 51 HB -0.09 -0.00 -0.18 -0.04 2.12 1.80 1w2bB1 VAL 51 HG13 -0.00 0.01 -0.13 -0.04 0.97 0.81 1w2bB1 VAL 51 HG23 -0.08 -0.01 -0.12 -0.04 0.95 0.70 1w2bB1 VAL 52 H -0.03 1.03 0.37 -0.55 8.24 9.06 1w2bB1 VAL 52 HA 0.07 0.12 1.01 -0.75 4.13 4.58 1w2bB1 VAL 52 HB 0.16 -0.09 0.18 -0.04 2.12 2.33 1w2bB1 VAL 52 HG13 0.08 -0.00 -0.17 -0.04 0.97 0.83 1w2bB1 VAL 52 HG23 0.21 -0.01 -0.10 -0.04 0.95 1.01 1w2bB1 LEU 53 H 0.04 0.74 0.37 -0.55 8.37 8.97 1w2bB1 LEU 53 HA 0.03 0.21 1.10 -0.75 4.35 4.94 1w2bB1 LEU 53 HB2 0.03 0.03 0.02 -0.04 1.64 1.68 1w2bB1 LEU 53 HB3 0.02 0.05 -0.03 -0.04 1.64 1.64 1w2bB1 LEU 53 HG 0.01 0.04 -0.27 -0.04 1.64 1.38 1w2bB1 LEU 53 HD13 0.01 0.02 -0.48 -0.04 0.93 0.44 1w2bB1 LEU 53 HD23 0.01 -0.00 -0.09 -0.04 0.89 0.77 1w2bB1 VAL 54 H 0.02 0.38 0.26 -0.55 8.24 8.35 1w2bB1 VAL 54 HA 0.02 0.22 0.62 -0.75 4.13 4.24 1w2bB1 VAL 54 HB 0.02 -0.10 0.15 -0.04 2.12 2.15 1w2bB1 VAL 54 HG13 0.02 0.07 -0.17 -0.04 0.97 0.84 1w2bB1 VAL 54 HG23 0.02 0.02 -0.04 -0.04 0.95 0.91 1w2bB1 ASN 55 H 0.02 0.69 0.09 -0.55 8.53 8.78 1w2bB1 ASN 55 HA 0.02 -0.05 0.30 -0.75 4.76 4.28 1w2bB1 ASN 55 HB2 0.02 0.26 0.07 -0.04 2.88 3.19 1w2bB1 ASN 55 HB3 0.02 -0.35 0.22 -0.04 2.79 2.63 1w2bB1 ASN 55 HD21 0.02 -0.06 -0.08 -0.04 7.03 6.87 1w2bB1 ASN 55 HD22 0.02 0.12 -0.11 -0.04 7.74 7.73 1w2bB1 ASP 56 H 0.02 0.03 0.25 -0.55 8.40 8.16 1w2bB1 ASP 56 HA 0.02 0.15 0.63 -0.75 4.63 4.67 1w2bB1 ASP 56 HB2 0.01 0.05 0.16 -0.04 2.71 2.89 1w2bB1 ASP 56 HB3 0.02 -0.10 0.16 -0.04 2.70 2.73 1w2bB1 GLU 57 H 0.03 -0.01 0.08 -0.55 8.60 8.16 1w2bB1 GLU 57 HA 0.04 0.11 0.39 -0.75 4.29 4.08 1w2bB1 GLU 57 HB2 0.05 0.04 0.14 -0.04 2.09 2.27 1w2bB1 GLU 57 HB3 0.03 -0.05 0.10 -0.04 1.99 2.02 1w2bB1 GLU 57 HG2 0.03 -0.27 -0.10 -0.04 2.34 1.96 1w2bB1 GLU 57 HG3 0.04 0.08 0.05 -0.04 2.34 2.48 1w2bB1 PRO 58 HA 0.02 0.19 0.54 -0.51 4.44 4.67 1w2bB1 PRO 58 HB2 0.02 0.00 0.05 -0.04 2.28 2.30 1w2bB1 PRO 58 HB3 0.02 0.08 0.14 -0.04 2.02 2.22 1w2bB1 PRO 58 HG2 0.02 -0.03 0.07 -0.04 2.03 2.04 1w2bB1 PRO 58 HG3 0.02 0.06 0.08 -0.04 2.03 2.15 1w2bB1 PRO 58 HD2 0.04 -0.00 0.24 -0.04 3.68 3.91 1w2bB1 PRO 58 HD3 0.03 0.27 0.18 -0.04 3.65 4.08 1w2bB1 ASN 59 H 0.02 0.05 -0.20 -0.55 8.53 7.85 1w2bB1 ASN 59 HA 0.01 0.23 0.72 -0.75 4.76 4.97 1w2bB1 ASN 59 HB2 0.02 -0.03 0.02 -0.04 2.88 2.84 1w2bB1 ASN 59 HB3 0.01 0.01 0.11 -0.04 2.79 2.88 1w2bB1 ASN 59 HD21 0.01 0.02 -0.02 -0.04 7.03 7.01 1w2bB1 ASN 59 HD22 0.02 -0.02 0.01 -0.04 7.74 7.71 1w2bB1 SER 60 H 0.02 0.24 -0.42 -0.55 8.46 7.75 1w2bB1 SER 60 HA 0.02 0.16 0.64 -0.75 4.49 4.55 1w2bB1 SER 60 HB2 0.02 -0.01 0.02 -0.04 3.95 3.94 1w2bB1 SER 60 HB3 0.02 0.17 0.08 -0.04 3.93 4.16 1w2bB1 PRO 61 HA 0.01 0.12 0.36 -0.51 4.44 4.42 1w2bB1 PRO 61 HB2 0.01 -0.00 0.00 -0.04 2.28 2.25 1w2bB1 PRO 61 HB3 0.01 0.03 0.11 -0.04 2.02 2.13 1w2bB1 PRO 61 HG2 0.01 0.01 0.09 -0.04 2.03 2.10 1w2bB1 PRO 61 HG3 0.01 0.09 0.09 -0.04 2.03 2.18 1w2bB1 PRO 61 HD2 0.01 0.04 0.20 -0.04 3.68 3.89 1w2bB1 PRO 61 HD3 0.01 0.29 0.36 -0.04 3.65 4.27 1w2bB1 ARG 62 H 0.01 -0.06 -0.70 -0.55 8.46 7.16 1w2bB1 ARG 62 HA 0.01 0.16 0.58 -0.75 4.34 4.34 1w2bB1 ARG 62 HB2 0.02 -0.04 -0.03 -0.04 1.90 1.81 1w2bB1 ARG 62 HB3 0.02 0.01 0.07 -0.04 1.80 1.86 1w2bB1 ARG 62 HG2 0.01 0.03 -0.03 -0.04 1.67 1.64 1w2bB1 ARG 62 HG3 0.01 -0.05 -0.09 -0.04 1.67 1.50 1w2bB1 ARG 62 HD2 0.01 -0.01 -0.01 -0.04 3.22 3.17 1w2bB1 ARG 62 HD3 0.02 -0.02 -0.01 -0.04 3.22 3.17 1w2bB1 GLU 63 H 0.01 0.72 -0.26 -0.55 8.60 8.53 1w2bB1 GLU 63 HA 0.02 -0.14 0.30 -0.75 4.29 3.71 1w2bB1 GLU 63 HB2 0.02 0.12 -0.09 -0.04 2.09 2.10 1w2bB1 GLU 63 HB3 0.02 0.14 0.14 -0.04 1.99 2.24 1w2bB1 GLU 63 HG2 0.01 -0.01 -0.00 -0.04 2.34 2.29 1w2bB1 GLU 63 HG3 0.01 -0.04 -0.26 -0.04 2.34 2.01 1w2bB1 GLY 64 H 0.02 0.23 0.27 -0.55 8.43 8.40 1w2bB1 GLY 64 HA2 0.01 -0.01 0.36 -0.51 4.01 3.86 1w2bB1 GLY 64 HA3 0.01 0.15 0.81 -0.51 4.01 4.47 1w2bB1 MET 65 H 0.02 0.57 0.03 -0.55 8.47 8.54 1w2bB1 MET 65 HA 0.02 0.07 0.69 -0.75 4.52 4.54 1w2bB1 MET 65 HB2 0.02 0.09 0.16 -0.04 2.15 2.38 1w2bB1 MET 65 HB3 0.02 -0.08 0.16 -0.04 2.03 2.08 1w2bB1 MET 65 HG2 0.01 -0.06 -0.00 -0.04 2.63 2.54 1w2bB1 MET 65 HG3 0.01 0.18 -0.02 -0.04 2.56 2.70 1w2bB1 MET 65 HE3 0.01 -0.00 0.04 -0.04 2.10 2.11 1w2bB1 GLU 66 H 0.02 0.03 0.19 -0.55 8.60 8.29 1w2bB1 GLU 66 HA 0.03 0.17 0.42 -0.75 4.29 4.16 1w2bB1 GLU 66 HB2 0.03 -0.03 0.05 -0.04 2.09 2.10 1w2bB1 GLU 66 HB3 0.04 -0.06 0.07 -0.04 1.99 1.99 1w2bB1 GLU 66 HG2 0.02 -0.01 0.11 -0.04 2.34 2.42 1w2bB1 GLU 66 HG3 0.02 -0.01 0.04 -0.04 2.34 2.34 1w2bB1 GLU 67 H 0.05 0.11 0.07 -0.55 8.60 8.28 1w2bB1 GLU 67 HA 0.04 -0.02 0.47 -0.75 4.29 4.02 1w2bB1 GLU 67 HB2 0.03 0.27 -0.31 -0.04 2.09 2.03 1w2bB1 GLU 67 HB3 0.03 -0.04 -0.06 -0.04 1.99 1.89 1w2bB1 GLU 67 HG2 0.03 0.05 -0.15 -0.04 2.34 2.24 1w2bB1 GLU 67 HG3 0.03 -0.01 0.06 -0.04 2.34 2.38 1w2bB1 THR 68 H 0.06 0.12 0.15 -0.55 8.28 8.06 1w2bB1 THR 68 HA 0.09 0.10 0.80 -0.75 4.39 4.64 1w2bB1 THR 68 HB 0.08 -0.00 0.10 -0.04 4.32 4.45 1w2bB1 THR 68 HG23 0.24 0.00 -0.22 -0.04 1.22 1.20 1w2bB1 VAL 69 H 0.08 0.92 0.49 -0.55 8.24 9.17 1w2bB1 VAL 69 HA 0.05 0.20 1.02 -0.75 4.13 4.64 1w2bB1 VAL 69 HB 0.04 -0.01 0.08 -0.04 2.12 2.18 1w2bB1 VAL 69 HG13 0.04 0.06 0.01 -0.04 0.97 1.04 1w2bB1 VAL 69 HG23 0.04 0.00 -0.25 -0.04 0.95 0.70 1w2bB1 PRO 70 HA 0.08 0.10 0.60 -0.51 4.44 4.71 1w2bB1 PRO 70 HB2 0.03 -0.05 0.06 -0.04 2.28 2.28 1w2bB1 PRO 70 HB3 0.03 0.06 0.06 -0.04 2.02 2.13 1w2bB1 PRO 70 HG2 0.02 0.04 0.07 -0.04 2.03 2.13 1w2bB1 PRO 70 HG3 0.03 0.04 0.02 -0.04 2.03 2.08 1w2bB1 PRO 70 HD2 0.04 0.09 0.24 -0.04 3.68 4.01 1w2bB1 PRO 70 HD3 0.04 0.19 0.26 -0.04 3.65 4.10 1w2bB1 VAL 71 H 0.05 0.43 0.30 -0.55 8.24 8.47 1w2bB1 VAL 71 HA 0.03 0.17 0.70 -0.75 4.13 4.28 1w2bB1 VAL 71 HB 0.01 0.02 -0.13 -0.04 2.12 1.98 1w2bB1 VAL 71 HG13 0.02 -0.05 -0.41 -0.04 0.97 0.49 1w2bB1 VAL 71 HG23 0.02 -0.00 -0.44 -0.04 0.95 0.49 1w2bB1 THR 72 H 0.02 0.65 0.26 -0.55 8.28 8.67 1w2bB1 THR 72 HA 0.00 0.14 1.01 -0.75 4.39 4.78 1w2bB1 THR 72 HB 0.01 -0.05 0.12 -0.04 4.32 4.36 1w2bB1 THR 72 HG23 -0.05 0.01 -0.08 -0.04 1.22 1.07 1w2bB1 VAL 73 H -0.07 0.39 0.17 -0.55 8.24 8.18 1w2bB1 VAL 73 HA -0.05 0.16 0.63 -0.75 4.13 4.11 1w2bB1 VAL 73 HB -0.47 -0.12 -0.06 -0.04 2.12 1.43 1w2bB1 VAL 73 HG13 -0.23 -0.01 -0.18 -0.04 0.97 0.51 1w2bB1 VAL 73 HG23 0.03 0.04 -0.15 -0.04 0.95 0.83 1w2bB1 ILE 74 H 0.01 0.40 0.23 -0.55 8.25 8.33 1w2bB1 ILE 74 HA -0.08 0.14 0.79 -0.75 4.18 4.27 1w2bB1 ILE 74 HB 0.14 -0.03 -0.08 -0.04 1.89 1.88 1w2bB1 ILE 74 HG12 -0.03 -0.02 -0.16 -0.04 1.49 1.24 1w2bB1 ILE 74 HG13 0.02 0.07 -0.73 -0.04 1.21 0.53 1w2bB1 ILE 74 HG23 0.15 -0.01 -0.61 -0.04 0.93 0.42 1w2bB1 ILE 74 HD13 0.08 -0.00 -0.25 -0.04 0.88 0.67 1w2bB1 GLU 75 H 0.02 0.47 0.12 -0.55 8.60 8.67 1w2bB1 GLU 75 HA 0.12 0.09 0.68 -0.75 4.29 4.43 1w2bB1 GLU 75 HB2 0.17 0.01 0.18 -0.04 2.09 2.42 1w2bB1 GLU 75 HB3 0.12 0.08 0.08 -0.04 1.99 2.23 1w2bB1 GLU 75 HG2 0.07 -0.08 -0.05 -0.04 2.34 2.24 1w2bB1 GLU 75 HG3 0.08 0.06 -0.00 -0.04 2.34 2.44 1w2bB1 THR 76 H 0.09 0.23 -0.05 -0.55 8.28 8.00 1w2bB1 THR 76 HA 0.05 0.20 0.98 -0.75 4.39 4.86 1w2bB1 THR 76 HB 0.23 0.05 0.03 -0.04 4.32 4.58 1w2bB1 THR 76 HG23 -0.01 0.02 -0.44 -0.04 1.22 0.75 1w2bB1 PRO 77 HA 0.06 -0.02 0.46 -0.51 4.44 4.43 1w2bB1 PRO 77 HB2 0.05 0.02 -0.02 -0.04 2.28 2.30 1w2bB1 PRO 77 HB3 0.05 0.03 0.15 -0.04 2.02 2.20 1w2bB1 PRO 77 HG2 0.07 0.07 -0.08 -0.04 2.03 2.05 1w2bB1 PRO 77 HG3 0.07 0.03 0.07 -0.04 2.03 2.16 1w2bB1 PRO 77 HD2 0.14 0.13 -0.09 -0.04 3.68 3.81 1w2bB1 PRO 77 HD3 0.11 -0.05 -0.39 -0.04 3.65 3.28 1w2bB1 PRO 78 HA 0.19 0.02 0.69 -0.51 4.44 4.84 1w2bB1 PRO 78 HB2 0.01 0.00 0.08 -0.04 2.28 2.33 1w2bB1 PRO 78 HB3 0.00 0.04 0.02 -0.04 2.02 2.05 1w2bB1 PRO 78 HG2 0.02 0.02 0.09 -0.04 2.03 2.12 1w2bB1 PRO 78 HG3 0.02 -0.06 0.11 -0.04 2.03 2.06 1w2bB1 PRO 78 HD2 0.03 0.11 0.24 -0.04 3.68 4.03 1w2bB1 PRO 78 HD3 0.04 0.05 0.29 -0.04 3.65 3.99 1w2bB1 MET 79 H -0.07 0.28 0.35 -0.55 8.47 8.49 1w2bB1 MET 79 HA -0.20 0.14 0.89 -0.75 4.52 4.60 1w2bB1 MET 79 HB2 -0.39 -0.04 0.06 -0.04 2.15 1.74 1w2bB1 MET 79 HB3 -0.17 -0.04 0.15 -0.04 2.03 1.93 1w2bB1 MET 79 HG2 -0.40 0.06 -0.08 -0.04 2.63 2.17 1w2bB1 MET 79 HG3 -1.34 0.02 0.03 -0.04 2.56 1.23 1w2bB1 MET 79 HE3 -0.16 -0.04 -0.02 -0.04 2.10 1.83 1w2bB1 ARG 80 H -0.20 0.36 0.26 -0.55 8.46 8.32 1w2bB1 ARG 80 HA 0.17 0.30 0.73 -0.75 4.34 4.79 1w2bB1 ARG 80 HB2 -0.38 -0.07 0.02 -0.04 1.90 1.43 1w2bB1 ARG 80 HB3 0.07 0.17 -0.15 -0.04 1.80 1.85 1w2bB1 ARG 80 HG2 0.03 0.06 -0.19 -0.04 1.67 1.53 1w2bB1 ARG 80 HG3 -0.10 -0.04 -0.60 -0.04 1.67 0.89 1w2bB1 ARG 80 HD2 0.20 -0.11 -0.13 -0.04 3.22 3.14 1w2bB1 ARG 80 HD3 0.14 0.12 -0.13 -0.04 3.22 3.31 1w2bB1 ALA 81 H 0.15 0.93 0.27 -0.55 8.40 9.20 1w2bB1 ALA 81 HA -0.03 0.11 0.62 -0.75 4.34 4.29 1w2bB1 ALA 81 HB3 -0.21 -0.03 0.07 -0.04 1.41 1.20 1w2bB1 VAL 82 H -0.02 0.34 0.33 -0.55 8.24 8.33 1w2bB1 VAL 82 HA 0.05 0.20 0.52 -0.75 4.13 4.15 1w2bB1 VAL 82 HB -0.04 -0.03 -0.03 -0.04 2.12 1.98 1w2bB1 VAL 82 HG13 0.37 -0.03 -0.10 -0.04 0.97 1.18 1w2bB1 VAL 82 HG23 0.41 0.08 -0.06 -0.04 0.95 1.33 1w2bB1 ALA 83 H -0.36 0.35 0.10 -0.55 8.40 7.94 1w2bB1 ALA 83 HA -0.43 0.30 0.63 -0.75 4.34 4.09 1w2bB1 ALA 83 HB3 -1.90 -0.03 -0.18 -0.04 1.41 -0.74 1w2bB1 LEU 84 H -0.26 0.57 0.30 -0.55 8.37 8.43 1w2bB1 LEU 84 HA -0.15 0.24 1.10 -0.75 4.35 4.80 1w2bB1 LEU 84 HB2 -0.11 0.01 -0.10 -0.04 1.64 1.41 1w2bB1 LEU 84 HB3 -0.06 -0.10 0.20 -0.04 1.64 1.63 1w2bB1 LEU 84 HG -0.06 -0.05 -0.06 -0.04 1.64 1.43 1w2bB1 LEU 84 HD13 -0.02 -0.02 -0.35 -0.04 0.93 0.50 1w2bB1 LEU 84 HD23 -0.08 0.05 -0.01 -0.04 0.89 0.82 1w2bB1 ARG 85 H -0.07 0.92 0.41 -0.55 8.46 9.17 1w2bB1 ARG 85 HA -0.04 0.21 1.10 -0.75 4.34 4.86 1w2bB1 ARG 85 HB2 -0.04 -0.06 -0.11 -0.04 1.90 1.65 1w2bB1 ARG 85 HB3 -0.00 0.02 -0.01 -0.04 1.80 1.76 1w2bB1 ARG 85 HG2 -0.45 -0.01 -0.38 -0.04 1.67 0.79 1w2bB1 ARG 85 HG3 -0.21 0.01 -0.04 -0.04 1.67 1.39 1w2bB1 ARG 85 HD2 -0.00 -0.01 -0.17 -0.04 3.22 2.99 1w2bB1 ARG 85 HD3 -0.37 0.01 -0.15 -0.04 3.22 2.66 1w2bB1 ALA 86 H -0.07 0.56 0.40 -0.55 8.40 8.74 1w2bB1 ALA 86 HA 0.06 0.24 1.05 -0.75 4.34 4.93 1w2bB1 ALA 86 HB3 0.01 -0.02 0.05 -0.04 1.41 1.41 1w2bB1 TYR 87 H 0.24 0.44 0.20 -0.55 8.29 8.62 1w2bB1 TYR 87 HA 0.03 0.29 0.97 -0.75 4.56 5.10 1w2bB1 TYR 87 HB2 0.01 0.06 -0.09 -0.04 3.06 3.00 1w2bB1 TYR 87 HB3 0.03 -0.05 -0.05 -0.04 2.98 2.87 1w2bB1 TYR 87 HD2 0.02 0.08 -0.33 -0.04 7.15 6.88 1w2bB1 TYR 87 HE2 0.02 0.01 -0.25 -0.04 6.85 6.59 1w2bB1 GLU 88 H 0.15 0.50 0.29 -0.55 8.60 8.99 1w2bB1 GLU 88 HA 0.09 0.21 1.05 -0.75 4.29 4.88 1w2bB1 GLU 88 HB2 0.06 0.04 -0.03 -0.04 2.09 2.12 1w2bB1 GLU 88 HB3 0.06 -0.05 -0.14 -0.04 1.99 1.81 1w2bB1 GLU 88 HG2 0.06 0.07 -0.01 -0.04 2.34 2.42 1w2bB1 GLU 88 HG3 0.08 -0.02 -0.18 -0.04 2.34 2.18 1w2bB1 ASP 89 H 0.07 1.02 0.29 -0.55 8.40 9.23 1w2bB1 ASP 89 HA 0.07 0.01 0.59 -0.75 4.63 4.55 1w2bB1 ASP 89 HB2 0.04 0.06 0.18 -0.04 2.71 2.96 1w2bB1 ASP 89 HB3 0.03 -0.02 -0.01 -0.04 2.70 2.66 1w2bB1 THR 90 H 0.08 0.61 0.44 -0.55 8.28 8.87 1w2bB1 THR 90 HA 0.07 0.22 0.97 -0.75 4.39 4.91 1w2bB1 THR 90 HB 0.19 -0.02 0.07 -0.04 4.32 4.51 1w2bB1 THR 90 HG23 0.09 0.07 -0.17 -0.04 1.22 1.17 1w2bB1 PRO 91 HA -0.12 0.08 0.38 -0.51 4.44 4.27 1w2bB1 PRO 91 HB2 -0.37 0.02 0.06 -0.04 2.28 1.95 1w2bB1 PRO 91 HB3 -0.22 0.02 0.17 -0.04 2.02 1.95 1w2bB1 PRO 91 HG2 0.00 0.03 0.09 -0.04 2.03 2.10 1w2bB1 PRO 91 HG3 -0.03 0.05 0.07 -0.04 2.03 2.08 1w2bB1 PRO 91 HD2 0.13 0.10 0.18 -0.04 3.68 4.05 1w2bB1 PRO 91 HD3 0.05 0.21 0.24 -0.04 3.65 4.11 1w2bB1 TYR 92 H 0.11 0.13 -1.05 -0.55 8.29 6.94 1w2bB1 TYR 92 HA 0.02 0.17 0.83 -0.75 4.56 4.83 1w2bB1 TYR 92 HB2 0.03 0.01 -0.09 -0.04 3.06 2.97 1w2bB1 TYR 92 HB3 0.03 -0.00 0.11 -0.04 2.98 3.07 1w2bB1 TYR 92 HD2 0.02 -0.01 -0.09 -0.04 7.15 7.03 1w2bB1 TYR 92 HE2 0.02 -0.02 -0.04 -0.04 6.85 6.76 1w2bB1 GLY 93 H 0.05 0.61 0.23 -0.55 8.43 8.77 1w2bB1 GLY 93 HA2 0.04 -0.01 0.32 -0.51 4.01 3.86 1w2bB1 GLY 93 HA3 0.08 0.19 0.91 -0.51 4.01 4.67 1w2bB1 GLN 94 H 0.07 0.15 0.18 -0.55 8.47 8.33 1w2bB1 GLN 94 HA 0.12 0.23 0.88 -0.75 4.36 4.84 1w2bB1 GLN 94 HB2 0.03 0.02 0.03 -0.04 2.15 2.19 1w2bB1 GLN 94 HB3 0.10 -0.01 -0.04 -0.04 2.02 2.03 1w2bB1 GLN 94 HG2 0.03 0.02 -0.10 -0.04 2.40 2.32 1w2bB1 GLN 94 HG3 0.02 -0.04 -0.01 -0.04 2.39 2.32 1w2bB1 GLN 94 HE21 -0.07 -0.04 -0.00 -0.04 6.97 6.82 1w2bB1 GLN 94 HE22 -0.01 0.02 -0.03 -0.04 7.69 7.63 1w2bB1 ARG 95 H 0.21 0.30 0.28 -0.55 8.46 8.70 1w2bB1 ARG 95 HA 0.17 0.18 0.79 -0.75 4.34 4.73 1w2bB1 ARG 95 HB2 0.08 -0.01 0.01 -0.04 1.90 1.94 1w2bB1 ARG 95 HB3 0.06 0.06 0.06 -0.04 1.80 1.94 1w2bB1 ARG 95 HG2 0.11 0.15 -0.29 -0.04 1.67 1.60 1w2bB1 ARG 95 HG3 0.12 -0.03 -0.50 -0.04 1.67 1.22 1w2bB1 ARG 95 HD2 0.06 -0.03 -0.10 -0.04 3.22 3.12 1w2bB1 ARG 95 HD3 0.04 0.01 -0.05 -0.04 3.22 3.18 1w2bB1 PRO 96 HA -0.65 0.06 0.41 -0.51 4.44 3.76 1w2bB1 PRO 96 HB2 -0.08 0.04 -0.04 -0.04 2.28 2.15 1w2bB1 PRO 96 HB3 -0.23 -0.01 -0.03 -0.04 2.02 1.71 1w2bB1 PRO 96 HG2 -0.01 0.04 0.01 -0.04 2.03 2.02 1w2bB1 PRO 96 HG3 -0.13 0.03 -0.03 -0.04 2.03 1.86 1w2bB1 PRO 96 HD2 0.02 0.11 0.18 -0.04 3.68 3.94 1w2bB1 PRO 96 HD3 0.11 0.16 0.17 -0.04 3.65 4.04 1w2bB1 LEU 97 H -0.18 0.86 0.45 -0.55 8.37 8.95 1w2bB1 LEU 97 HA -0.01 0.15 0.88 -0.75 4.35 4.62 1w2bB1 LEU 97 HB2 -0.01 -0.01 -0.21 -0.04 1.64 1.38 1w2bB1 LEU 97 HB3 -0.01 -0.20 0.12 -0.04 1.64 1.52 1w2bB1 LEU 97 HG 0.02 0.01 -0.07 -0.04 1.64 1.56 1w2bB1 LEU 97 HD13 0.03 -0.00 -0.14 -0.04 0.93 0.77 1w2bB1 LEU 97 HD23 0.02 -0.02 -0.15 -0.04 0.89 0.70 1w2bB1 THR 98 H -0.02 0.24 0.32 -0.55 8.28 8.26 1w2bB1 THR 98 HA 0.05 0.19 0.71 -0.75 4.39 4.59 1w2bB1 THR 98 HB 0.05 -0.00 -0.09 -0.04 4.32 4.24 1w2bB1 THR 98 HG23 0.09 -0.04 0.14 -0.04 1.22 1.37 1w2bB1 GLU 99 H 0.18 0.22 0.20 -0.55 8.60 8.65 1w2bB1 GLU 99 HA 0.08 0.45 1.16 -0.75 4.29 5.23 1w2bB1 GLU 99 HB2 0.46 -0.04 -0.03 -0.04 2.09 2.44 1w2bB1 GLU 99 HB3 0.24 0.01 -0.15 -0.04 1.99 2.05 1w2bB1 GLU 99 HG2 0.06 0.00 -0.17 -0.04 2.34 2.19 1w2bB1 GLU 99 HG3 0.09 -0.10 -0.62 -0.04 2.34 1.67 1w2bB1 VAL 100 H 0.05 0.66 0.34 -0.55 8.24 8.74 1w2bB1 VAL 100 HA 0.39 0.06 0.92 -0.75 4.13 4.75 1w2bB1 VAL 100 HB 0.02 -0.02 0.21 -0.04 2.12 2.30 1w2bB1 VAL 100 HG13 0.06 0.02 -0.05 -0.04 0.97 0.96 1w2bB1 VAL 100 HG23 0.06 -0.01 -0.11 -0.04 0.95 0.85 1w2bB1 TRP 101 H 0.87 0.06 0.06 -0.55 7.97 8.41 1w2bB1 TRP 101 HA 0.09 0.29 0.98 -0.75 4.62 5.22 1w2bB1 TRP 101 HB2 -0.14 -0.06 0.03 -0.04 3.23 3.02 1w2bB1 TRP 101 HB3 0.16 -0.02 0.19 -0.04 3.23 3.51 1w2bB1 TRP 101 HD1 -0.13 -0.04 -0.44 -0.04 7.22 6.57 1w2bB1 TRP 101 HE1 -0.06 -0.02 -0.18 -0.04 10.20 9.90 1w2bB1 TRP 101 HE3 0.34 0.07 -0.05 -0.04 7.59 7.90 1w2bB1 TRP 101 HZ2 -0.02 -0.01 -0.14 -0.04 7.44 7.24 1w2bB1 TRP 101 HZ3 0.02 -0.00 -0.12 -0.04 7.13 6.98 1w2bB1 TRP 101 HH2 -0.01 0.00 -0.13 -0.04 7.19 7.01 1w2bB1 THR 102 H 0.44 0.17 0.11 -0.55 8.28 8.46 1w2bB1 THR 102 HA 0.07 0.17 0.89 -0.75 4.39 4.76 1w2bB1 THR 102 HB -0.13 -0.19 0.19 -0.04 4.32 4.14 1w2bB1 THR 102 HG23 -0.01 0.07 -0.35 -0.04 1.22 0.88 1w2bB1 ASP 103 H -0.19 0.09 0.18 -0.55 8.40 7.93 1w2bB1 ASP 103 HA -0.13 0.21 0.85 -0.75 4.63 4.80 1w2bB1 ASP 103 HB2 -0.07 0.01 0.03 -0.04 2.71 2.64 1w2bB1 ASP 103 HB3 -0.02 0.01 0.06 -0.04 2.70 2.71 1w2bB1 GLU 104 H -0.22 0.04 0.19 -0.55 8.60 8.07 1w2bB1 GLU 104 HA -0.09 0.05 0.61 -0.75 4.29 4.10 1w2bB1 GLU 104 HB2 -0.08 0.09 0.26 -0.04 2.09 2.31 1w2bB1 GLU 104 HB3 -0.03 0.02 0.08 -0.04 1.99 2.02 1w2bB1 GLU 104 HG2 -0.03 -0.02 0.07 -0.04 2.34 2.32 1w2bB1 GLU 104 HG3 -0.06 -0.09 0.15 -0.04 2.34 2.29 1w2bB1 PHE 105 H 0.10 0.20 0.23 -0.55 8.34 8.32 1w2bB1 PHE 105 HA 0.15 0.21 0.81 -0.75 4.62 5.03 1w2bB1 PHE 105 HB2 0.06 0.02 -0.02 -0.04 3.15 3.16 1w2bB1 PHE 105 HB3 0.09 -0.09 0.05 -0.04 3.06 3.06 1w2bB1 PHE 105 HD2 0.13 0.00 -0.06 -0.04 7.28 7.31 1w2bB1 PHE 105 HE2 0.30 0.06 -0.05 -0.04 7.38 7.64 1w2bB1 PHE 105 HZ 0.16 -0.02 -0.04 -0.04 7.32 7.38 1w2bB1 HIS 106 H 0.39 0.13 0.09 -0.55 8.41 8.47 1w2bB1 HIS 106 HA 0.14 0.14 0.53 -0.75 4.63 4.68 1w2bB1 HIS 106 HB2 0.27 0.12 0.04 -0.04 3.26 3.64 1w2bB1 HIS 106 HB3 0.16 -0.02 0.05 -0.04 3.20 3.35 1w2bB1 HIS 106 HD2 0.11 0.08 0.00 -0.04 6.97 7.11 1w2bB1 HIS 106 HE1 0.05 0.10 -0.05 -0.04 7.75 7.81 1w2bB1 SER 107 H -0.75 0.17 0.16 -0.55 8.46 7.49 1w2bB1 SER 107 HA -0.12 0.09 0.32 -0.75 4.49 4.04 1w2bB1 SER 107 HB2 -0.12 0.03 0.08 -0.04 3.95 3.89 1w2bB1 SER 107 HB3 -0.23 0.02 0.15 -0.04 3.93 3.84 1w2bB1 GLU 108 H 0.27 0.04 -0.54 -0.55 8.60 7.82 1w2bB1 GLU 108 HA 0.06 0.21 0.93 -0.75 4.29 4.74 1w2bB1 GLU 108 HB2 0.28 0.04 0.05 -0.04 2.09 2.42 1w2bB1 GLU 108 HB3 0.09 -0.01 0.11 -0.04 1.99 2.15 1w2bB1 GLU 108 HG2 0.04 0.09 -0.13 -0.04 2.34 2.31 1w2bB1 GLU 108 HG3 0.06 -0.13 -0.47 -0.04 2.34 1.76 1w2bB1 LEU 109 H 0.09 0.47 -0.03 -0.55 8.37 8.35 1w2bB1 LEU 109 HA -0.05 0.20 0.72 -0.75 4.35 4.46 1w2bB1 LEU 109 HB2 -0.03 -0.04 0.08 -0.04 1.64 1.61 1w2bB1 LEU 109 HB3 -0.00 0.10 0.06 -0.04 1.64 1.75 1w2bB1 LEU 109 HG -0.12 -0.07 -0.03 -0.04 1.64 1.38 1w2bB1 LEU 109 HD13 -0.41 0.01 0.04 -0.04 0.93 0.53 1w2bB1 LEU 109 HD23 0.02 0.01 -0.02 -0.04 0.89 0.85 1w2bB1 ASP 110 H -0.01 0.15 -0.12 -0.55 8.40 7.88 1w2bB1 ASP 110 HA -0.07 0.23 0.54 -0.75 4.63 4.57 1w2bB1 ASP 110 HB2 -0.05 0.06 0.17 -0.04 2.71 2.85 1w2bB1 ASP 110 HB3 -0.06 -0.02 0.06 -0.04 2.70 2.65 1w2bB1 ARG 111 H -0.01 0.07 -0.85 -0.55 8.46 7.12 1w2bB1 ARG 111 HA -0.01 0.15 0.66 -0.75 4.34 4.39 1w2bB1 ARG 111 HB2 0.01 0.11 0.04 -0.04 1.90 2.02 1w2bB1 ARG 111 HB3 0.01 -0.03 0.06 -0.04 1.80 1.79 1w2bB1 ARG 111 HG2 0.01 0.01 -0.01 -0.04 1.67 1.64 1w2bB1 ARG 111 HG3 0.02 -0.09 -0.15 -0.04 1.67 1.40 1w2bB1 ARG 111 HD2 0.04 0.17 -0.05 -0.04 3.22 3.34 1w2bB1 ARG 111 HD3 0.02 -0.10 -0.03 -0.04 3.22 3.06 1w2bB1 THR 112 H -0.02 0.10 -0.10 -0.55 8.28 7.71 1w2bB1 THR 112 HA -0.00 0.21 0.95 -0.75 4.39 4.79 1w2bB1 THR 112 HB -0.01 -0.04 0.14 -0.04 4.32 4.37 1w2bB1 THR 112 HG23 0.02 -0.01 -0.02 -0.04 1.22 1.16 1w2bB1 LEU 113 H -0.04 0.31 0.23 -0.55 8.37 8.32 1w2bB1 LEU 113 HA -0.04 0.20 0.70 -0.75 4.35 4.45 1w2bB1 LEU 113 HB2 -0.11 -0.03 -0.10 -0.04 1.64 1.36 1w2bB1 LEU 113 HB3 -0.08 -0.05 -0.01 -0.04 1.64 1.45 1w2bB1 LEU 113 HG -0.02 -0.01 0.07 -0.04 1.64 1.64 1w2bB1 LEU 113 HD13 0.09 -0.00 -0.06 -0.04 0.93 0.91 1w2bB1 LEU 113 HD23 0.05 0.03 -0.16 -0.04 0.89 0.77 1w2bB1 ASP 114 H -0.13 0.17 -0.04 -0.55 8.40 7.86 1w2bB1 ASP 114 HA -0.11 0.19 0.73 -0.75 4.63 4.69 1w2bB1 ASP 114 HB2 -0.12 -0.04 0.12 -0.04 2.71 2.64 1w2bB1 ASP 114 HB3 -0.12 0.01 0.11 -0.04 2.70 2.65 1w2bB1 VAL 115 H -0.20 0.20 -0.36 -0.55 8.24 7.34 1w2bB1 VAL 115 HA -0.53 0.01 0.24 -0.75 4.13 3.10 1w2bB1 VAL 115 HB -0.20 -0.02 -0.01 -0.04 2.12 1.84 1w2bB1 VAL 115 HG13 -0.72 0.05 -0.23 -0.04 0.97 0.04 1w2bB1 VAL 115 HG23 -0.29 -0.00 -0.14 -0.04 0.95 0.48 1w2bB1 PRO 116 HA -0.20 -0.00 0.43 -0.51 4.44 4.16 1w2bB1 PRO 116 HB2 0.03 0.09 -0.00 -0.04 2.28 2.35 1w2bB1 PRO 116 HB3 -0.24 -0.04 -0.02 -0.04 2.02 1.69 1w2bB1 PRO 116 HG2 -0.91 -0.00 0.02 -0.04 2.03 1.09 1w2bB1 PRO 116 HG3 -0.73 0.06 0.04 -0.04 2.03 1.37 1w2bB1 PRO 116 HD2 -0.77 0.11 0.11 -0.04 3.68 3.10 1w2bB1 PRO 116 HD3 -0.66 0.06 0.08 -0.04 3.65 3.10 1w2bB1 GLU 117 H -0.05 0.01 0.20 -0.55 8.60 8.21 1w2bB1 GLU 117 HA 0.05 0.23 0.87 -0.75 4.29 4.69 1w2bB1 GLU 117 HB2 -0.01 -0.05 0.08 -0.04 2.09 2.07 1w2bB1 GLU 117 HB3 0.01 -0.03 0.07 -0.04 1.99 2.01 1w2bB1 GLU 117 HG2 -0.01 0.08 -0.10 -0.04 2.34 2.28 1w2bB1 GLU 117 HG3 -0.04 0.08 -0.05 -0.04 2.34 2.29 1w2bB1 ASP 118 H 0.00 0.01 0.07 -0.55 8.40 7.94 1w2bB1 ASP 118 HA 0.05 0.17 0.75 -0.75 4.63 4.85 1w2bB1 ASP 118 HB2 0.01 -0.04 0.11 -0.04 2.71 2.75 1w2bB1 ASP 118 HB3 0.02 -0.00 0.01 -0.04 2.70 2.69 1w2bB1 HIS 119 H 0.13 0.30 0.08 -0.55 8.41 8.37 1w2bB1 HIS 119 HA -0.00 0.15 0.86 -0.75 4.63 4.88 1w2bB1 HIS 119 HB2 -0.00 0.02 -0.14 -0.04 3.26 3.09 1w2bB1 HIS 119 HB3 0.08 0.08 -0.05 -0.04 3.20 3.27 1w2bB1 HIS 119 HD2 0.25 0.11 -0.13 -0.04 6.97 7.15 1w2bB1 HIS 119 HE1 0.13 0.09 0.09 -0.04 7.75 8.02 1w2bB1 ASP 120 H -0.28 0.20 0.09 -0.55 8.40 7.85 1w2bB1 ASP 120 HA -0.12 0.27 0.97 -0.75 4.63 4.99 1w2bB1 ASP 120 HB2 -0.05 0.09 -0.01 -0.04 2.71 2.70 1w2bB1 ASP 120 HB3 -0.09 -0.00 0.23 -0.04 2.70 2.79 1w2bB1 PRO 121 HA -0.14 0.07 0.50 -0.51 4.44 4.35 1w2bB1 PRO 121 HB2 -0.02 -0.03 0.12 -0.04 2.28 2.31 1w2bB1 PRO 121 HB3 0.02 0.13 0.08 -0.04 2.02 2.21 1w2bB1 PRO 121 HG2 0.03 0.12 0.02 -0.04 2.03 2.16 1w2bB1 PRO 121 HG3 0.06 0.08 -0.04 -0.04 2.03 2.09 1w2bB1 PRO 121 HD2 -0.07 0.08 0.18 -0.04 3.68 3.84 1w2bB1 PRO 121 HD3 -0.13 0.38 -0.31 -0.04 3.65 3.55 1w2bB1 ASP 122 H -0.05 0.21 -0.01 -0.55 8.40 8.01 1w2bB1 ASP 122 HA -0.01 0.08 0.34 -0.75 4.63 4.29 1w2bB1 ASP 122 HB2 -0.02 0.00 0.00 -0.04 2.71 2.65 1w2bB1 ASP 122 HB3 -0.01 0.05 0.04 -0.04 2.70 2.73 1w2bB1 ALA 123 H -0.05 0.12 -0.47 -0.55 8.40 7.46 1w2bB1 ALA 123 HA -0.01 0.07 0.43 -0.75 4.34 4.07 1w2bB1 ALA 123 HB3 -0.02 0.05 0.08 -0.04 1.41 1.48 1w2bB1 ALA 124 H -0.04 0.42 0.06 -0.55 8.40 8.29 1w2bB1 ALA 124 HA 0.04 0.01 0.38 -0.75 4.34 4.02 1w2bB1 ALA 124 HB3 0.08 -0.01 0.05 -0.04 1.41 1.49 1w2bB1 GLU 125 H 0.01 0.86 -0.01 -0.55 8.60 8.91 1w2bB1 GLU 125 HA 0.02 -0.01 0.27 -0.75 4.29 3.82 1w2bB1 GLU 125 HB2 0.01 -0.01 0.01 -0.04 2.09 2.06 1w2bB1 GLU 125 HB3 0.00 0.06 0.06 -0.04 1.99 2.07 1w2bB1 GLU 125 HG2 0.01 -0.02 -0.21 -0.04 2.34 2.07 1w2bB1 GLU 125 HG3 0.00 -0.02 0.01 -0.04 2.34 2.29 1w2bB1 GLU 126 H 0.01 0.39 -0.57 -0.55 8.60 7.88 1w2bB1 GLU 126 HA 0.01 -0.06 0.45 -0.75 4.29 3.95 1w2bB1 GLU 126 HB2 0.00 0.15 0.21 -0.04 2.09 2.41 1w2bB1 GLU 126 HB3 0.01 0.13 0.30 -0.04 1.99 2.39 1w2bB1 GLU 126 HG2 0.01 -0.03 -0.13 -0.04 2.34 2.15 1w2bB1 GLU 126 HG3 0.01 -0.05 0.03 -0.04 2.34 2.29 1w2bB1 GLN 127 H 0.02 0.85 0.19 -0.55 8.47 8.97 1w2bB1 GLN 127 HA 0.02 -0.04 0.32 -0.75 4.36 3.90 1w2bB1 GLN 127 HB2 0.02 -0.03 0.10 -0.04 2.15 2.21 1w2bB1 GLN 127 HB3 0.03 0.08 0.09 -0.04 2.02 2.17 1w2bB1 GLN 127 HG2 0.02 -0.01 -0.16 -0.04 2.40 2.22 1w2bB1 GLN 127 HG3 0.02 -0.04 0.05 -0.04 2.39 2.38 1w2bB1 GLN 127 HE21 0.02 0.01 -0.02 -0.04 6.97 6.93 1w2bB1 GLN 127 HE22 0.02 -0.02 -0.02 -0.04 7.69 7.63 1w2bB1 ILE 128 H 0.03 0.44 -0.81 -0.55 8.25 7.35 1w2bB1 ILE 128 HA 0.04 0.04 0.46 -0.75 4.18 3.95 1w2bB1 ILE 128 HB 0.02 0.23 0.16 -0.04 1.89 2.27 1w2bB1 ILE 128 HG12 0.02 -0.07 -0.08 -0.04 1.49 1.32 1w2bB1 ILE 128 HG13 0.03 0.20 -0.17 -0.04 1.21 1.23 1w2bB1 ILE 128 HG23 0.02 -0.02 -0.20 -0.04 0.93 0.68 1w2bB1 ILE 128 HD13 0.02 -0.02 -0.21 -0.04 0.88 0.63 1w2bB1 ARG 129 H 0.03 0.68 0.22 -0.55 8.46 8.84 1w2bB1 ARG 129 HA 0.10 -0.02 0.44 -0.75 4.34 4.11 1w2bB1 ARG 129 HB2 0.04 0.07 0.21 -0.04 1.90 2.17 1w2bB1 ARG 129 HB3 0.06 -0.06 0.06 -0.04 1.80 1.81 1w2bB1 ARG 129 HG2 0.03 -0.06 0.07 -0.04 1.67 1.66 1w2bB1 ARG 129 HG3 0.02 0.29 0.14 -0.04 1.67 2.08 1w2bB1 ARG 129 HD2 0.02 -0.00 -0.03 -0.04 3.22 3.17 1w2bB1 ARG 129 HD3 0.03 -0.02 0.01 -0.04 3.22 3.19 1w2bB1 ASP 130 H 0.03 0.74 -0.10 -0.55 8.40 8.53 1w2bB1 ASP 130 HA 0.02 -0.02 0.38 -0.75 4.63 4.25 1w2bB1 ASP 130 HB2 0.02 0.12 -0.03 -0.04 2.71 2.78 1w2bB1 ASP 130 HB3 0.02 -0.03 -0.00 -0.04 2.70 2.64 1w2bB1 ALA 131 H 0.05 0.35 -0.60 -0.55 8.40 7.66 1w2bB1 ALA 131 HA 0.04 -0.01 0.44 -0.75 4.34 4.05 1w2bB1 ALA 131 HB3 0.05 0.09 0.16 -0.04 1.41 1.67 1w2bB1 HIS 132 H 0.14 0.46 -0.12 -0.55 8.41 8.34 1w2bB1 HIS 132 HA 0.01 -0.04 0.58 -0.75 4.63 4.43 1w2bB1 HIS 132 HB2 0.01 -0.02 0.07 -0.04 3.26 3.29 1w2bB1 HIS 132 HB3 0.01 0.16 0.25 -0.04 3.20 3.57 1w2bB1 HIS 132 HD2 0.01 0.03 0.10 -0.04 6.97 7.06 1w2bB1 HIS 132 HE1 0.00 -0.06 -0.01 -0.04 7.75 7.64 1w2bB1 GLU 133 H 0.01 0.59 0.03 -0.55 8.60 8.68 1w2bB1 GLU 133 HA -0.20 -0.01 0.40 -0.75 4.29 3.72 1w2bB1 GLU 133 HB2 -0.02 0.17 0.18 -0.04 2.09 2.38 1w2bB1 GLU 133 HB3 -0.04 -0.03 -0.00 -0.04 1.99 1.87 1w2bB1 GLU 133 HG2 -0.04 -0.04 0.04 -0.04 2.34 2.26 1w2bB1 GLU 133 HG3 -0.00 0.07 -0.02 -0.04 2.34 2.35 1w2bB1 ALA 134 H -0.02 0.36 -0.32 -0.55 8.40 7.87 1w2bB1 ALA 134 HA -0.02 0.08 0.58 -0.75 4.34 4.23 1w2bB1 ALA 134 HB3 0.00 -0.00 0.09 -0.04 1.41 1.46 1w2bB1 GLY 135 H -0.04 0.33 -0.51 -0.55 8.43 7.66 1w2bB1 GLY 135 HA2 0.02 0.02 0.39 -0.51 4.01 3.93 1w2bB1 GLY 135 HA3 -0.01 0.03 0.40 -0.51 4.01 3.93 1w2bB1 ASP 136 H 0.04 0.35 -0.01 -0.55 8.40 8.23 1w2bB1 ASP 136 HA 0.04 0.20 0.81 -0.75 4.63 4.92 1w2bB1 ASP 136 HB2 0.04 0.00 0.05 -0.04 2.71 2.76 1w2bB1 ASP 136 HB3 0.05 -0.01 0.14 -0.04 2.70 2.83 1w2bB1 LEU 137 H 0.08 0.07 -0.06 -0.55 8.37 7.92 1w2bB1 LEU 137 HA 0.08 0.12 0.52 -0.75 4.35 4.31 1w2bB1 LEU 137 HB2 0.12 -0.03 -0.20 -0.04 1.64 1.49 1w2bB1 LEU 137 HB3 0.14 -0.06 0.07 -0.04 1.64 1.76 1w2bB1 LEU 137 HG 0.03 0.15 -0.27 -0.04 1.64 1.52 1w2bB1 LEU 137 HD13 0.05 0.04 0.02 -0.04 0.93 1.00 1w2bB1 LEU 137 HD23 -0.04 -0.04 -0.08 -0.04 0.89 0.69 1w2bB1 GLY 138 H 0.10 1.00 0.35 -0.55 8.43 9.33 1w2bB1 GLY 138 HA2 0.04 0.10 0.63 -0.51 4.01 4.28 1w2bB1 GLY 138 HA3 0.09 -0.07 0.13 -0.51 4.01 3.64 1w2bB1 ASP 139 H -0.03 0.06 0.09 -0.55 8.40 7.98 1w2bB1 ASP 139 HA -0.04 0.02 0.32 -0.75 4.63 4.17 1w2bB1 ASP 139 HB2 -0.12 0.04 0.06 -0.04 2.71 2.65 1w2bB1 ASP 139 HB3 -0.08 0.00 0.11 -0.04 2.70 2.70 1w2bB1 LEU 140 H -0.08 0.16 0.21 -0.55 8.37 8.13 1w2bB1 LEU 140 HA 0.06 0.27 1.08 -0.75 4.35 5.01 1w2bB1 LEU 140 HB2 -0.06 0.00 0.11 -0.04 1.64 1.65 1w2bB1 LEU 140 HB3 -0.04 0.02 0.02 -0.04 1.64 1.60 1w2bB1 LEU 140 HG -0.04 -0.04 -0.08 -0.04 1.64 1.45 1w2bB1 LEU 140 HD13 -0.05 -0.02 -0.09 -0.04 0.93 0.73 1w2bB1 LEU 140 HD23 0.01 0.05 -0.03 -0.04 0.89 0.88 1w2bB1 ARG 141 H 0.03 0.55 0.32 -0.55 8.46 8.80 1w2bB1 ARG 141 HA -0.18 0.11 0.95 -0.75 4.34 4.46 1w2bB1 ARG 141 HB2 0.09 -0.06 -0.18 -0.04 1.90 1.71 1w2bB1 ARG 141 HB3 -0.11 0.16 -0.29 -0.04 1.80 1.51 1w2bB1 ARG 141 HG2 -0.34 -0.01 -0.40 -0.04 1.67 0.88 1w2bB1 ARG 141 HG3 -0.05 -0.03 -0.56 -0.04 1.67 0.99 1w2bB1 ARG 141 HD2 0.10 -0.01 -0.30 -0.04 3.22 2.97 1w2bB1 ARG 141 HD3 -0.18 0.02 -0.37 -0.04 3.22 2.65 1w2bB1 LEU 142 H -0.13 0.71 0.29 -0.55 8.37 8.69 1w2bB1 LEU 142 HA -0.14 0.18 1.19 -0.75 4.35 4.82 1w2bB1 LEU 142 HB2 -0.13 -0.05 0.07 -0.04 1.64 1.49 1w2bB1 LEU 142 HB3 -0.15 0.12 0.04 -0.04 1.64 1.60 1w2bB1 LEU 142 HG -0.15 -0.07 -0.18 -0.04 1.64 1.19 1w2bB1 LEU 142 HD13 -0.21 -0.01 -0.08 -0.04 0.93 0.59 1w2bB1 LEU 142 HD23 -0.15 -0.02 -0.12 -0.04 0.89 0.56 1w2bB1 ILE 143 H -0.23 0.25 0.10 -0.55 8.25 7.83 1w2bB1 ILE 143 HA -0.02 0.05 0.43 -0.75 4.18 3.88 1w2bB1 ILE 143 HB -0.47 -0.11 0.03 -0.04 1.89 1.30 1w2bB1 ILE 143 HG12 -0.19 -0.05 -0.15 -0.04 1.49 1.06 1w2bB1 ILE 143 HG13 -0.07 0.01 -0.14 -0.04 1.21 0.97 1w2bB1 ILE 143 HG23 0.03 0.02 -0.20 -0.04 0.93 0.74 1w2bB1 ILE 143 HD13 0.05 0.01 -0.17 -0.04 0.88 0.74 1w2bB1 THR 144 H 0.05 0.47 0.26 -0.55 8.28 8.51 1w2bB1 THR 144 HA 0.05 0.19 1.07 -0.75 4.39 4.95 1w2bB1 THR 144 HB 0.09 0.17 0.09 -0.04 4.32 4.64 1w2bB1 THR 144 HG23 0.13 -0.01 -0.11 -0.04 1.22 1.18 1w2bB1 HIS 145 H -0.04 0.30 0.29 -0.55 8.41 8.42 1w2bB1 HIS 145 HA 0.04 0.31 0.84 -0.75 4.63 5.06 1w2bB1 HIS 145 HB2 0.05 0.01 -0.11 -0.04 3.26 3.18 1w2bB1 HIS 145 HB3 0.07 -0.05 -0.30 -0.04 3.20 2.88 1w2bB1 HIS 145 HD2 0.11 0.01 -0.04 -0.04 6.97 7.01 1w2bB1 HIS 145 HE1 -0.02 -0.08 -0.13 -0.04 7.75 7.49 1w2bB1 THR 146 H 0.13 0.41 0.29 -0.55 8.28 8.56 1w2bB1 THR 146 HA -0.11 0.17 0.80 -0.75 4.39 4.50 1w2bB1 THR 146 HB 0.16 0.02 0.01 -0.04 4.32 4.47 1w2bB1 THR 146 HG23 -0.13 0.04 -0.06 -0.04 1.22 1.02 1w2bB1 VAL 147 H 0.01 0.24 0.03 -0.55 8.24 7.98 1w2bB1 VAL 147 HA -0.07 0.25 0.98 -0.75 4.13 4.54 1w2bB1 VAL 147 HB -0.04 0.08 0.19 -0.04 2.12 2.32 1w2bB1 VAL 147 HG13 -0.17 -0.07 0.01 -0.04 0.97 0.71 1w2bB1 VAL 147 HG23 -0.12 0.01 -0.13 -0.04 0.95 0.66 1w2bB1 PRO 148 HA -0.31 0.01 0.36 -0.51 4.44 3.99 1w2bB1 PRO 148 HB2 -0.09 0.08 -0.29 -0.04 2.28 1.94 1w2bB1 PRO 148 HB3 -0.28 0.07 -0.08 -0.04 2.02 1.70 1w2bB1 PRO 148 HG2 0.03 0.20 -0.34 -0.04 2.03 1.87 1w2bB1 PRO 148 HG3 0.07 -0.05 -0.10 -0.04 2.03 1.90 1w2bB1 PRO 148 HD2 -0.00 0.31 -0.02 -0.04 3.68 3.92 1w2bB1 PRO 148 HD3 0.09 0.06 -0.71 -0.04 3.65 3.05 1w2bB1 ASP 149 H -0.05 0.04 -0.41 -0.55 8.40 7.43 1w2bB1 ASP 149 HA -0.03 0.21 0.33 -0.75 4.63 4.38 1w2bB1 ASP 149 HB2 0.04 -0.01 0.09 -0.04 2.71 2.79 1w2bB1 ASP 149 HB3 0.05 -0.06 -0.03 -0.04 2.70 2.61 1w2bB1 ALA 150 H -0.03 0.65 -0.30 -0.55 8.40 8.19 1w2bB1 ALA 150 HA 0.02 0.05 0.59 -0.75 4.34 4.25 1w2bB1 ALA 150 HB3 0.02 -0.02 0.11 -0.04 1.41 1.48 1w2bB1 VAL 151 H -0.06 0.53 -0.32 -0.55 8.24 7.84 1w2bB1 VAL 151 HA -0.01 0.12 0.94 -0.75 4.13 4.42 1w2bB1 VAL 151 HB -0.18 0.14 0.23 -0.04 2.12 2.27 1w2bB1 VAL 151 HG13 0.01 -0.07 -0.06 -0.04 0.97 0.82 1w2bB1 VAL 151 HG23 0.05 -0.01 -0.09 -0.04 0.95 0.85 1w2bB1 PRO 152 HA -0.06 0.14 0.35 -0.51 4.44 4.36 1w2bB1 PRO 152 HB2 -0.05 -0.06 0.10 -0.04 2.28 2.23 1w2bB1 PRO 152 HB3 -0.04 -0.01 0.05 -0.04 2.02 1.98 1w2bB1 PRO 152 HG2 -0.00 -0.02 0.08 -0.04 2.03 2.04 1w2bB1 PRO 152 HG3 -0.01 0.07 0.01 -0.04 2.03 2.05 1w2bB1 PRO 152 HD2 -0.01 -0.00 0.23 -0.04 3.68 3.86 1w2bB1 PRO 152 HD3 -0.01 0.52 -0.14 -0.04 3.65 3.99 1w2bB1 SER 153 H -0.14 0.05 -0.16 -0.55 8.46 7.67 1w2bB1 SER 153 HA -0.28 0.03 0.29 -0.75 4.49 3.78 1w2bB1 SER 153 HB2 -0.53 -0.04 -0.09 -0.04 3.95 3.25 1w2bB1 SER 153 HB3 -1.58 0.06 -0.17 -0.04 3.93 2.21 1w2bB1 VAL 154 H -0.19 0.23 -0.54 -0.55 8.24 7.19 1w2bB1 VAL 154 HA -0.14 0.13 0.84 -0.75 4.13 4.21 1w2bB1 VAL 154 HB -0.32 0.14 0.17 -0.04 2.12 2.07 1w2bB1 VAL 154 HG13 -0.26 -0.03 -0.08 -0.04 0.97 0.56 1w2bB1 VAL 154 HG23 -0.09 -0.05 -0.04 -0.04 0.95 0.73 1w2bB1 PRO 155 HA -0.06 0.04 0.35 -0.51 4.44 4.26 1w2bB1 PRO 155 HB2 -0.03 -0.10 0.12 -0.04 2.28 2.23 1w2bB1 PRO 155 HB3 -0.03 -0.04 0.08 -0.04 2.02 1.98 1w2bB1 PRO 155 HG2 -0.03 -0.01 0.13 -0.04 2.03 2.08 1w2bB1 PRO 155 HG3 -0.05 0.05 0.13 -0.04 2.03 2.13 1w2bB1 PRO 155 HD2 -0.05 0.02 0.25 -0.04 3.68 3.85 1w2bB1 PRO 155 HD3 -0.10 0.47 0.46 -0.04 3.65 4.45 1w2bB1 LYS 156 H -0.06 0.05 -0.15 -0.55 8.42 7.70 1w2bB1 LYS 156 HA -0.03 -0.08 0.38 -0.75 4.32 3.84 1w2bB1 LYS 156 HB2 -0.01 0.01 -0.02 -0.04 1.87 1.81 1w2bB1 LYS 156 HB3 -0.01 -0.03 0.07 -0.04 1.79 1.78 1w2bB1 LYS 156 HG2 -0.12 0.00 -0.08 -0.04 1.46 1.22 1w2bB1 LYS 156 HG3 -0.10 0.01 -0.23 -0.04 1.46 1.09 1w2bB1 LYS 156 HD2 0.03 -0.03 -0.00 -0.04 1.69 1.64 1w2bB1 LYS 156 HD3 0.03 0.06 -0.01 -0.04 1.68 1.71 1w2bB1 LYS 156 HE2 0.09 0.03 -0.09 -0.04 2.99 2.97 1w2bB1 LYS 156 HE3 0.05 0.01 -0.05 -0.04 2.99 2.96 1w2bB1 LYS 157 H -0.01 -0.14 0.22 -0.55 8.42 7.93 1w2bB1 LYS 157 HA -0.02 0.11 0.63 -0.75 4.32 4.28 1w2bB1 LYS 157 HB2 0.01 -0.05 0.06 -0.04 1.87 1.85 1w2bB1 LYS 157 HB3 0.03 -0.06 0.03 -0.04 1.79 1.75 1w2bB1 LYS 157 HG2 -0.00 0.09 -0.06 -0.04 1.46 1.44 1w2bB1 LYS 157 HG3 -0.01 0.10 -0.06 -0.04 1.46 1.45 1w2bB1 LYS 157 HD2 0.01 -0.05 0.01 -0.04 1.69 1.62 1w2bB1 LYS 157 HD3 0.02 -0.05 -0.01 -0.04 1.68 1.60 1w2bB1 LYS 157 HE2 0.00 0.05 -0.01 -0.04 2.99 2.99 1w2bB1 LYS 157 HE3 -0.01 0.06 0.00 -0.04 2.99 3.00 1w2bB1 LYS 158 H 0.00 -0.14 0.15 -0.55 8.42 7.88 1w2bB1 LYS 158 HA 0.02 0.07 0.41 -0.75 4.32 4.06 1w2bB1 LYS 158 HB2 0.01 -0.02 0.13 -0.04 1.87 1.95 1w2bB1 LYS 158 HB3 0.01 -0.06 0.13 -0.04 1.79 1.84 1w2bB1 LYS 158 HG2 0.02 0.10 -0.24 -0.04 1.46 1.30 1w2bB1 LYS 158 HG3 0.01 -0.01 -0.22 -0.04 1.46 1.20 1w2bB1 LYS 158 HD2 0.01 0.01 0.01 -0.04 1.69 1.68 1w2bB1 LYS 158 HD3 0.02 -0.06 -0.01 -0.04 1.68 1.58 1w2bB1 LYS 158 HE2 0.02 -0.05 -0.01 -0.04 2.99 2.90 1w2bB1 LYS 158 HE3 0.01 0.01 -0.03 -0.04 2.99 2.95 1w2bB1 PRO 159 HA 0.09 0.03 0.46 -0.51 4.44 4.51 1w2bB1 PRO 159 HB2 -0.04 -0.12 0.05 -0.04 2.28 2.13 1w2bB1 PRO 159 HB3 0.22 0.34 0.18 -0.04 2.02 2.72 1w2bB1 PRO 159 HG2 -0.07 -0.15 0.03 -0.04 2.03 1.80 1w2bB1 PRO 159 HG3 -0.02 0.07 0.17 -0.04 2.03 2.21 1w2bB1 PRO 159 HD2 -0.01 -0.11 0.31 -0.04 3.68 3.84 1w2bB1 PRO 159 HD3 0.02 0.21 0.34 -0.04 3.65 4.18 1w2bB1 ASP 160 H 0.14 0.11 0.18 -0.55 8.40 8.29 1w2bB1 ASP 160 HA 0.07 0.13 0.70 -0.75 4.63 4.78 1w2bB1 ASP 160 HB2 0.09 -0.08 0.15 -0.04 2.71 2.82 1w2bB1 ASP 160 HB3 0.04 0.04 -0.05 -0.04 2.70 2.69 1w2bB1 VAL 161 H 0.07 0.20 0.14 -0.55 8.24 8.09 1w2bB1 VAL 161 HA 0.13 0.28 1.18 -0.75 4.13 4.97 1w2bB1 VAL 161 HB 0.08 -0.03 0.15 -0.04 2.12 2.28 1w2bB1 VAL 161 HG13 0.12 0.01 -0.19 -0.04 0.97 0.87 1w2bB1 VAL 161 HG23 0.09 0.01 -0.12 -0.04 0.95 0.88 1w2bB1 MET 162 H 0.09 0.37 0.20 -0.55 8.47 8.58 1w2bB1 MET 162 HA 0.10 0.20 0.96 -0.75 4.52 5.02 1w2bB1 MET 162 HB2 0.13 0.06 -0.04 -0.04 2.15 2.26 1w2bB1 MET 162 HB3 0.06 0.04 -0.21 -0.04 2.03 1.89 1w2bB1 MET 162 HG2 0.13 -0.06 -0.22 -0.04 2.63 2.44 1w2bB1 MET 162 HG3 0.14 0.02 -0.23 -0.04 2.56 2.45 1w2bB1 MET 162 HE3 -0.03 0.02 -0.18 -0.04 2.10 1.87 1w2bB1 GLU 163 H 0.16 0.21 0.10 -0.55 8.60 8.52 1w2bB1 GLU 163 HA 0.08 0.16 0.76 -0.75 4.29 4.54 1w2bB1 GLU 163 HB2 0.12 -0.03 -0.04 -0.04 2.09 2.11 1w2bB1 GLU 163 HB3 0.20 0.03 0.05 -0.04 1.99 2.23 1w2bB1 GLU 163 HG2 0.08 0.05 -0.41 -0.04 2.34 2.02 1w2bB1 GLU 163 HG3 0.06 -0.05 -0.33 -0.04 2.34 1.97 1w2bB1 THR 164 H 0.03 0.53 0.24 -0.55 8.28 8.54 1w2bB1 THR 164 HA 0.17 0.19 0.84 -0.75 4.39 4.84 1w2bB1 THR 164 HB 0.02 -0.00 -0.02 -0.04 4.32 4.28 1w2bB1 THR 164 HG23 0.09 0.07 -0.22 -0.04 1.22 1.13 1w2bB1 ARG 165 H -2.21 0.19 0.10 -0.55 8.46 5.98 1w2bB1 ARG 165 HA -0.55 0.13 0.74 -0.75 4.34 3.91 1w2bB1 ARG 165 HB2 -1.95 0.01 -0.04 -0.04 1.90 -0.12 1w2bB1 ARG 165 HB3 -1.66 0.01 0.03 -0.04 1.80 0.14 1w2bB1 ARG 165 HG2 -0.41 -0.02 -0.28 -0.04 1.67 0.92 1w2bB1 ARG 165 HG3 -0.43 0.15 0.02 -0.04 1.67 1.38 1w2bB1 ARG 165 HD2 -0.54 -0.01 -0.14 -0.04 3.22 2.49 1w2bB1 ARG 165 HD3 -0.39 0.03 -0.11 -0.04 3.22 2.70 1w2bB1 VAL 166 H -0.28 0.75 0.33 -0.55 8.24 8.49 1w2bB1 VAL 166 HA -0.15 0.26 1.05 -0.75 4.13 4.53 1w2bB1 VAL 166 HB -0.11 -0.00 0.07 -0.04 2.12 2.04 1w2bB1 VAL 166 HG13 -0.01 -0.02 -0.30 -0.04 0.97 0.60 1w2bB1 VAL 166 HG23 -0.15 -0.02 -0.22 -0.04 0.95 0.51 1w2bB1 GLY 167 H -0.10 0.38 0.11 -0.55 8.43 8.26 1w2bB1 GLY 167 HA2 -0.08 0.10 0.86 -0.51 4.01 4.38 1w2bB1 GLY 167 HA3 -0.06 0.05 0.22 -0.51 4.01 3.70 1w2bB1 GLY 168 H -0.05 0.22 0.07 -0.55 8.43 8.13 1w2bB1 GLY 168 HA2 -0.07 0.42 0.38 -0.51 4.01 4.23 1w2bB1 GLY 168 HA3 -0.06 -0.15 0.12 -0.51 4.01 3.41 1w2bB1 GLY 169 H -0.07 0.05 -0.04 -0.55 8.43 7.82 1w2bB1 GLY 169 HA2 -0.04 0.25 0.29 -0.51 4.01 4.01 1w2bB1 GLY 169 HA3 -0.04 -0.11 0.39 -0.51 4.01 3.74 1w2bB1 SER 170 H -0.04 0.03 0.08 -0.55 8.46 7.99 1w2bB1 SER 170 HA -0.02 0.29 0.83 -0.75 4.49 4.84 1w2bB1 SER 170 HB2 0.00 0.07 0.11 -0.04 3.95 4.08 1w2bB1 SER 170 HB3 -0.01 0.09 0.09 -0.04 3.93 4.05 1w2bB1 VAL 171 H -0.03 0.27 0.15 -0.55 8.24 8.08 1w2bB1 VAL 171 HA -0.08 0.11 0.28 -0.75 4.13 3.69 1w2bB1 VAL 171 HB -0.25 0.05 -0.03 -0.04 2.12 1.85 1w2bB1 VAL 171 HG13 -0.03 0.05 0.04 -0.04 0.97 1.00 1w2bB1 VAL 171 HG23 -0.01 -0.03 0.11 -0.04 0.95 0.98 1w2bB1 SER 172 H -0.10 0.11 -0.20 -0.55 8.46 7.73 1w2bB1 SER 172 HA -0.17 0.07 0.31 -0.75 4.49 3.95 1w2bB1 SER 172 HB2 -0.00 -0.08 0.04 -0.04 3.95 3.87 1w2bB1 SER 172 HB3 0.01 0.05 -0.02 -0.04 3.93 3.93 1w2bB1 ASP 173 H -0.04 0.06 -0.25 -0.55 8.40 7.63 1w2bB1 ASP 173 HA -0.02 0.06 0.47 -0.75 4.63 4.38 1w2bB1 ASP 173 HB2 -0.04 -0.07 0.18 -0.04 2.71 2.74 1w2bB1 ASP 173 HB3 -0.05 0.03 -0.01 -0.04 2.70 2.63 1w2bB1 ARG 174 H -0.05 0.60 -0.09 -0.55 8.46 8.38 1w2bB1 ARG 174 HA 0.03 0.03 0.42 -0.75 4.34 4.07 1w2bB1 ARG 174 HB2 0.00 0.02 -0.11 -0.04 1.90 1.77 1w2bB1 ARG 174 HB3 -0.04 -0.14 -0.10 -0.04 1.80 1.48 1w2bB1 ARG 174 HG2 -0.05 0.04 -0.25 -0.04 1.67 1.37 1w2bB1 ARG 174 HG3 -0.05 0.07 -0.19 -0.04 1.67 1.46 1w2bB1 ARG 174 HD2 -0.06 0.28 -0.05 -0.04 3.22 3.35 1w2bB1 ARG 174 HD3 -0.05 -0.46 -0.00 -0.04 3.22 2.67 1w2bB1 LEU 175 H -0.05 0.66 -0.34 -0.55 8.37 8.08 1w2bB1 LEU 175 HA -0.05 0.01 0.34 -0.75 4.35 3.90 1w2bB1 LEU 175 HB2 -0.12 0.05 -0.00 -0.04 1.64 1.53 1w2bB1 LEU 175 HB3 -0.08 0.18 0.15 -0.04 1.64 1.84 1w2bB1 LEU 175 HG -0.05 -0.03 -0.06 -0.04 1.64 1.46 1w2bB1 LEU 175 HD13 -0.09 -0.01 -0.08 -0.04 0.93 0.70 1w2bB1 LEU 175 HD23 -0.03 -0.03 -0.42 -0.04 0.89 0.37 1w2bB1 ASP 176 H -0.02 0.48 -0.04 -0.55 8.40 8.27 1w2bB1 ASP 176 HA -0.01 -0.00 0.39 -0.75 4.63 4.25 1w2bB1 ASP 176 HB2 0.01 0.11 0.17 -0.04 2.71 2.95 1w2bB1 ASP 176 HB3 0.01 -0.03 -0.04 -0.04 2.70 2.60 1w2bB1 HIS 177 H 0.08 0.55 -0.21 -0.55 8.41 8.28 1w2bB1 HIS 177 HA -0.04 -0.02 0.27 -0.75 4.63 4.09 1w2bB1 HIS 177 HB2 -0.05 0.05 0.10 -0.04 3.26 3.32 1w2bB1 HIS 177 HB3 -0.06 0.22 0.12 -0.04 3.20 3.43 1w2bB1 HIS 177 HD2 -0.08 -0.08 -0.43 -0.04 6.97 6.34 1w2bB1 HIS 177 HE1 -0.05 -0.02 -0.01 -0.04 7.75 7.63 1w2bB1 ALA 178 H -0.03 0.60 -0.29 -0.55 8.40 8.13 1w2bB1 ALA 178 HA -0.25 -0.02 0.33 -0.75 4.34 3.66 1w2bB1 ALA 178 HB3 -0.10 0.04 0.05 -0.04 1.41 1.36 1w2bB1 LEU 179 H -0.06 0.48 -0.01 -0.55 8.37 8.24 1w2bB1 LEU 179 HA -0.05 -0.06 0.28 -0.75 4.35 3.77 1w2bB1 LEU 179 HB2 -0.02 0.16 0.11 -0.04 1.64 1.85 1w2bB1 LEU 179 HB3 -0.02 -0.08 0.03 -0.04 1.64 1.53 1w2bB1 LEU 179 HG -0.03 0.18 0.06 -0.04 1.64 1.81 1w2bB1 LEU 179 HD13 -0.01 -0.03 -0.04 -0.04 0.93 0.81 1w2bB1 LEU 179 HD23 -0.01 -0.03 0.01 -0.04 0.89 0.81 1w2bB1 ASP 180 H -0.07 0.48 -0.81 -0.55 8.40 7.45 1w2bB1 ASP 180 HA -0.03 -0.05 0.49 -0.75 4.63 4.29 1w2bB1 ASP 180 HB2 -0.05 0.36 0.20 -0.04 2.71 3.18 1w2bB1 ASP 180 HB3 -0.02 -0.09 -0.02 -0.04 2.70 2.52 1w2bB1 ILE 181 H -0.20 0.57 0.22 -0.55 8.25 8.28 1w2bB1 ILE 181 HA -0.11 -0.03 0.38 -0.75 4.18 3.66 1w2bB1 ILE 181 HB -0.24 0.04 0.17 -0.04 1.89 1.82 1w2bB1 ILE 181 HG12 -0.23 -0.04 0.02 -0.04 1.49 1.20 1w2bB1 ILE 181 HG13 -0.52 0.19 0.06 -0.04 1.21 0.89 1w2bB1 ILE 181 HG23 -0.21 -0.01 -0.18 -0.04 0.93 0.49 1w2bB1 ILE 181 HD13 -0.38 -0.02 -0.06 -0.04 0.88 0.37 1w2bB1 VAL 182 H -0.12 0.53 -0.18 -0.55 8.24 7.92 1w2bB1 VAL 182 HA -0.08 0.17 0.26 -0.75 4.13 3.73 1w2bB1 VAL 182 HB -0.07 -0.05 -0.13 -0.04 2.12 1.83 1w2bB1 VAL 182 HG13 -0.09 0.04 -0.47 -0.04 0.97 0.41 1w2bB1 VAL 182 HG23 -0.14 0.00 -0.30 -0.04 0.95 0.47 1w2bB1 GLU 183 H -0.04 0.45 -0.15 -0.55 8.60 8.31 1w2bB1 GLU 183 HA -0.02 -0.05 0.28 -0.75 4.29 3.75 1w2bB1 GLU 183 HB2 -0.02 0.08 0.20 -0.04 2.09 2.30 1w2bB1 GLU 183 HB3 -0.01 -0.10 0.02 -0.04 1.99 1.86 1w2bB1 GLU 183 HG2 -0.02 0.36 0.22 -0.04 2.34 2.86 1w2bB1 GLU 183 HG3 -0.01 -0.13 0.04 -0.04 2.34 2.19 1w2bB1 ASP 184 H -0.03 0.37 -0.20 -0.55 8.40 7.99 1w2bB1 ASP 184 HA -0.01 -0.06 0.36 -0.75 4.63 4.15 1w2bB1 ASP 184 HB2 -0.01 -0.17 0.26 -0.04 2.71 2.75 1w2bB1 ASP 184 HB3 -0.00 -0.06 0.09 -0.04 2.70 2.69 1w2bB1 GLY 185 H -0.01 -0.36 0.23 -0.55 8.43 7.74 1w2bB1 GLY 185 HA2 -0.01 0.15 0.51 -0.51 4.01 4.14 1w2bB1 GLY 185 HA3 0.02 -0.09 0.36 -0.51 4.01 3.79 1w2bB1 GLY 186 H -0.01 -0.08 0.29 -0.55 8.43 8.08 1w2bB1 GLY 186 HA2 -0.04 0.07 0.21 -0.51 4.01 3.75 1w2bB1 GLY 186 HA3 0.02 0.43 0.56 -0.51 4.01 4.51 1w2bB1 GLU 187 H 0.06 -0.03 -0.35 -0.55 8.60 7.73 1w2bB1 GLU 187 HA 0.13 0.28 0.60 -0.75 4.29 4.56 1w2bB1 GLU 187 HB2 0.06 0.03 0.01 -0.04 2.09 2.15 1w2bB1 GLU 187 HB3 0.05 -0.07 0.10 -0.04 1.99 2.02 1w2bB1 GLU 187 HG2 0.04 -0.09 -0.23 -0.04 2.34 2.02 1w2bB1 GLU 187 HG3 0.04 0.12 -0.10 -0.04 2.34 2.35 1w2bB1 HIS 188 H 0.05 0.57 0.36 -0.55 8.41 8.85 1w2bB1 HIS 188 HA -0.01 0.09 0.77 -0.75 4.63 4.73 1w2bB1 HIS 188 HB2 -0.03 -0.02 0.07 -0.04 3.26 3.25 1w2bB1 HIS 188 HB3 -0.01 0.06 -0.16 -0.04 3.20 3.06 1w2bB1 HIS 188 HD2 0.17 0.06 -0.14 -0.04 6.97 7.01 1w2bB1 HIS 188 HE1 0.03 -0.14 -0.31 -0.04 7.75 7.28 1w2bB1 ALA 189 H -0.06 0.13 0.21 -0.55 8.40 8.15 1w2bB1 ALA 189 HA -0.19 0.28 1.00 -0.75 4.34 4.67 1w2bB1 ALA 189 HB3 -0.10 0.00 0.08 -0.04 1.41 1.35 1w2bB1 MET 190 H -0.47 0.31 0.13 -0.55 8.47 7.90 1w2bB1 MET 190 HA -1.03 0.10 0.31 -0.75 4.52 3.15 1w2bB1 MET 190 HB2 -0.20 0.17 0.08 -0.04 2.15 2.16 1w2bB1 MET 190 HB3 -0.24 -0.02 0.03 -0.04 2.03 1.77 1w2bB1 MET 190 HG2 -0.29 -0.00 -0.13 -0.04 2.63 2.17 1w2bB1 MET 190 HG3 -0.29 -0.07 -0.04 -0.04 2.56 2.11 1w2bB1 MET 190 HE3 -1.24 -0.01 -0.18 -0.04 2.10 0.63 1w2bB1 ASN 191 H -0.20 0.02 -0.27 -0.55 8.53 7.52 1w2bB1 ASN 191 HA -0.08 0.22 0.43 -0.75 4.76 4.58 1w2bB1 ASN 191 HB2 -0.09 -0.10 0.07 -0.04 2.88 2.72 1w2bB1 ASN 191 HB3 -0.07 0.06 0.01 -0.04 2.79 2.76 1w2bB1 ASN 191 HD21 -0.08 0.03 0.00 -0.04 7.03 6.93 1w2bB1 ASN 191 HD22 -0.07 -0.02 0.02 -0.04 7.74 7.63 1w2bB1 ASP 192 H -0.12 -0.03 -0.16 -0.55 8.40 7.55 1w2bB1 ASP 192 HA -0.04 0.01 0.29 -0.75 4.63 4.13 1w2bB1 ASP 192 HB2 -0.05 0.20 0.14 -0.04 2.71 2.96 1w2bB1 ASP 192 HB3 -0.00 0.01 0.11 -0.04 2.70 2.79 1w2bB1 ILE 193 H -0.05 0.23 -0.80 -0.55 8.25 7.07 1w2bB1 ILE 193 HA -0.11 0.21 1.16 -0.75 4.18 4.68 1w2bB1 ILE 193 HB 0.19 -0.04 -0.10 -0.04 1.89 1.89 1w2bB1 ILE 193 HG12 0.02 -0.02 -0.29 -0.04 1.49 1.17 1w2bB1 ILE 193 HG13 -0.06 -0.00 -0.23 -0.04 1.21 0.87 1w2bB1 ILE 193 HG23 -0.19 -0.06 0.08 -0.04 0.93 0.72 1w2bB1 ILE 193 HD13 0.29 -0.06 -0.10 -0.04 0.88 0.97 1w2bB1 PHE 194 H 0.18 0.70 0.28 -0.55 8.34 8.95 1w2bB1 PHE 194 HA -0.06 0.21 1.07 -0.75 4.62 5.09 1w2bB1 PHE 194 HB2 -0.15 -0.01 -0.08 -0.04 3.15 2.87 1w2bB1 PHE 194 HB3 -0.09 -0.07 -0.07 -0.04 3.06 2.79 1w2bB1 PHE 194 HD2 -0.07 0.01 -0.15 -0.04 7.28 7.03 1w2bB1 PHE 194 HE2 0.12 -0.01 -0.37 -0.04 7.38 7.08 1w2bB1 PHE 194 HZ 0.18 -0.00 -0.53 -0.04 7.32 6.93 1w2bB1 ARG 195 H 0.08 0.22 0.14 -0.55 8.46 8.35 1w2bB1 ARG 195 HA -0.01 0.13 0.80 -0.75 4.34 4.51 1w2bB1 ARG 195 HB2 -0.02 0.08 0.00 -0.04 1.90 1.92 1w2bB1 ARG 195 HB3 -0.02 -0.01 0.01 -0.04 1.80 1.74 1w2bB1 ARG 195 HG2 -0.02 -0.06 -0.06 -0.04 1.67 1.49 1w2bB1 ARG 195 HG3 -0.02 0.21 -0.49 -0.04 1.67 1.33 1w2bB1 ARG 195 HD2 -0.02 -0.02 0.02 -0.04 3.22 3.17 1w2bB1 ARG 195 HD3 -0.02 0.02 0.04 -0.04 3.22 3.21 1w2bB1 ALA 196 H -0.03 0.14 0.10 -0.55 8.40 8.07 1w2bB1 ALA 196 HA -0.03 0.03 0.19 -0.75 4.34 3.78 1w2bB1 ALA 196 HB3 -0.03 0.03 0.07 -0.04 1.41 1.44 1w2bB1 GLY 197 H -0.06 0.67 0.18 -0.55 8.43 8.67 1w2bB1 GLY 197 HA2 -0.11 0.09 0.35 -0.51 4.01 3.82 1w2bB1 GLY 197 HA3 -0.07 0.04 0.76 -0.51 4.01 4.23 1w2bB1 GLU 198 H -0.03 0.48 -0.18 -0.55 8.60 8.32 1w2bB1 GLU 198 HA -0.05 0.00 0.41 -0.75 4.29 3.90 1w2bB1 GLU 198 HB2 0.09 -0.02 0.05 -0.04 2.09 2.16 1w2bB1 GLU 198 HB3 0.07 0.03 0.07 -0.04 1.99 2.12 1w2bB1 GLU 198 HG2 0.00 -0.03 0.06 -0.04 2.34 2.33 1w2bB1 GLU 198 HG3 -0.00 0.12 0.07 -0.04 2.34 2.49 1w2bB1 TYR 199 H 0.17 0.16 0.19 -0.55 8.29 8.26 1w2bB1 TYR 199 HA 0.09 0.18 0.73 -0.75 4.56 4.81 1w2bB1 TYR 199 HB2 0.05 -0.02 0.14 -0.04 3.06 3.19 1w2bB1 TYR 199 HB3 0.06 -0.04 -0.11 -0.04 2.98 2.85 1w2bB1 TYR 199 HD2 0.04 0.03 -0.22 -0.04 7.15 6.96 1w2bB1 TYR 199 HE2 0.03 0.06 -0.13 -0.04 6.85 6.77 1w2bB1 ALA 200 H 0.23 0.78 0.20 -0.55 8.40 9.06 1w2bB1 ALA 200 HA 0.26 0.02 1.04 -0.75 4.34 4.89 1w2bB1 ALA 200 HB3 0.41 0.00 -0.07 -0.04 1.41 1.71 1w2bB1 ASP 201 H 0.19 0.75 0.35 -0.55 8.40 9.13 1w2bB1 ASP 201 HA 0.09 0.22 0.91 -0.75 4.63 5.10 1w2bB1 ASP 201 HB2 0.06 0.04 0.01 -0.04 2.71 2.77 1w2bB1 ASP 201 HB3 0.11 0.05 -0.15 -0.04 2.70 2.67 1w2bB1 VAL 202 H 0.02 0.71 0.21 -0.55 8.24 8.64 1w2bB1 VAL 202 HA -0.08 0.45 1.21 -0.75 4.13 4.96 1w2bB1 VAL 202 HB -0.15 -0.00 0.09 -0.04 2.12 2.02 1w2bB1 VAL 202 HG13 -0.45 -0.00 -0.21 -0.04 0.97 0.27 1w2bB1 VAL 202 HG23 -0.34 -0.01 -0.32 -0.04 0.95 0.24 1w2bB1 ALA 203 H -0.10 0.57 0.33 -0.55 8.40 8.65 1w2bB1 ALA 203 HA -0.18 0.29 1.06 -0.75 4.34 4.75 1w2bB1 ALA 203 HB3 -0.68 -0.03 -0.00 -0.04 1.41 0.65 1w2bB1 GLY 204 H -0.16 0.49 0.40 -0.55 8.43 8.61 1w2bB1 GLY 204 HA2 -0.17 0.18 0.51 -0.51 4.01 4.02 1w2bB1 GLY 204 HA3 -0.14 0.10 0.23 -0.51 4.01 3.69 1w2bB1 VAL 205 H -0.15 0.32 0.10 -0.55 8.24 7.96 1w2bB1 VAL 205 HA -0.18 0.24 0.82 -0.75 4.13 4.26 1w2bB1 VAL 205 HB -0.29 0.03 0.19 -0.04 2.12 2.01 1w2bB1 VAL 205 HG13 -0.86 0.03 -0.31 -0.04 0.97 -0.21 1w2bB1 VAL 205 HG23 -0.28 -0.03 -0.17 -0.04 0.95 0.43 1w2bB1 THR 206 H -0.07 0.57 0.29 -0.55 8.28 8.52 1w2bB1 THR 206 HA -0.04 -0.32 0.42 -0.75 4.39 3.69 1w2bB1 THR 206 HB -0.00 0.04 0.18 -0.04 4.32 4.49 1w2bB1 THR 206 HG23 -0.03 0.05 0.07 -0.04 1.22 1.27 1w2bB1 LYS 207 H -0.00 0.10 0.19 -0.55 8.42 8.15 1w2bB1 LYS 207 HA 0.05 0.10 0.50 -0.75 4.32 4.22 1w2bB1 LYS 207 HB2 0.00 -0.04 0.09 -0.04 1.87 1.88 1w2bB1 LYS 207 HB3 0.01 0.13 -0.00 -0.04 1.79 1.90 1w2bB1 LYS 207 HG2 0.01 0.02 -0.16 -0.04 1.46 1.29 1w2bB1 LYS 207 HG3 -0.00 -0.05 -0.13 -0.04 1.46 1.24 1w2bB1 LYS 207 HD2 0.00 0.08 -0.08 -0.04 1.69 1.65 1w2bB1 LYS 207 HD3 -0.00 -0.04 -0.04 -0.04 1.68 1.56 1w2bB1 LYS 207 HE2 0.01 0.03 -0.03 -0.04 2.99 2.96 1w2bB1 LYS 207 HE3 0.01 0.00 0.00 -0.04 2.99 2.97 1w2bB1 GLY 208 H 0.08 0.14 0.23 -0.55 8.43 8.34 1w2bB1 GLY 208 HA2 0.04 0.04 0.38 -0.51 4.01 3.95 1w2bB1 GLY 208 HA3 -0.01 0.04 0.29 -0.51 4.01 3.82 1w2bB1 LYS 209 H -0.03 0.29 0.33 -0.55 8.42 8.46 1w2bB1 LYS 209 HA -0.02 0.14 0.78 -0.75 4.32 4.47 1w2bB1 LYS 209 HB2 -0.02 0.15 -0.10 -0.04 1.87 1.87 1w2bB1 LYS 209 HB3 -0.02 -0.07 0.02 -0.04 1.79 1.68 1w2bB1 LYS 209 HG2 -0.01 0.03 -0.23 -0.04 1.46 1.21 1w2bB1 LYS 209 HG3 -0.00 0.06 -0.54 -0.04 1.46 0.94 1w2bB1 LYS 209 HD2 -0.02 -0.00 -0.19 -0.04 1.69 1.43 1w2bB1 LYS 209 HD3 -0.02 -0.04 -0.11 -0.04 1.68 1.47 1w2bB1 LYS 209 HE2 -0.01 0.00 -0.09 -0.04 2.99 2.85 1w2bB1 LYS 209 HE3 -0.03 -0.01 -0.08 -0.04 2.99 2.83 1w2bB1 GLY 210 H -0.05 -0.01 0.21 -0.55 8.43 8.04 1w2bB1 GLY 210 HA2 -0.05 0.00 0.32 -0.51 4.01 3.77 1w2bB1 GLY 210 HA3 -0.03 0.13 0.71 -0.51 4.01 4.30 1w2bB1 THR 211 H -0.02 0.13 0.17 -0.55 8.28 8.01 1w2bB1 THR 211 HA -0.00 0.21 0.64 -0.75 4.39 4.49 1w2bB1 THR 211 HB 0.01 0.02 -0.08 -0.04 4.32 4.22 1w2bB1 THR 211 HG23 0.00 -0.02 -0.11 -0.04 1.22 1.05 1w2bB1 GLN 212 H 0.00 0.81 0.35 -0.55 8.47 9.09 1w2bB1 GLN 212 HA -0.00 0.16 0.98 -0.75 4.36 4.75 1w2bB1 GLN 212 HB2 -0.04 0.08 -0.01 -0.04 2.15 2.14 1w2bB1 GLN 212 HB3 -0.02 -0.15 0.06 -0.04 2.02 1.87 1w2bB1 GLN 212 HG2 -0.02 0.03 -0.63 -0.04 2.40 1.74 1w2bB1 GLN 212 HG3 -0.03 -0.01 -0.18 -0.04 2.39 2.13 1w2bB1 GLN 212 HE21 -0.01 -0.10 0.00 -0.04 6.97 6.82 1w2bB1 GLN 212 HE22 -0.01 0.00 -0.42 -0.04 7.69 7.22 1w2bB1 GLY 213 H 0.01 0.08 0.15 -0.55 8.43 8.12 1w2bB1 GLY 213 HA2 0.06 0.15 0.53 -0.51 4.01 4.24 1w2bB1 GLY 213 HA3 0.04 0.03 0.39 -0.51 4.01 3.97 1w2bB1 PRO 214 HA 0.33 0.17 0.27 -0.51 4.44 4.71 1w2bB1 PRO 214 HB2 0.12 0.00 -0.06 -0.04 2.28 2.30 1w2bB1 PRO 214 HB3 0.19 0.16 -0.11 -0.04 2.02 2.21 1w2bB1 PRO 214 HG2 0.10 0.02 0.08 -0.04 2.03 2.18 1w2bB1 PRO 214 HG3 0.16 0.02 -0.16 -0.04 2.03 2.01 1w2bB1 PRO 214 HD2 0.08 0.24 0.23 -0.04 3.68 4.19 1w2bB1 PRO 214 HD3 0.09 0.11 0.22 -0.04 3.65 4.03 1w2bB1 VAL 215 H 0.08 0.17 -0.13 -0.55 8.24 7.80 1w2bB1 VAL 215 HA 0.08 0.09 0.38 -0.75 4.13 3.92 1w2bB1 VAL 215 HB 0.04 -0.12 0.06 -0.04 2.12 2.06 1w2bB1 VAL 215 HG13 0.03 0.03 -0.23 -0.04 0.97 0.76 1w2bB1 VAL 215 HG23 0.06 0.15 -0.06 -0.04 0.95 1.06 1w2bB1 LYS 216 H 0.02 0.01 -0.25 -0.55 8.42 7.64 1w2bB1 LYS 216 HA -0.01 0.14 0.45 -0.75 4.32 4.14 1w2bB1 LYS 216 HB2 -0.01 -0.04 0.03 -0.04 1.87 1.82 1w2bB1 LYS 216 HB3 -0.02 -0.05 0.04 -0.04 1.79 1.72 1w2bB1 LYS 216 HG2 -0.05 0.06 -0.27 -0.04 1.46 1.17 1w2bB1 LYS 216 HG3 -0.03 0.01 -0.01 -0.04 1.46 1.39 1w2bB1 LYS 216 HD2 -0.01 -0.03 -0.03 -0.04 1.69 1.58 1w2bB1 LYS 216 HD3 -0.02 -0.03 -0.04 -0.04 1.68 1.55 1w2bB1 LYS 216 HE2 -0.02 0.01 -0.05 -0.04 2.99 2.89 1w2bB1 LYS 216 HE3 -0.03 0.03 -0.10 -0.04 2.99 2.84 1w2bB1 ARG 217 H -0.04 0.40 -0.20 -0.55 8.46 8.07 1w2bB1 ARG 217 HA -0.25 0.03 0.36 -0.75 4.34 3.72 1w2bB1 ARG 217 HB2 -0.13 -0.04 -0.08 -0.04 1.90 1.61 1w2bB1 ARG 217 HB3 -0.19 -0.04 -0.03 -0.04 1.80 1.50 1w2bB1 ARG 217 HG2 -1.06 -0.02 -0.19 -0.04 1.67 0.36 1w2bB1 ARG 217 HG3 -0.33 -0.05 -0.07 -0.04 1.67 1.17 1w2bB1 ARG 217 HD2 -0.01 0.04 -0.13 -0.04 3.22 3.07 1w2bB1 ARG 217 HD3 -0.31 -0.04 -0.12 -0.04 3.22 2.70 1w2bB1 TRP 218 H 0.08 0.53 0.01 -0.55 7.97 8.04 1w2bB1 TRP 218 HA -0.01 0.19 0.84 -0.75 4.62 4.89 1w2bB1 TRP 218 HB2 0.00 -0.05 0.01 -0.04 3.23 3.16 1w2bB1 TRP 218 HB3 0.00 0.05 -0.05 -0.04 3.23 3.19 1w2bB1 TRP 218 HD1 0.01 -0.07 -0.16 -0.04 7.22 6.96 1w2bB1 TRP 218 HE1 0.02 0.14 0.02 -0.04 10.20 10.33 1w2bB1 TRP 218 HE3 -0.01 0.03 0.06 -0.04 7.59 7.63 1w2bB1 TRP 218 HZ2 0.01 -0.05 -0.03 -0.04 7.44 7.33 1w2bB1 TRP 218 HZ3 0.01 0.37 -0.06 -0.04 7.13 7.41 1w2bB1 TRP 218 HH2 0.01 -0.09 -0.05 -0.04 7.19 7.02 1w2bB1 GLY 219 H 0.09 0.26 -0.15 -0.55 8.43 8.08 1w2bB1 GLY 219 HA2 0.05 0.23 0.31 -0.51 4.01 4.09 1w2bB1 GLY 219 HA3 0.07 0.02 0.48 -0.51 4.01 4.07 1w2bB1 VAL 220 H 0.12 0.10 -0.15 -0.55 8.24 7.77 1w2bB1 VAL 220 HA 0.06 0.10 0.53 -0.75 4.13 4.07 1w2bB1 VAL 220 HB 0.05 0.00 -0.08 -0.04 2.12 2.06 1w2bB1 VAL 220 HG13 0.12 0.02 -0.16 -0.04 0.97 0.91 1w2bB1 VAL 220 HG23 0.09 0.00 -0.41 -0.04 0.95 0.59 1w2bB1 GLN 221 H 0.04 0.08 0.09 -0.55 8.47 8.13 1w2bB1 GLN 221 HA 0.03 0.02 0.27 -0.75 4.36 3.93 1w2bB1 GLN 221 HB2 0.02 -0.07 0.03 -0.04 2.15 2.09 1w2bB1 GLN 221 HB3 0.03 0.15 -0.07 -0.04 2.02 2.09 1w2bB1 GLN 221 HG2 0.03 -0.00 0.04 -0.04 2.40 2.43 1w2bB1 GLN 221 HG3 0.03 0.04 0.06 -0.04 2.39 2.47 1w2bB1 GLN 221 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.92 1w2bB1 GLN 221 HE22 0.02 0.05 0.00 -0.04 7.69 7.72 1w2bB1 LYS 222 H 0.04 0.06 0.15 -0.55 8.42 8.11 1w2bB1 LYS 222 HA 0.05 0.09 0.68 -0.75 4.32 4.39 1w2bB1 LYS 222 HB2 0.04 -0.01 0.10 -0.04 1.87 1.96 1w2bB1 LYS 222 HB3 0.05 0.10 0.18 -0.04 1.79 2.08 1w2bB1 LYS 222 HG2 0.04 0.00 0.02 -0.04 1.46 1.48 1w2bB1 LYS 222 HG3 0.03 -0.05 0.06 -0.04 1.46 1.46 1w2bB1 LYS 222 HD2 0.03 0.01 0.02 -0.04 1.69 1.71 1w2bB1 LYS 222 HD3 0.02 -0.04 -0.01 -0.04 1.68 1.62 1w2bB1 LYS 222 HE2 0.02 -0.03 0.02 -0.04 2.99 2.95 1w2bB1 LYS 222 HE3 0.03 0.08 0.03 -0.04 2.99 3.10 1w2bB1 ARG 223 H 0.08 0.27 0.10 -0.55 8.46 8.36 1w2bB1 ARG 223 HA 0.07 -0.02 0.25 -0.75 4.34 3.89 1w2bB1 ARG 223 HB2 0.13 0.05 0.06 -0.04 1.90 2.09 1w2bB1 ARG 223 HB3 0.17 -0.15 -0.28 -0.04 1.80 1.49 1w2bB1 ARG 223 HG2 0.13 -0.11 -0.22 -0.04 1.67 1.43 1w2bB1 ARG 223 HG3 0.23 0.25 -0.20 -0.04 1.67 1.91 1w2bB1 ARG 223 HD2 0.02 -0.06 -0.06 -0.04 3.22 3.09 1w2bB1 ARG 223 HD3 0.02 -0.05 -0.08 -0.04 3.22 3.06 1w2bB1 LYS 224 H 0.16 0.09 0.15 -0.55 8.42 8.27 1w2bB1 LYS 224 HA 0.07 0.28 1.00 -0.75 4.32 4.91 1w2bB1 LYS 224 HB2 0.11 -0.05 0.04 -0.04 1.87 1.92 1w2bB1 LYS 224 HB3 0.06 -0.06 0.09 -0.04 1.79 1.83 1w2bB1 LYS 224 HG2 0.06 0.12 -0.19 -0.04 1.46 1.40 1w2bB1 LYS 224 HG3 0.05 -0.05 -0.03 -0.04 1.46 1.39 1w2bB1 LYS 224 HD2 0.04 -0.13 0.05 -0.04 1.69 1.60 1w2bB1 LYS 224 HD3 0.05 0.41 -0.19 -0.04 1.68 1.91 1w2bB1 LYS 224 HE2 0.04 0.05 0.05 -0.04 2.99 3.09 1w2bB1 LYS 224 HE3 0.03 -0.07 0.01 -0.04 2.99 2.92 1w2bB1 GLY 225 H 0.03 0.20 0.14 -0.55 8.43 8.26 1w2bB1 GLY 225 HA2 -0.00 0.10 0.36 -0.51 4.01 3.95 1w2bB1 GLY 225 HA3 -0.03 0.00 0.43 -0.51 4.01 3.90 1w2bB1 LYS 226 H -0.16 0.15 0.25 -0.55 8.42 8.10 1w2bB1 LYS 226 HA -0.05 0.09 0.40 -0.75 4.32 4.01 1w2bB1 LYS 226 HB2 -0.11 0.00 0.15 -0.04 1.87 1.87 1w2bB1 LYS 226 HB3 -0.30 0.02 0.13 -0.04 1.79 1.60 1w2bB1 LYS 226 HG2 -0.08 0.02 -0.11 -0.04 1.46 1.24 1w2bB1 LYS 226 HG3 -0.04 0.00 0.08 -0.04 1.46 1.46 1w2bB1 LYS 226 HD2 -0.08 0.01 0.01 -0.04 1.69 1.58 1w2bB1 LYS 226 HD3 -0.03 0.02 -0.00 -0.04 1.68 1.63 1w2bB1 LYS 226 HE2 -0.03 0.01 0.02 -0.04 2.99 2.94 1w2bB1 LYS 226 HE3 -0.05 -0.02 0.03 -0.04 2.99 2.91 1w2bB1 HIS 227 H -0.33 0.35 -0.02 -0.55 8.41 7.87 1w2bB1 HIS 227 HA 0.05 0.05 0.43 -0.75 4.63 4.40 1w2bB1 HIS 227 HB2 0.03 -0.03 0.09 -0.04 3.26 3.31 1w2bB1 HIS 227 HB3 0.03 0.04 0.08 -0.04 3.20 3.30 1w2bB1 HIS 227 HD2 0.01 0.01 0.09 -0.04 6.97 7.03 1w2bB1 HIS 227 HE1 -0.02 0.01 0.01 -0.04 7.75 7.71 1w2bB1 ALA 228 H 0.08 0.30 -0.77 -0.55 8.40 7.47 1w2bB1 ALA 228 HA 0.12 0.18 0.29 -0.75 4.34 4.18 1w2bB1 ALA 228 HB3 0.06 0.05 -0.18 -0.04 1.41 1.30 1w2bB1 ARG 229 H 0.07 0.35 -0.55 -0.55 8.46 7.78 1w2bB1 ARG 229 HA 0.05 0.22 1.01 -0.75 4.34 4.87 1w2bB1 ARG 229 HB2 0.03 0.06 0.03 -0.04 1.90 1.98 1w2bB1 ARG 229 HB3 0.03 -0.03 0.08 -0.04 1.80 1.84 1w2bB1 ARG 229 HG2 0.02 0.04 -0.13 -0.04 1.67 1.56 1w2bB1 ARG 229 HG3 0.03 0.00 -0.25 -0.04 1.67 1.41 1w2bB1 ARG 229 HD2 0.01 -0.01 -0.03 -0.04 3.22 3.15 1w2bB1 ARG 229 HD3 0.01 -0.01 -0.06 -0.04 3.22 3.12 1w2bB1 GLN 230 H 0.16 0.31 -0.05 -0.55 8.47 8.34 1w2bB1 GLN 230 HA 0.14 0.09 0.42 -0.75 4.36 4.25 1w2bB1 GLN 230 HB2 0.33 0.06 0.09 -0.04 2.15 2.59 1w2bB1 GLN 230 HB3 0.29 -0.02 0.17 -0.04 2.02 2.42 1w2bB1 GLN 230 HG2 0.11 0.16 0.10 -0.04 2.40 2.74 1w2bB1 GLN 230 HG3 0.11 -0.05 0.02 -0.04 2.39 2.43 1w2bB1 GLN 230 HE21 0.03 -0.04 -0.06 -0.04 6.97 6.86 1w2bB1 GLN 230 HE22 0.04 0.30 0.05 -0.04 7.69 8.04 1w2bB1 GLY 231 H 0.11 0.08 -0.79 -0.55 8.43 7.28 1w2bB1 GLY 231 HA2 -0.15 0.01 0.19 -0.51 4.01 3.54 1w2bB1 GLY 231 HA3 -0.32 0.19 0.81 -0.51 4.01 4.18 1w2bB1 TRP 232 H 0.29 0.20 -0.15 -0.55 7.97 7.76 1w2bB1 TRP 232 HA 0.01 0.09 0.79 -0.75 4.62 4.76 1w2bB1 TRP 232 HB2 0.03 0.02 -0.00 -0.04 3.23 3.24 1w2bB1 TRP 232 HB3 0.01 0.01 -0.06 -0.04 3.23 3.16 1w2bB1 TRP 232 HD1 0.00 -0.03 -0.03 -0.04 7.22 7.12 1w2bB1 TRP 232 HE1 -0.00 -0.02 -0.03 -0.04 10.20 10.11 1w2bB1 TRP 232 HE3 0.02 -0.12 -0.55 -0.04 7.59 6.91 1w2bB1 TRP 232 HZ2 -0.01 -0.03 -0.02 -0.04 7.44 7.34 1w2bB1 TRP 232 HZ3 0.01 0.11 0.03 -0.04 7.13 7.23 1w2bB1 TRP 232 HH2 0.00 -0.04 -0.00 -0.04 7.19 7.10 1w2bB1 ARG 233 H 0.06 0.05 0.09 -0.55 8.46 8.11 1w2bB1 ARG 233 HA 0.11 0.28 1.15 -0.75 4.34 5.13 1w2bB1 ARG 233 HB2 0.02 -0.04 0.06 -0.04 1.90 1.90 1w2bB1 ARG 233 HB3 0.04 0.01 0.02 -0.04 1.80 1.83 1w2bB1 ARG 233 HG2 0.05 0.23 -0.02 -0.04 1.67 1.89 1w2bB1 ARG 233 HG3 0.02 -0.12 -0.30 -0.04 1.67 1.23 1w2bB1 ARG 233 HD2 -0.01 -0.03 -0.04 -0.04 3.22 3.10 1w2bB1 ARG 233 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.16 1w2bB1 ARG 234 H 0.07 0.06 0.06 -0.55 8.46 8.09 1w2bB1 ARG 234 HA 0.07 0.25 0.86 -0.75 4.34 4.77 1w2bB1 ARG 234 HB2 0.04 0.00 0.17 -0.04 1.90 2.06 1w2bB1 ARG 234 HB3 0.05 -0.08 0.19 -0.04 1.80 1.91 1w2bB1 ARG 234 HG2 0.04 0.11 -0.06 -0.04 1.67 1.72 1w2bB1 ARG 234 HG3 0.04 -0.15 -0.70 -0.04 1.67 0.82 1w2bB1 ARG 234 HD2 0.02 0.02 -0.06 -0.04 3.22 3.16 1w2bB1 ARG 234 HD3 0.02 -0.03 0.01 -0.04 3.22 3.18 1w2bB1 ARG 235 H 0.13 0.31 -0.13 -0.55 8.46 8.22 1w2bB1 ARG 235 HA 0.10 0.09 0.76 -0.75 4.34 4.53 1w2bB1 ARG 235 HB2 0.31 0.03 0.00 -0.04 1.90 2.20 1w2bB1 ARG 235 HB3 0.17 0.09 0.02 -0.04 1.80 2.04 1w2bB1 ARG 235 HG2 0.10 0.10 -0.08 -0.04 1.67 1.74 1w2bB1 ARG 235 HG3 0.13 -0.30 -0.29 -0.04 1.67 1.17 1w2bB1 ARG 235 HD2 0.49 0.03 -0.01 -0.04 3.22 3.69 1w2bB1 ARG 235 HD3 0.20 0.05 -0.01 -0.04 3.22 3.42 1w2bB1 ILE 236 H 0.06 0.11 0.05 -0.55 8.25 7.92 1w2bB1 ILE 236 HA 0.02 0.09 0.29 -0.75 4.18 3.83 1w2bB1 ILE 236 HB -0.01 -0.09 0.08 -0.04 1.89 1.83 1w2bB1 ILE 236 HG12 0.03 -0.08 0.04 -0.04 1.49 1.43 1w2bB1 ILE 236 HG13 0.00 -0.04 -0.38 -0.04 1.21 0.75 1w2bB1 ILE 236 HG23 0.02 0.01 0.02 -0.04 0.93 0.94 1w2bB1 ILE 236 HD13 -0.03 0.09 -0.05 -0.04 0.88 0.85 1w2bB1 GLY 237 H -0.03 0.09 0.12 -0.55 8.43 8.06 1w2bB1 GLY 237 HA2 -0.11 0.07 0.36 -0.51 4.01 3.83 1w2bB1 GLY 237 HA3 -0.08 -0.02 0.33 -0.51 4.01 3.73 1w2bB1 ASN 238 H -0.05 0.19 0.03 -0.55 8.53 8.15 1w2bB1 ASN 238 HA -0.05 0.21 0.60 -0.75 4.76 4.76 1w2bB1 ASN 238 HB2 -0.06 0.05 0.10 -0.04 2.88 2.94 1w2bB1 ASN 238 HB3 -0.07 0.10 -0.18 -0.04 2.79 2.59 1w2bB1 ASN 238 HD21 -0.04 0.03 -0.09 -0.04 7.03 6.89 1w2bB1 ASN 238 HD22 -0.06 -0.07 -0.19 -0.04 7.74 7.39 1w2bB1 LEU 239 H -0.04 0.21 0.09 -0.55 8.37 8.08 1w2bB1 LEU 239 HA -0.03 0.15 0.63 -0.75 4.35 4.34 1w2bB1 LEU 239 HB2 -0.03 0.03 0.05 -0.04 1.64 1.65 1w2bB1 LEU 239 HB3 -0.02 0.01 0.16 -0.04 1.64 1.75 1w2bB1 LEU 239 HG -0.01 -0.07 -0.13 -0.04 1.64 1.39 1w2bB1 LEU 239 HD13 -0.01 0.00 -0.01 -0.04 0.93 0.87 1w2bB1 LEU 239 HD23 -0.01 0.01 -0.04 -0.04 0.89 0.81 1w2bB1 GLY 240 H -0.04 -0.04 -0.47 -0.55 8.43 7.34 1w2bB1 GLY 240 HA2 -0.02 -0.02 0.24 -0.51 4.01 3.69 1w2bB1 GLY 240 HA3 -0.02 0.28 0.93 -0.51 4.01 4.68 1w2bB1 PRO 241 HA 0.05 0.05 0.45 -0.51 4.44 4.48 1w2bB1 PRO 241 HB2 0.08 -0.02 0.05 -0.04 2.28 2.35 1w2bB1 PRO 241 HB3 0.04 -0.01 0.08 -0.04 2.02 2.09 1w2bB1 PRO 241 HG2 0.04 0.08 -0.36 -0.04 2.03 1.75 1w2bB1 PRO 241 HG3 0.02 0.03 0.01 -0.04 2.03 2.06 1w2bB1 PRO 241 HD2 0.00 0.13 0.18 -0.04 3.68 3.95 1w2bB1 PRO 241 HD3 0.00 0.08 0.11 -0.04 3.65 3.79 1w2bB1 TRP 242 H 0.26 0.07 0.11 -0.55 7.97 7.86 1w2bB1 TRP 242 HA -0.02 0.08 0.35 -0.75 4.62 4.28 1w2bB1 TRP 242 HB2 -0.02 -0.01 0.14 -0.04 3.23 3.30 1w2bB1 TRP 242 HB3 -0.01 -0.06 0.09 -0.04 3.23 3.21 1w2bB1 TRP 242 HD1 -0.01 0.01 -0.26 -0.04 7.22 6.92 1w2bB1 TRP 242 HE1 -0.01 -0.01 -0.02 -0.04 10.20 10.12 1w2bB1 TRP 242 HE3 -0.02 -0.00 0.02 -0.04 7.59 7.55 1w2bB1 TRP 242 HZ2 -0.01 -0.01 -0.01 -0.04 7.44 7.38 1w2bB1 TRP 242 HZ3 -0.01 -0.01 0.00 -0.04 7.13 7.07 1w2bB1 TRP 242 HH2 -0.01 -0.01 -0.00 -0.04 7.19 7.13 1w2bB1 ASN 243 H 0.21 0.14 -0.09 -0.55 8.53 8.24 1w2bB1 ASN 243 HA 0.14 -0.03 0.44 -0.75 4.76 4.55 1w2bB1 ASN 243 HB2 0.01 -0.02 0.02 -0.04 2.88 2.86 1w2bB1 ASN 243 HB3 0.03 0.02 -0.04 -0.04 2.79 2.76 1w2bB1 ASN 243 HD21 -0.21 0.03 -0.10 -0.04 7.03 6.70 1w2bB1 ASN 243 HD22 -0.26 -0.04 -0.11 -0.04 7.74 7.29 1w2bB1 PRO 244 HA 0.05 -0.06 0.39 -0.51 4.44 4.31 1w2bB1 PRO 244 HB2 0.02 0.04 -0.13 -0.04 2.28 2.18 1w2bB1 PRO 244 HB3 0.02 0.01 0.05 -0.04 2.02 2.06 1w2bB1 PRO 244 HG2 0.02 0.09 0.05 -0.04 2.03 2.15 1w2bB1 PRO 244 HG3 0.01 0.01 0.05 -0.04 2.03 2.06 1w2bB1 PRO 244 HD2 0.02 0.13 0.23 -0.04 3.68 4.02 1w2bB1 PRO 244 HD3 0.02 0.05 0.23 -0.04 3.65 3.91 1w2bB1 SER 245 H 0.08 0.04 0.14 -0.55 8.46 8.17 1w2bB1 SER 245 HA 0.09 0.40 0.56 -0.75 4.49 4.79 1w2bB1 SER 245 HB2 0.08 -0.02 0.22 -0.04 3.95 4.19 1w2bB1 SER 245 HB3 0.19 0.04 0.20 -0.04 3.93 4.32 1w2bB1 ARG 246 H 0.02 0.97 0.32 -0.55 8.46 9.22 1w2bB1 ARG 246 HA 0.00 0.03 0.40 -0.75 4.34 4.03 1w2bB1 ARG 246 HB2 0.01 -0.07 0.06 -0.04 1.90 1.86 1w2bB1 ARG 246 HB3 0.01 0.12 -0.14 -0.04 1.80 1.76 1w2bB1 ARG 246 HG2 0.02 -0.07 -0.50 -0.04 1.67 1.08 1w2bB1 ARG 246 HG3 0.00 -0.00 -0.45 -0.04 1.67 1.18 1w2bB1 ARG 246 HD2 0.01 0.02 -0.14 -0.04 3.22 3.06 1w2bB1 ARG 246 HD3 0.01 0.00 -0.20 -0.04 3.22 2.99 1w2bB1 VAL 247 H -0.00 0.14 0.09 -0.55 8.24 7.92 1w2bB1 VAL 247 HA -0.02 0.32 1.14 -0.75 4.13 4.83 1w2bB1 VAL 247 HB -0.01 -0.10 0.17 -0.04 2.12 2.14 1w2bB1 VAL 247 HG13 -0.03 0.06 -0.05 -0.04 0.97 0.90 1w2bB1 VAL 247 HG23 -0.02 0.05 -0.05 -0.04 0.95 0.89 1w2bB1 ARG 248 H -0.02 0.19 0.13 -0.55 8.46 8.21 1w2bB1 ARG 248 HA -0.02 0.06 0.41 -0.75 4.34 4.03 1w2bB1 ARG 248 HB2 -0.04 0.09 0.14 -0.04 1.90 2.05 1w2bB1 ARG 248 HB3 -0.05 -0.24 0.06 -0.04 1.80 1.53 1w2bB1 ARG 248 HG2 -0.02 -0.01 0.08 -0.04 1.67 1.68 1w2bB1 ARG 248 HG3 -0.01 0.05 0.02 -0.04 1.67 1.68 1w2bB1 ARG 248 HD2 -0.03 -0.02 0.02 -0.04 3.22 3.14 1w2bB1 ARG 248 HD3 -0.02 0.01 0.02 -0.04 3.22 3.19 1w2bB1 SER 249 H -0.03 0.13 0.17 -0.55 8.46 8.18 1w2bB1 SER 249 HA -0.05 0.27 0.75 -0.75 4.49 4.70 1w2bB1 SER 249 HB2 -0.01 0.04 0.18 -0.04 3.95 4.12 1w2bB1 SER 249 HB3 -0.01 0.02 0.10 -0.04 3.93 4.01 1w2bB1 THR 250 H -0.08 -0.02 -0.34 -0.55 8.28 7.29 1w2bB1 THR 250 HA -0.17 0.19 0.58 -0.75 4.39 4.23 1w2bB1 THR 250 HB -0.11 0.03 0.07 -0.04 4.32 4.27 1w2bB1 THR 250 HG23 -0.06 -0.00 0.00 -0.04 1.22 1.12 1w2bB1 VAL 251 H -0.15 0.14 -0.55 -0.55 8.24 7.13 1w2bB1 VAL 251 HA -0.22 0.17 0.74 -0.75 4.13 4.06 1w2bB1 VAL 251 HB -0.10 -0.06 -0.06 -0.04 2.12 1.85 1w2bB1 VAL 251 HG13 -0.08 0.01 -0.01 -0.04 0.97 0.85 1w2bB1 VAL 251 HG23 -0.09 -0.01 -0.23 -0.04 0.95 0.57 1w2bB1 PRO 252 HA -1.43 0.08 0.37 -0.51 4.44 2.95 1w2bB1 PRO 252 HB2 0.04 -0.09 0.00 -0.04 2.28 2.19 1w2bB1 PRO 252 HB3 -0.41 0.15 0.09 -0.04 2.02 1.81 1w2bB1 PRO 252 HG2 -0.08 -0.05 0.14 -0.04 2.03 1.99 1w2bB1 PRO 252 HG3 -0.08 -0.00 0.07 -0.04 2.03 1.98 1w2bB1 PRO 252 HD2 -0.18 0.03 0.20 -0.04 3.68 3.69 1w2bB1 PRO 252 HD3 -0.30 0.24 0.25 -0.04 3.65 3.79 1w2bB1 GLN 253 H 0.09 0.24 0.21 -0.55 8.47 8.47 1w2bB1 GLN 253 HA 0.10 0.13 1.05 -0.75 4.36 4.88 1w2bB1 GLN 253 HB2 0.09 0.05 0.04 -0.04 2.15 2.30 1w2bB1 GLN 253 HB3 0.08 -0.07 0.13 -0.04 2.02 2.12 1w2bB1 GLN 253 HG2 0.00 0.01 -0.21 -0.04 2.40 2.15 1w2bB1 GLN 253 HG3 -0.04 0.27 -0.27 -0.04 2.39 2.31 1w2bB1 GLN 253 HE21 0.00 -0.06 -0.00 -0.04 6.97 6.87 1w2bB1 GLN 253 HE22 -0.01 0.10 -0.01 -0.04 7.69 7.72 1w2bB1 GLN 254 H 0.10 0.05 0.16 -0.55 8.47 8.24 1w2bB1 GLN 254 HA 0.11 0.15 0.47 -0.75 4.36 4.34 1w2bB1 GLN 254 HB2 0.07 -0.06 0.13 -0.04 2.15 2.24 1w2bB1 GLN 254 HB3 0.07 -0.04 0.15 -0.04 2.02 2.16 1w2bB1 GLN 254 HG2 0.05 0.10 -0.09 -0.04 2.40 2.42 1w2bB1 GLN 254 HG3 0.04 -0.05 -0.08 -0.04 2.39 2.25 1w2bB1 GLN 254 HE21 0.03 -0.02 -0.07 -0.04 6.97 6.87 1w2bB1 GLN 254 HE22 0.02 -0.01 -0.08 -0.04 7.69 7.58 1w2bB1 GLY 255 H 0.06 0.56 0.35 -0.55 8.43 8.86 1w2bB1 GLY 255 HA2 0.06 -0.05 0.34 -0.51 4.01 3.85 1w2bB1 GLY 255 HA3 0.10 0.16 0.49 -0.51 4.01 4.25 1w2bB1 GLN 256 H 0.06 0.11 0.19 -0.55 8.47 8.28 1w2bB1 GLN 256 HA 0.00 0.09 0.50 -0.75 4.36 4.20 1w2bB1 GLN 256 HB2 0.03 -0.09 0.21 -0.04 2.15 2.26 1w2bB1 GLN 256 HB3 0.02 0.18 -0.02 -0.04 2.02 2.16 1w2bB1 GLN 256 HG2 -0.02 -0.10 -0.03 -0.04 2.40 2.21 1w2bB1 GLN 256 HG3 -0.02 -0.08 0.01 -0.04 2.39 2.25 1w2bB1 GLN 256 HE21 -0.08 -0.16 0.08 -0.04 6.97 6.76 1w2bB1 GLN 256 HE22 -0.06 -0.12 -0.07 -0.04 7.69 7.40 1w2bB1 THR 257 H -0.01 0.67 0.41 -0.55 8.28 8.81 1w2bB1 THR 257 HA 0.22 0.16 0.77 -0.75 4.39 4.78 1w2bB1 THR 257 HB -0.07 0.00 0.04 -0.04 4.32 4.25 1w2bB1 THR 257 HG23 -0.07 0.03 -0.18 -0.04 1.22 0.96 1w2bB1 GLY 258 H 0.43 0.11 0.01 -0.55 8.43 8.43 1w2bB1 GLY 258 HA2 0.10 -0.05 0.30 -0.51 4.01 3.85 1w2bB1 GLY 258 HA3 0.02 0.15 0.72 -0.51 4.01 4.39 1w2bB1 TYR 259 H 0.05 0.17 -0.59 -0.55 8.29 7.37 1w2bB1 TYR 259 HA -0.08 0.43 0.15 -0.75 4.56 4.30 1w2bB1 TYR 259 HB2 -0.11 -0.17 -0.23 -0.04 3.06 2.51 1w2bB1 TYR 259 HB3 -0.20 0.17 0.25 -0.04 2.98 3.16 1w2bB1 TYR 259 HD2 -0.08 -0.06 0.12 -0.04 7.15 7.09 1w2bB1 TYR 259 HE2 -0.03 0.08 -0.03 -0.04 6.85 6.82 1w2bB1 HIS 260 H 0.02 -0.03 -0.06 -0.55 8.41 7.79 1w2bB1 HIS 260 HA -0.04 0.25 0.78 -0.75 4.63 4.87 1w2bB1 HIS 260 HB2 -0.04 -0.12 -0.08 -0.04 3.26 2.98 1w2bB1 HIS 260 HB3 -0.00 0.11 0.04 -0.04 3.20 3.31 1w2bB1 HIS 260 HD2 -0.06 -0.17 -0.13 -0.04 6.97 6.56 1w2bB1 HIS 260 HE1 -0.01 0.19 -0.33 -0.04 7.75 7.55 1w2bB1 GLN 261 H 0.04 0.19 0.11 -0.55 8.47 8.27 1w2bB1 GLN 261 HA -0.10 0.22 0.81 -0.75 4.36 4.54 1w2bB1 GLN 261 HB2 -0.10 0.02 -0.02 -0.04 2.15 2.01 1w2bB1 GLN 261 HB3 -0.04 0.02 0.06 -0.04 2.02 2.01 1w2bB1 GLN 261 HG2 -0.10 -0.01 -0.44 -0.04 2.40 1.81 1w2bB1 GLN 261 HG3 -0.15 -0.00 -0.07 -0.04 2.39 2.13 1w2bB1 GLN 261 HE21 -0.17 0.19 -0.15 -0.04 6.97 6.79 1w2bB1 GLN 261 HE22 -0.13 -0.03 -0.20 -0.04 7.69 7.28 1w2bB1 ARG 262 H -0.08 0.56 0.37 -0.55 8.46 8.76 1w2bB1 ARG 262 HA 0.06 0.12 0.74 -0.75 4.34 4.50 1w2bB1 ARG 262 HB2 -0.03 -0.00 0.09 -0.04 1.90 1.91 1w2bB1 ARG 262 HB3 0.02 -0.01 -0.02 -0.04 1.80 1.74 1w2bB1 ARG 262 HG2 0.03 0.03 -0.74 -0.04 1.67 0.94 1w2bB1 ARG 262 HG3 -0.05 -0.07 -0.11 -0.04 1.67 1.41 1w2bB1 ARG 262 HD2 0.00 -0.05 -0.02 -0.04 3.22 3.12 1w2bB1 ARG 262 HD3 0.31 0.10 0.10 -0.04 3.22 3.68 1w2bB1 THR 263 H 0.02 0.21 0.04 -0.55 8.28 8.00 1w2bB1 THR 263 HA -0.06 0.27 0.90 -0.75 4.39 4.74 1w2bB1 THR 263 HB 0.00 -0.01 0.14 -0.04 4.32 4.41 1w2bB1 THR 263 HG23 0.13 -0.00 -0.23 -0.04 1.22 1.07 1w2bB1 GLU 264 H -0.02 0.57 0.15 -0.55 8.60 8.75 1w2bB1 GLU 264 HA 0.02 -0.01 0.57 -0.75 4.29 4.12 1w2bB1 GLU 264 HB2 -0.02 -0.04 0.10 -0.04 2.09 2.10 1w2bB1 GLU 264 HB3 -0.01 0.03 0.19 -0.04 1.99 2.15 1w2bB1 GLU 264 HG2 0.01 0.12 -0.04 -0.04 2.34 2.39 1w2bB1 GLU 264 HG3 0.01 -0.08 0.06 -0.04 2.34 2.29 1w2bB1 LEU 265 H 0.03 0.08 0.20 -0.55 8.37 8.13 1w2bB1 LEU 265 HA 0.05 0.09 0.61 -0.75 4.35 4.34 1w2bB1 LEU 265 HB2 0.02 0.02 0.13 -0.04 1.64 1.77 1w2bB1 LEU 265 HB3 0.02 -0.07 0.15 -0.04 1.64 1.69 1w2bB1 LEU 265 HG 0.03 -0.07 0.01 -0.04 1.64 1.56 1w2bB1 LEU 265 HD13 0.03 -0.01 -0.01 -0.04 0.93 0.89 1w2bB1 LEU 265 HD23 0.01 0.01 0.03 -0.04 0.89 0.90 1w2bB1 ASN 266 H 0.04 0.02 0.07 -0.55 8.53 8.12 1w2bB1 ASN 266 HA 0.12 -0.00 0.26 -0.75 4.76 4.39 1w2bB1 ASN 266 HB2 -0.03 0.04 0.02 -0.04 2.88 2.87 1w2bB1 ASN 266 HB3 -0.18 -0.04 0.15 -0.04 2.79 2.68 1w2bB1 ASN 266 HD21 -0.06 0.35 0.10 -0.04 7.03 7.37 1w2bB1 ASN 266 HD22 -0.07 -0.02 0.01 -0.04 7.74 7.63 1w2bB1 LYS 267 H 0.15 0.82 0.04 -0.55 8.42 8.88 1w2bB1 LYS 267 HA 0.14 0.14 0.84 -0.75 4.32 4.68 1w2bB1 LYS 267 HB2 0.12 -0.09 -0.02 -0.04 1.87 1.85 1w2bB1 LYS 267 HB3 0.10 -0.01 -0.10 -0.04 1.79 1.75 1w2bB1 LYS 267 HG2 0.06 0.24 -0.15 -0.04 1.46 1.56 1w2bB1 LYS 267 HG3 0.02 -0.07 -0.05 -0.04 1.46 1.32 1w2bB1 LYS 267 HD2 0.05 0.13 -0.02 -0.04 1.69 1.80 1w2bB1 LYS 267 HD3 0.06 -0.02 0.03 -0.04 1.68 1.72 1w2bB1 LYS 267 HE2 0.02 -0.10 -0.03 -0.04 2.99 2.84 1w2bB1 LYS 267 HE3 0.00 0.09 0.07 -0.04 2.99 3.10 1w2bB1 ARG 268 H 0.20 0.21 0.15 -0.55 8.46 8.47 1w2bB1 ARG 268 HA -0.14 0.09 0.53 -0.75 4.34 4.06 1w2bB1 ARG 268 HB2 -0.02 -0.01 0.05 -0.04 1.90 1.88 1w2bB1 ARG 268 HB3 0.04 -0.06 0.13 -0.04 1.80 1.88 1w2bB1 ARG 268 HG2 -0.14 0.00 -0.55 -0.04 1.67 0.95 1w2bB1 ARG 268 HG3 -0.53 0.20 -0.12 -0.04 1.67 1.18 1w2bB1 ARG 268 HD2 -0.07 -0.04 -0.02 -0.04 3.22 3.05 1w2bB1 ARG 268 HD3 -0.02 -0.07 -0.05 -0.04 3.22 3.04 1w2bB1 LEU 269 H -0.07 0.74 0.27 -0.55 8.37 8.77 1w2bB1 LEU 269 HA 0.02 0.11 0.59 -0.75 4.35 4.32 1w2bB1 LEU 269 HB2 -0.02 -0.10 0.08 -0.04 1.64 1.56 1w2bB1 LEU 269 HB3 -0.05 -0.05 -0.08 -0.04 1.64 1.41 1w2bB1 LEU 269 HG 0.09 0.13 -0.06 -0.04 1.64 1.76 1w2bB1 LEU 269 HD13 -0.06 -0.02 -0.20 -0.04 0.93 0.61 1w2bB1 LEU 269 HD23 0.07 -0.00 -0.21 -0.04 0.89 0.71 1w2bB1 ILE 270 H 0.01 0.72 0.41 -0.55 8.25 8.84 1w2bB1 ILE 270 HA -0.02 0.10 0.59 -0.75 4.18 4.09 1w2bB1 ILE 270 HB 0.02 0.01 0.02 -0.04 1.89 1.89 1w2bB1 ILE 270 HG12 0.02 0.03 0.01 -0.04 1.49 1.51 1w2bB1 ILE 270 HG13 0.02 0.03 -0.10 -0.04 1.21 1.11 1w2bB1 ILE 270 HG23 0.01 -0.01 -0.21 -0.04 0.93 0.67 1w2bB1 ILE 270 HD13 -0.00 -0.01 -0.11 -0.04 0.88 0.73 1w2bB1 ASP 271 H 0.01 0.27 0.18 -0.55 8.40 8.31 1w2bB1 ASP 271 HA -0.02 0.07 0.46 -0.75 4.63 4.39 1w2bB1 ASP 271 HB2 0.02 0.24 -0.22 -0.04 2.71 2.71 1w2bB1 ASP 271 HB3 0.08 -0.06 -0.20 -0.04 2.70 2.47 1w2bB1 ILE 272 H -0.06 0.24 0.06 -0.55 8.25 7.94 1w2bB1 ILE 272 HA -0.19 0.22 0.91 -0.75 4.18 4.36 1w2bB1 ILE 272 HB -0.11 -0.04 0.15 -0.04 1.89 1.85 1w2bB1 ILE 272 HG12 -0.16 0.09 -0.15 -0.04 1.49 1.24 1w2bB1 ILE 272 HG13 -0.08 -0.21 -0.58 -0.04 1.21 0.29 1w2bB1 ILE 272 HG23 -0.19 0.04 -0.04 -0.04 0.93 0.70 1w2bB1 ILE 272 HD13 -0.08 0.00 -0.33 -0.04 0.88 0.43 1w2bB1 GLY 273 H -0.86 0.23 0.01 -0.55 8.43 7.26 1w2bB1 GLY 273 HA2 -0.24 0.20 0.80 -0.51 4.01 4.27 1w2bB1 GLY 273 HA3 -0.30 -0.00 0.28 -0.51 4.01 3.48 1w2bB1 GLU 274 H -0.12 0.25 0.15 -0.55 8.60 8.34 1w2bB1 GLU 274 HA -0.10 0.30 0.74 -0.75 4.29 4.47 1w2bB1 GLU 274 HB2 -0.09 0.03 -0.11 -0.04 2.09 1.88 1w2bB1 GLU 274 HB3 -0.07 -0.03 -0.10 -0.04 1.99 1.75 1w2bB1 GLU 274 HG2 0.02 -0.01 -0.50 -0.04 2.34 1.81 1w2bB1 GLU 274 HG3 0.03 -0.14 -0.35 -0.04 2.34 1.84 1w2bB1 GLY 275 H 0.19 0.73 0.34 -0.55 8.43 9.14 1w2bB1 GLY 275 HA2 0.08 0.09 0.26 -0.51 4.01 3.93 1w2bB1 GLY 275 HA3 0.11 0.17 0.94 -0.51 4.01 4.71 1w2bB1 ASP 276 H 0.07 0.20 0.10 -0.55 8.40 8.22 1w2bB1 ASP 276 HA 0.05 0.27 0.76 -0.75 4.63 4.96 1w2bB1 ASP 276 HB2 0.04 0.06 0.22 -0.04 2.71 2.99 1w2bB1 ASP 276 HB3 0.05 0.01 0.07 -0.04 2.70 2.79 1w2bB1 GLU 277 H 0.07 0.05 -0.28 -0.55 8.60 7.89 1w2bB1 GLU 277 HA -0.00 0.12 0.42 -0.75 4.29 4.07 1w2bB1 GLU 277 HB2 0.11 -0.02 -0.11 -0.04 2.09 2.03 1w2bB1 GLU 277 HB3 0.02 0.05 -0.08 -0.04 1.99 1.94 1w2bB1 GLU 277 HG2 0.04 0.05 -0.02 -0.04 2.34 2.37 1w2bB1 GLU 277 HG3 0.07 -0.14 -0.03 -0.04 2.34 2.19 1w2bB1 PRO 278 HA -0.15 0.26 0.67 -0.51 4.44 4.71 1w2bB1 PRO 278 HB2 -0.26 0.02 -0.14 -0.04 2.28 1.86 1w2bB1 PRO 278 HB3 -0.54 -0.00 -0.18 -0.04 2.02 1.25 1w2bB1 PRO 278 HG2 -0.35 0.03 -0.23 -0.04 2.03 1.45 1w2bB1 PRO 278 HG3 -1.61 0.01 -0.22 -0.04 2.03 0.16 1w2bB1 PRO 278 HD2 -0.21 0.01 -0.31 -0.04 3.68 3.12 1w2bB1 PRO 278 HD3 -0.71 0.06 -0.23 -0.04 3.65 2.73 1w2bB1 THR 279 H -0.00 0.08 -0.42 -0.55 8.28 7.39 1w2bB1 THR 279 HA 0.50 -0.05 0.32 -0.75 4.39 4.40 1w2bB1 THR 279 HB 0.04 0.18 0.06 -0.04 4.32 4.56 1w2bB1 THR 279 HG23 0.05 -0.04 -0.06 -0.04 1.22 1.13 1w2bB1 VAL 280 H -0.24 0.03 0.16 -0.55 8.24 7.63 1w2bB1 VAL 280 HA -0.19 0.34 0.93 -0.75 4.13 4.46 1w2bB1 VAL 280 HB -0.82 -0.13 -0.13 -0.04 2.12 1.00 1w2bB1 VAL 280 HG13 -0.23 0.10 -0.20 -0.04 0.97 0.59 1w2bB1 VAL 280 HG23 -0.80 0.03 -0.13 -0.04 0.95 0.00 1w2bB1 ASP 281 H -0.10 0.74 0.14 -0.55 8.40 8.63 1w2bB1 ASP 281 HA -0.04 0.03 0.48 -0.75 4.63 4.33 1w2bB1 ASP 281 HB2 -0.04 -0.14 0.26 -0.04 2.71 2.75 1w2bB1 ASP 281 HB3 -0.03 -0.00 0.04 -0.04 2.70 2.67 1w2bB1 GLY 282 H -0.02 0.15 0.16 -0.55 8.43 8.17 1w2bB1 GLY 282 HA2 -0.01 -0.01 0.40 -0.51 4.01 3.87 1w2bB1 GLY 282 HA3 -0.03 0.14 0.70 -0.51 4.01 4.31 1w2bB1 GLY 283 H -0.08 0.25 -0.77 -0.55 8.43 7.29 1w2bB1 GLY 283 HA2 0.04 0.01 0.19 -0.51 4.01 3.74 1w2bB1 GLY 283 HA3 0.03 0.18 0.71 -0.51 4.01 4.42 1w2bB1 PHE 284 H 0.33 0.72 0.26 -0.55 8.34 9.09 1w2bB1 PHE 284 HA 0.04 0.03 0.60 -0.75 4.62 4.55 1w2bB1 PHE 284 HB2 0.29 0.01 0.33 -0.04 3.15 3.73 1w2bB1 PHE 284 HB3 0.10 0.27 0.12 -0.04 3.06 3.50 1w2bB1 PHE 284 HD2 0.02 0.07 0.13 -0.04 7.28 7.46 1w2bB1 PHE 284 HE2 -0.05 -0.11 -0.12 -0.04 7.38 7.06 1w2bB1 PHE 284 HZ -0.08 0.24 -0.17 -0.04 7.32 7.26 1w2bB1 VAL 285 H 0.05 0.15 0.24 -0.55 8.24 8.13 1w2bB1 VAL 285 HA 0.07 -0.03 0.33 -0.75 4.13 3.74 1w2bB1 VAL 285 HB 0.07 -0.00 0.18 -0.04 2.12 2.32 1w2bB1 VAL 285 HG13 0.04 0.00 -0.08 -0.04 0.97 0.89 1w2bB1 VAL 285 HG23 0.01 0.03 0.12 -0.04 0.95 1.07 1w2bB1 ASN 286 H 0.07 0.08 0.16 -0.55 8.53 8.29 1w2bB1 ASN 286 HA 0.06 -0.02 0.35 -0.75 4.76 4.39 1w2bB1 ASN 286 HB2 0.09 0.23 -0.02 -0.04 2.88 3.14 1w2bB1 ASN 286 HB3 0.07 0.02 0.27 -0.04 2.79 3.11 1w2bB1 ASN 286 HD21 0.03 -0.03 -0.03 -0.04 7.03 6.96 1w2bB1 ASN 286 HD22 0.05 0.05 -0.14 -0.04 7.74 7.66 1w2bB1 TYR 287 H 0.19 0.43 -0.15 -0.55 8.29 8.21 1w2bB1 TYR 287 HA 0.03 0.21 0.89 -0.75 4.56 4.94 1w2bB1 TYR 287 HB2 0.07 0.06 -0.19 -0.04 3.06 2.97 1w2bB1 TYR 287 HB3 0.18 -0.17 0.18 -0.04 2.98 3.12 1w2bB1 TYR 287 HD2 0.01 -0.00 -0.07 -0.04 7.15 7.05 1w2bB1 TYR 287 HE2 -0.05 -0.06 -0.12 -0.04 6.85 6.58 1w2bB1 GLY 288 H 0.39 0.23 0.31 -0.55 8.43 8.82 1w2bB1 GLY 288 HA2 0.05 0.02 0.30 -0.51 4.01 3.88 1w2bB1 GLY 288 HA3 -0.09 0.21 0.74 -0.51 4.01 4.37 1w2bB1 GLU 289 H 0.05 0.22 0.16 -0.55 8.60 8.48 1w2bB1 GLU 289 HA 0.21 0.05 0.88 -0.75 4.29 4.67 1w2bB1 GLU 289 HB2 0.05 0.03 0.08 -0.04 2.09 2.20 1w2bB1 GLU 289 HB3 0.07 0.08 0.01 -0.04 1.99 2.11 1w2bB1 GLU 289 HG2 0.05 -0.00 -0.04 -0.04 2.34 2.31 1w2bB1 GLU 289 HG3 0.04 -0.02 0.01 -0.04 2.34 2.33 1w2bB1 VAL 290 H 0.23 0.06 0.20 -0.55 8.24 8.18 1w2bB1 VAL 290 HA 0.12 0.17 0.66 -0.75 4.13 4.32 1w2bB1 VAL 290 HB 0.11 -0.08 0.02 -0.04 2.12 2.13 1w2bB1 VAL 290 HG13 0.01 0.03 -0.15 -0.04 0.97 0.82 1w2bB1 VAL 290 HG23 -0.06 0.02 -0.14 -0.04 0.95 0.72 1w2bB1 ASP 291 H 0.09 0.15 -0.01 -0.55 8.40 8.08 1w2bB1 ASP 291 HA 0.08 0.30 0.08 -0.75 4.63 4.33 1w2bB1 ASP 291 HB2 0.05 0.15 0.00 -0.04 2.71 2.88 1w2bB1 ASP 291 HB3 0.05 0.02 -0.05 -0.04 2.70 2.67 1w2bB1 GLY 292 H 0.15 0.53 0.37 -0.55 8.43 8.93 1w2bB1 GLY 292 HA2 0.06 0.03 0.37 -0.51 4.01 3.96 1w2bB1 GLY 292 HA3 0.07 0.23 0.61 -0.51 4.01 4.41 1w2bB1 PRO 293 HA -0.08 0.14 0.69 -0.51 4.44 4.68 1w2bB1 PRO 293 HB2 0.04 -0.00 -0.16 -0.04 2.28 2.11 1w2bB1 PRO 293 HB3 -0.03 0.05 0.07 -0.04 2.02 2.07 1w2bB1 PRO 293 HG2 0.02 0.06 0.16 -0.04 2.03 2.23 1w2bB1 PRO 293 HG3 0.00 0.02 0.10 -0.04 2.03 2.10 1w2bB1 PRO 293 HD2 0.05 0.17 0.25 -0.04 3.68 4.11 1w2bB1 PRO 293 HD3 0.04 0.12 0.28 -0.04 3.65 4.06 1w2bB1 TYR 294 H -0.39 0.67 0.42 -0.55 8.29 8.44 1w2bB1 TYR 294 HA -0.01 0.03 0.82 -0.75 4.56 4.65 1w2bB1 TYR 294 HB2 -0.03 -0.01 -0.02 -0.04 3.06 2.96 1w2bB1 TYR 294 HB3 -0.00 0.03 -0.31 -0.04 2.98 2.66 1w2bB1 TYR 294 HD2 -0.01 0.13 -0.36 -0.04 7.15 6.86 1w2bB1 TYR 294 HE2 -0.01 -0.04 -0.40 -0.04 6.85 6.36 1w2bB1 THR 295 H 0.20 0.49 0.30 -0.55 8.28 8.71 1w2bB1 THR 295 HA -0.02 0.16 0.89 -0.75 4.39 4.66 1w2bB1 THR 295 HB -0.07 0.04 -0.07 -0.04 4.32 4.17 1w2bB1 THR 295 HG23 -0.22 -0.01 -0.20 -0.04 1.22 0.76 1w2bB1 LEU 296 H 0.04 0.55 0.26 -0.55 8.37 8.68 1w2bB1 LEU 296 HA 0.06 0.28 0.94 -0.75 4.35 4.88 1w2bB1 LEU 296 HB2 0.05 -0.19 0.14 -0.04 1.64 1.60 1w2bB1 LEU 296 HB3 0.03 0.07 -0.12 -0.04 1.64 1.58 1w2bB1 LEU 296 HG 0.26 -0.06 -0.33 -0.04 1.64 1.47 1w2bB1 LEU 296 HD13 0.03 0.01 -0.23 -0.04 0.93 0.70 1w2bB1 LEU 296 HD23 -0.05 0.06 -0.26 -0.04 0.89 0.60 1w2bB1 VAL 297 H 0.06 0.60 0.09 -0.55 8.24 8.43 1w2bB1 VAL 297 HA 0.07 0.13 1.01 -0.75 4.13 4.58 1w2bB1 VAL 297 HB 0.08 0.06 -0.02 -0.04 2.12 2.19 1w2bB1 VAL 297 HG13 0.08 0.04 -0.40 -0.04 0.97 0.66 1w2bB1 VAL 297 HG23 0.29 -0.02 -0.29 -0.04 0.95 0.89 1w2bB1 LYS 298 H 0.05 0.51 0.20 -0.55 8.42 8.62 1w2bB1 LYS 298 HA 0.04 0.17 0.47 -0.75 4.32 4.24 1w2bB1 LYS 298 HB2 0.04 0.01 0.15 -0.04 1.87 2.03 1w2bB1 LYS 298 HB3 0.06 -0.09 0.23 -0.04 1.79 1.95 1w2bB1 LYS 298 HG2 0.05 -0.01 -0.15 -0.04 1.46 1.31 1w2bB1 LYS 298 HG3 0.04 0.04 0.06 -0.04 1.46 1.57 1w2bB1 LYS 298 HD2 0.06 -0.01 0.02 -0.04 1.69 1.71 1w2bB1 LYS 298 HD3 0.09 -0.04 0.05 -0.04 1.68 1.74 1w2bB1 LYS 298 HE2 0.05 -0.00 -0.00 -0.04 2.99 3.00 1w2bB1 LYS 298 HE3 0.05 0.00 0.01 -0.04 2.99 3.01 1w2bB1 GLY 299 H 0.04 0.27 0.01 -0.55 8.43 8.20 1w2bB1 GLY 299 HA2 0.03 -0.07 0.26 -0.51 4.01 3.72 1w2bB1 GLY 299 HA3 0.03 0.09 0.62 -0.51 4.01 4.24 1w2bB1 SER 300 H 0.01 0.09 0.14 -0.55 8.46 8.16 1w2bB1 SER 300 HA -0.00 0.17 0.78 -0.75 4.49 4.69 1w2bB1 SER 300 HB2 -0.02 0.04 -0.06 -0.04 3.95 3.88 1w2bB1 SER 300 HB3 -0.00 -0.02 -0.02 -0.04 3.93 3.85 1w2bB1 VAL 301 H -0.03 0.25 0.09 -0.55 8.24 8.00 1w2bB1 VAL 301 HA -0.06 0.15 0.76 -0.75 4.13 4.23 1w2bB1 VAL 301 HB -0.05 -0.04 0.01 -0.04 2.12 2.00 1w2bB1 VAL 301 HG13 -0.12 0.07 -0.25 -0.04 0.97 0.63 1w2bB1 VAL 301 HG23 -0.06 -0.00 -0.27 -0.04 0.95 0.58 1w2bB1 PRO 302 HA -0.05 -0.05 0.26 -0.51 4.44 4.09 1w2bB1 PRO 302 HB2 -0.08 0.01 -0.24 -0.04 2.28 1.93 1w2bB1 PRO 302 HB3 -0.06 -0.04 0.06 -0.04 2.02 1.94 1w2bB1 PRO 302 HG2 -0.12 0.03 -0.26 -0.04 2.03 1.65 1w2bB1 PRO 302 HG3 -0.09 0.15 -0.02 -0.04 2.03 2.03 1w2bB1 PRO 302 HD2 -0.09 0.10 0.10 -0.04 3.68 3.75 1w2bB1 PRO 302 HD3 -0.06 0.08 0.10 -0.04 3.65 3.72 1w2bB1 GLY 303 H -0.04 -0.17 0.06 -0.55 8.43 7.73 1w2bB1 GLY 303 HA2 -0.02 -0.10 0.24 -0.51 4.01 3.62 1w2bB1 GLY 303 HA3 -0.04 0.18 0.23 -0.51 4.01 3.86 1w2bB1 PRO 304 HA 0.00 0.13 0.66 -0.51 4.44 4.73 1w2bB1 PRO 304 HB2 0.04 0.07 0.14 -0.04 2.28 2.49 1w2bB1 PRO 304 HB3 0.02 -0.05 0.08 -0.04 2.02 2.04 1w2bB1 PRO 304 HG2 0.05 0.07 -0.17 -0.04 2.03 1.94 1w2bB1 PRO 304 HG3 0.05 0.00 0.05 -0.04 2.03 2.09 1w2bB1 PRO 304 HD2 0.01 0.16 0.18 -0.04 3.68 3.99 1w2bB1 PRO 304 HD3 0.03 0.03 0.08 -0.04 3.65 3.75 1w2bB1 ASP 305 H 0.03 0.10 0.12 -0.55 8.40 8.12 1w2bB1 ASP 305 HA -0.04 0.02 0.32 -0.75 4.63 4.18 1w2bB1 ASP 305 HB2 0.13 0.07 0.06 -0.04 2.71 2.93 1w2bB1 ASP 305 HB3 0.04 0.10 -0.08 -0.04 2.70 2.71 1w2bB1 LYS 306 H 0.10 0.53 0.20 -0.55 8.42 8.70 1w2bB1 LYS 306 HA 0.31 0.01 0.31 -0.75 4.32 4.20 1w2bB1 LYS 306 HB2 0.11 0.25 0.57 -0.04 1.87 2.76 1w2bB1 LYS 306 HB3 0.10 -0.12 0.18 -0.04 1.79 1.90 1w2bB1 LYS 306 HG2 0.10 0.00 -0.02 -0.04 1.46 1.51 1w2bB1 LYS 306 HG3 0.29 -0.06 -0.48 -0.04 1.46 1.17 1w2bB1 LYS 306 HD2 0.07 -0.00 0.10 -0.04 1.69 1.82 1w2bB1 LYS 306 HD3 0.02 -0.12 0.11 -0.04 1.68 1.65 1w2bB1 LYS 306 HE2 -0.06 0.14 0.14 -0.04 2.99 3.17 1w2bB1 LYS 306 HE3 0.07 0.40 0.22 -0.04 2.99 3.64 1w2bB1 ARG 307 H 0.08 0.33 -0.33 -0.55 8.46 7.98 1w2bB1 ARG 307 HA 0.11 0.04 0.58 -0.75 4.34 4.31 1w2bB1 ARG 307 HB2 0.04 0.00 0.03 -0.04 1.90 1.92 1w2bB1 ARG 307 HB3 -0.00 0.11 0.05 -0.04 1.80 1.92 1w2bB1 ARG 307 HG2 -0.04 0.19 0.00 -0.04 1.67 1.78 1w2bB1 ARG 307 HG3 0.01 -0.07 0.12 -0.04 1.67 1.69 1w2bB1 ARG 307 HD2 -0.04 -0.06 0.04 -0.04 3.22 3.13 1w2bB1 ARG 307 HD3 -0.10 -0.31 0.11 -0.04 3.22 2.88 1w2bB1 LEU 308 H 0.04 0.09 0.22 -0.55 8.37 8.17 1w2bB1 LEU 308 HA -0.42 0.15 0.63 -0.75 4.35 3.95 1w2bB1 LEU 308 HB2 -0.08 -0.02 0.10 -0.04 1.64 1.60 1w2bB1 LEU 308 HB3 -0.07 -0.01 0.16 -0.04 1.64 1.68 1w2bB1 LEU 308 HG -0.24 0.19 -0.29 -0.04 1.64 1.25 1w2bB1 LEU 308 HD13 -0.63 -0.00 -0.03 -0.04 0.93 0.23 1w2bB1 LEU 308 HD23 -0.08 -0.04 -0.10 -0.04 0.89 0.64 1w2bB1 VAL 309 H -0.28 0.65 0.47 -0.55 8.24 8.53 1w2bB1 VAL 309 HA -0.19 0.26 0.98 -0.75 4.13 4.43 1w2bB1 VAL 309 HB -0.32 -0.06 0.03 -0.04 2.12 1.72 1w2bB1 VAL 309 HG13 -0.14 0.03 -0.22 -0.04 0.97 0.60 1w2bB1 VAL 309 HG23 -0.15 0.03 -0.14 -0.04 0.95 0.64 1w2bB1 ARG 310 H -0.25 0.41 0.26 -0.55 8.46 8.34 1w2bB1 ARG 310 HA 0.03 0.14 0.96 -0.75 4.34 4.72 1w2bB1 ARG 310 HB2 -0.18 -0.04 -0.00 -0.04 1.90 1.64 1w2bB1 ARG 310 HB3 0.32 0.01 -0.11 -0.04 1.80 1.98 1w2bB1 ARG 310 HG2 -0.01 0.12 -0.06 -0.04 1.67 1.68 1w2bB1 ARG 310 HG3 -0.08 0.02 -0.31 -0.04 1.67 1.27 1w2bB1 ARG 310 HD2 0.30 -0.00 -0.18 -0.04 3.22 3.30 1w2bB1 ARG 310 HD3 0.11 -0.04 -0.20 -0.04 3.22 3.04 1w2bB1 PHE 311 H 0.40 0.85 0.38 -0.55 8.34 9.42 1w2bB1 PHE 311 HA 0.14 0.31 0.85 -0.75 4.62 5.17 1w2bB1 PHE 311 HB2 -0.10 0.01 0.02 -0.04 3.15 3.04 1w2bB1 PHE 311 HB3 -0.21 -0.05 -0.09 -0.04 3.06 2.67 1w2bB1 PHE 311 HD2 -0.08 0.09 -0.15 -0.04 7.28 7.09 1w2bB1 PHE 311 HE2 -0.07 -0.01 -0.28 -0.04 7.38 6.98 1w2bB1 PHE 311 HZ -0.06 0.01 -0.26 -0.04 7.32 6.97 1w2bB1 ARG 312 H 0.29 0.33 0.32 -0.55 8.46 8.86 1w2bB1 ARG 312 HA 0.20 0.22 0.64 -0.75 4.34 4.64 1w2bB1 ARG 312 HB2 -0.90 0.10 0.07 -0.04 1.90 1.12 1w2bB1 ARG 312 HB3 -0.54 -0.02 -0.02 -0.04 1.80 1.17 1w2bB1 ARG 312 HG2 -0.08 0.21 -0.53 -0.04 1.67 1.23 1w2bB1 ARG 312 HG3 -0.34 0.05 0.03 -0.04 1.67 1.38 1w2bB1 ARG 312 HD2 -0.18 -0.08 -0.10 -0.04 3.22 2.81 1w2bB1 ARG 312 HD3 -0.12 -0.11 -0.17 -0.04 3.22 2.79 1w2bB1 PRO 313 HA 0.15 0.02 0.51 -0.51 4.44 4.61 1w2bB1 PRO 313 HB2 -0.02 0.02 0.07 -0.04 2.28 2.31 1w2bB1 PRO 313 HB3 -0.09 0.04 0.09 -0.04 2.02 2.01 1w2bB1 PRO 313 HG2 -0.16 0.08 0.05 -0.04 2.03 1.96 1w2bB1 PRO 313 HG3 -0.53 0.05 -0.02 -0.04 2.03 1.49 1w2bB1 PRO 313 HD2 0.07 0.16 0.14 -0.04 3.68 4.01 1w2bB1 PRO 313 HD3 0.14 0.11 -0.14 -0.04 3.65 3.72 1w2bB1 ALA 314 H 0.15 0.53 0.41 -0.55 8.40 8.95 1w2bB1 ALA 314 HA 0.07 -0.10 0.19 -0.75 4.34 3.74 1w2bB1 ALA 314 HB3 0.11 -0.03 -0.11 -0.04 1.41 1.33 1w2bB1 VAL 315 H 0.01 0.02 0.09 -0.55 8.24 7.81 1w2bB1 VAL 315 HA 0.01 0.16 0.64 -0.75 4.13 4.19 1w2bB1 VAL 315 HB -0.01 0.01 -0.08 -0.04 2.12 2.00 1w2bB1 VAL 315 HG13 -0.04 0.01 -0.17 -0.04 0.97 0.73 1w2bB1 VAL 315 HG23 -0.01 -0.01 -0.04 -0.04 0.95 0.85 1w2bB1 ARG 316 H 0.00 -0.03 -0.12 -0.55 8.46 7.75 1w2bB1 ARG 316 HA -0.01 0.26 0.79 -0.75 4.34 4.63 1w2bB1 ARG 316 HB2 -0.01 0.05 0.09 -0.04 1.90 1.98 1w2bB1 ARG 316 HB3 -0.01 0.04 -0.05 -0.04 1.80 1.74 1w2bB1 ARG 316 HG2 -0.00 -0.10 0.02 -0.04 1.67 1.55 1w2bB1 ARG 316 HG3 -0.01 -0.04 0.15 -0.04 1.67 1.73 1w2bB1 ARG 316 HD2 -0.01 0.03 -0.02 -0.04 3.22 3.19 1w2bB1 ARG 316 HD3 -0.01 -0.02 0.01 -0.04 3.22 3.16 1w2bB1 PRO 317 HA -0.09 -0.02 0.48 -0.51 4.44 4.29 1w2bB1 PRO 317 HB2 -0.02 0.10 -0.13 -0.04 2.28 2.19 1w2bB1 PRO 317 HB3 -0.01 -0.00 0.06 -0.04 2.02 2.03 1w2bB1 PRO 317 HG2 0.02 0.07 -0.06 -0.04 2.03 2.01 1w2bB1 PRO 317 HG3 0.03 0.06 -0.21 -0.04 2.03 1.86 1w2bB1 PRO 317 HD2 -0.01 0.12 0.01 -0.04 3.68 3.76 1w2bB1 PRO 317 HD3 0.00 0.28 -0.63 -0.04 3.65 3.26 1w2bB1 ASN 318 H -0.22 -0.03 0.21 -0.55 8.53 7.94 1w2bB1 ASN 318 HA -0.06 0.24 0.93 -0.75 4.76 5.12 1w2bB1 ASN 318 HB2 -0.14 -0.04 0.11 -0.04 2.88 2.77 1w2bB1 ASN 318 HB3 -0.07 -0.01 0.02 -0.04 2.79 2.69 1w2bB1 ASN 318 HD21 -0.04 0.01 -0.04 -0.04 7.03 6.92 1w2bB1 ASN 318 HD22 -0.08 -0.03 -0.00 -0.04 7.74 7.59 1w2bB1 ASP 319 H -0.28 -0.05 0.17 -0.55 8.40 7.70 1w2bB1 ASP 319 HA -0.02 0.22 0.94 -0.75 4.63 5.01 1w2bB1 ASP 319 HB2 -0.16 -0.03 0.05 -0.04 2.71 2.53 1w2bB1 ASP 319 HB3 0.08 0.11 0.06 -0.04 2.70 2.90 1w2bB1 GLN 320 H 0.05 0.09 0.13 -0.55 8.47 8.20 1w2bB1 GLN 320 HA 0.07 0.12 0.53 -0.75 4.36 4.33 1w2bB1 GLN 320 HB2 0.03 -0.05 0.10 -0.04 2.15 2.19 1w2bB1 GLN 320 HB3 0.05 0.03 0.03 -0.04 2.02 2.09 1w2bB1 GLN 320 HG2 0.02 -0.03 0.02 -0.04 2.40 2.38 1w2bB1 GLN 320 HG3 0.04 0.09 0.09 -0.04 2.39 2.58 1w2bB1 GLN 320 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 1w2bB1 GLN 320 HE22 0.02 -0.02 0.00 -0.04 7.69 7.64 1w2bB1 PRO 321 HA 0.08 0.08 0.36 -0.51 4.44 4.45 1w2bB1 PRO 321 HB2 0.02 -0.00 0.03 -0.04 2.28 2.29 1w2bB1 PRO 321 HB3 0.02 -0.00 0.01 -0.04 2.02 2.01 1w2bB1 PRO 321 HG2 0.04 0.04 0.09 -0.04 2.03 2.15 1w2bB1 PRO 321 HG3 0.09 0.02 0.09 -0.04 2.03 2.20 1w2bB1 PRO 321 HD2 0.04 0.08 0.20 -0.04 3.68 3.96 1w2bB1 PRO 321 HD3 0.07 0.16 0.24 -0.04 3.65 4.08 1w2bB1 ARG 322 H -0.02 0.23 -0.09 -0.55 8.46 8.03 1w2bB1 ARG 322 HA 0.01 0.13 0.64 -0.75 4.34 4.36 1w2bB1 ARG 322 HB2 0.00 -0.03 0.11 -0.04 1.90 1.94 1w2bB1 ARG 322 HB3 0.01 0.02 0.09 -0.04 1.80 1.88 1w2bB1 ARG 322 HG2 0.03 0.01 -0.06 -0.04 1.67 1.61 1w2bB1 ARG 322 HG3 0.05 0.22 -0.47 -0.04 1.67 1.43 1w2bB1 ARG 322 HD2 0.08 -0.07 -0.05 -0.04 3.22 3.13 1w2bB1 ARG 322 HD3 0.12 0.10 -0.08 -0.04 3.22 3.32 1w2bB1 LEU 323 H -0.01 0.08 -0.15 -0.55 8.37 7.74 1w2bB1 LEU 323 HA -0.03 0.11 0.46 -0.75 4.35 4.14 1w2bB1 LEU 323 HB2 -0.01 -0.00 -0.02 -0.04 1.64 1.57 1w2bB1 LEU 323 HB3 -0.02 0.02 0.04 -0.04 1.64 1.64 1w2bB1 LEU 323 HG -0.01 -0.02 -0.04 -0.04 1.64 1.53 1w2bB1 LEU 323 HD13 -0.01 0.00 -0.02 -0.04 0.93 0.85 1w2bB1 LEU 323 HD23 -0.02 -0.02 -0.06 -0.04 0.89 0.76 1w2bB1 ASP 324 H -0.02 0.55 0.11 -0.55 8.40 8.49 1w2bB1 ASP 324 HA -0.02 -0.03 0.34 -0.75 4.63 4.17 1w2bB1 ASP 324 HB2 -0.01 0.03 -0.11 -0.04 2.71 2.57 1w2bB1 ASP 324 HB3 -0.01 0.01 0.07 -0.04 2.70 2.73 1w2bB1 PRO 325 HA -0.00 0.08 0.44 -0.51 4.44 4.44 1w2bB1 PRO 325 HB2 -0.01 0.02 -0.00 -0.04 2.28 2.25 1w2bB1 PRO 325 HB3 -0.01 -0.02 0.06 -0.04 2.02 2.02 1w2bB1 PRO 325 HG2 -0.04 0.05 0.10 -0.04 2.03 2.10 1w2bB1 PRO 325 HG3 -0.03 0.17 0.01 -0.04 2.03 2.13 1w2bB1 PRO 325 HD2 -0.02 0.16 0.13 -0.04 3.68 3.91 1w2bB1 PRO 325 HD3 -0.03 0.01 -0.21 -0.04 3.65 3.37 1w2bB1 GLU 326 H 0.01 0.18 0.17 -0.55 8.60 8.41 1w2bB1 GLU 326 HA 0.01 0.12 0.62 -0.75 4.29 4.28 1w2bB1 GLU 326 HB2 0.01 0.08 0.14 -0.04 2.09 2.28 1w2bB1 GLU 326 HB3 0.01 -0.10 0.21 -0.04 1.99 2.08 1w2bB1 GLU 326 HG2 0.02 -0.03 -0.16 -0.04 2.34 2.13 1w2bB1 GLU 326 HG3 0.01 0.04 -0.01 -0.04 2.34 2.34 1w2bB1 VAL 327 H 0.01 0.26 0.13 -0.55 8.24 8.09 1w2bB1 VAL 327 HA 0.02 0.16 0.77 -0.75 4.13 4.33 1w2bB1 VAL 327 HB 0.01 -0.02 0.13 -0.04 2.12 2.20 1w2bB1 VAL 327 HG13 -0.01 -0.02 -0.26 -0.04 0.97 0.64 1w2bB1 VAL 327 HG23 0.01 0.05 -0.16 -0.04 0.95 0.81 1w2bB1 ARG 328 H 0.04 0.33 0.19 -0.55 8.46 8.47 1w2bB1 ARG 328 HA 0.05 0.09 0.48 -0.75 4.34 4.21 1w2bB1 ARG 328 HB2 0.06 0.03 0.04 -0.04 1.90 1.99 1w2bB1 ARG 328 HB3 0.06 -0.04 0.01 -0.04 1.80 1.78 1w2bB1 ARG 328 HG2 0.03 -0.00 -0.05 -0.04 1.67 1.60 1w2bB1 ARG 328 HG3 0.03 0.02 -0.12 -0.04 1.67 1.55 1w2bB1 ARG 328 HD2 0.03 -0.01 -0.07 -0.04 3.22 3.13 1w2bB1 ARG 328 HD3 0.02 -0.03 -0.03 -0.04 3.22 3.14 1w2bB1 TYR 329 H 0.08 0.41 0.09 -0.55 8.29 8.32 1w2bB1 TYR 329 HA -0.02 0.19 0.70 -0.75 4.56 4.68 1w2bB1 TYR 329 HB2 -0.01 0.10 -0.15 -0.04 3.06 2.96 1w2bB1 TYR 329 HB3 -0.01 -0.10 -0.00 -0.04 2.98 2.82 1w2bB1 TYR 329 HD2 -0.03 0.01 -0.03 -0.04 7.15 7.06 1w2bB1 TYR 329 HE2 -0.04 -0.01 -0.04 -0.04 6.85 6.71 1w2bB1 VAL 330 H -0.62 0.29 0.14 -0.55 8.24 7.50 1w2bB1 VAL 330 HA -0.50 0.13 1.00 -0.75 4.13 4.01 1w2bB1 VAL 330 HB -0.23 0.04 0.02 -0.04 2.12 1.91 1w2bB1 VAL 330 HG13 -0.20 0.03 -0.16 -0.04 0.97 0.60 1w2bB1 VAL 330 HG23 -0.11 -0.01 -0.27 -0.04 0.95 0.51 1w2bB1 SER 331 H -0.61 0.53 0.27 -0.55 8.46 8.09 1w2bB1 SER 331 HA -0.35 -0.02 0.67 -0.75 4.49 4.04 1w2bB1 SER 331 HB2 -0.71 -0.03 0.10 -0.04 3.95 3.27 1w2bB1 SER 331 HB3 -0.51 0.01 0.27 -0.04 3.93 3.66 1w2bB1 ASN 332 H -0.03 0.06 0.28 -0.55 8.53 8.29 1w2bB1 ASN 332 HA -0.10 0.45 0.79 -0.75 4.76 5.15 1w2bB1 ASN 332 HB2 0.00 -0.11 0.07 -0.04 2.88 2.80 1w2bB1 ASN 332 HB3 -0.03 -0.04 0.08 -0.04 2.79 2.76 1w2bB1 ASN 332 HD21 -0.00 0.02 0.03 -0.04 7.03 7.03 1w2bB1 ASN 332 HD22 0.04 -0.11 0.05 -0.04 7.74 7.67 1w2bB1 GLU 333 H 0.01 -0.05 0.04 -0.55 8.60 8.04 1w2bB1 GLU 333 HA -0.00 -0.04 0.44 -0.75 4.29 3.93 1w2bB1 GLU 333 HB2 0.07 -0.05 0.14 -0.04 2.09 2.20 1w2bB1 GLU 333 HB3 0.07 0.01 0.07 -0.04 1.99 2.09 1w2bB1 GLU 333 HG2 0.01 0.33 -0.25 -0.04 2.34 2.40 1w2bB1 GLU 333 HG3 0.02 -0.08 0.07 -0.04 2.34 2.30 1w2bB1 SER 334 H -0.02 0.02 0.25 -0.55 8.46 8.15 1w2bB1 SER 334 HA -0.09 0.18 0.48 -0.75 4.49 4.31 1w2bB1 SER 334 HB2 -0.03 -0.04 0.14 -0.04 3.95 3.98 1w2bB1 SER 334 HB3 -0.02 -0.02 0.18 -0.04 3.93 4.03 1w2bB1 ASN 335 H -0.10 0.24 0.16 -0.55 8.53 8.29 1w2bB1 ASN 335 HA -0.03 0.19 0.75 -0.75 4.76 4.91 1w2bB1 ASN 335 HB2 -0.09 -0.03 0.22 -0.04 2.88 2.94 1w2bB1 ASN 335 HB3 -0.03 -0.02 0.29 -0.04 2.79 3.00 1w2bB1 ASN 335 HD21 -0.20 0.10 0.04 -0.04 7.03 6.92 1w2bB1 ASN 335 HD22 -0.26 -0.12 0.11 -0.04 7.74 7.42 1w2bB1 GLN 336 H -0.03 0.17 -0.68 -0.55 8.47 7.39 1w2bB1 GLN 336 HA -0.01 0.16 0.81 -0.75 4.36 4.56 1w2bB1 GLN 336 HB2 -0.02 -0.04 0.08 -0.04 2.15 2.14 1w2bB1 GLN 336 HB3 -0.01 -0.00 -0.01 -0.04 2.02 1.96 1w2bB1 GLN 336 HG2 -0.01 0.11 -0.09 -0.04 2.40 2.38 1w2bB1 GLN 336 HG3 -0.02 -0.06 -0.24 -0.04 2.39 2.03 1w2bB1 GLN 336 HE21 -0.00 0.01 -0.02 -0.04 6.97 6.91 1w2bB1 GLN 336 HE22 -0.01 0.05 -0.08 -0.04 7.69 7.61 1w2bB1 GLY 337 H -0.01 0.24 -0.02 -0.55 8.43 8.09 1w2bB1 GLY 337 HA2 -0.00 0.04 0.14 -0.51 4.01 3.67 1w2bB1 GLY 337 HA3 -0.00 0.26 0.75 -0.51 4.01 4.51