============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 8 1.040 -14.006 27.675 29.408 -99.200 -91.000 TRP6 8 1.020 -11.791 27.636 28.544 -99.200 -91.000 TRP 19 1.040 -18.817 36.978 16.767 -99.200 -91.000 TRP6 19 1.020 -19.720 36.522 18.913 -99.200 -91.000 TYR 40 0.840 -33.485 17.437 11.364 -99.200 -91.000 HIS 42 0.900 -30.116 23.207 20.145 -99.200 -91.000 TRP 51 1.040 -26.042 18.562 1.714 -99.200 -91.000 TRP6 51 1.020 -23.946 17.724 1.021 -99.200 -91.000 HIS 73 0.900 -17.753 14.069 19.416 -99.200 -91.000 HIS 76 0.900 -20.199 20.030 23.396 -99.200 -91.000 TYR 100 0.840 -22.113 22.341 2.665 -99.200 -91.000 TYR 113 0.840 -8.899 5.334 9.498 -99.200 -91.000 TYR 163 0.840 -9.335 4.295 2.347 -99.200 -91.000 TYR 165 0.840 -1.250 12.061 2.885 -99.200 -91.000 TYR 172 0.840 -2.733 21.598 1.170 -99.200 -91.000 TYR 192 0.840 -1.673 8.922 10.935 -99.200 -91.000 TYR 196 0.840 -2.891 11.486 6.790 -99.200 -91.000 PHE 214 1.000 -8.418 15.873 27.382 -99.200 -91.000 TYR 232 0.840 -25.000 15.974 24.398 -99.200 -91.000 TYR 237 0.840 -28.552 24.989 25.065 -99.200 -91.000 HIS 249 0.900 -13.570 26.349 21.359 -99.200 -91.000 TYR 261 0.840 -7.656 37.482 1.973 -99.200 -91.000 TYR 262 0.840 -15.984 35.564 -1.751 -99.200 -91.000 TYR 265 0.840 -8.264 41.916 0.628 -99.200 -91.000 PHE 274 1.000 4.049 22.152 12.275 -99.200 -91.000 HIS 287 0.900 1.095 27.872 11.628 -99.200 -91.000 TRP 298 1.040 4.880 23.613 17.229 -99.200 -91.000 TRP6 298 1.020 5.984 21.678 18.019 -99.200 -91.000 TYR 302 0.840 0.319 25.493 26.283 -99.200 -91.000 TYR 304 0.840 3.556 27.273 14.548 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z57A1 GLN 81 HA 0.11 -0.02 0.25 -0.75 4.36 3.94 2z57A1 GLN 81 HB2 0.04 -0.04 0.02 -0.04 2.15 2.13 2z57A1 GLN 81 HB3 0.08 0.04 -0.08 -0.04 2.02 2.02 2z57A1 GLN 81 HG2 0.03 -0.02 0.06 -0.04 2.40 2.43 2z57A1 GLN 81 HG3 0.04 -0.05 0.01 -0.04 2.39 2.36 2z57A1 GLN 81 HE21 -0.14 0.40 0.20 -0.04 6.97 7.40 2z57A1 GLN 81 HE22 -0.05 -0.08 0.12 -0.04 7.69 7.64 2z57A1 PRO 82 HA -0.01 0.05 0.51 -0.51 4.44 4.48 2z57A1 PRO 82 HB2 -0.11 0.18 -0.00 -0.04 2.28 2.31 2z57A1 PRO 82 HB3 -0.04 -0.02 0.09 -0.04 2.02 2.01 2z57A1 PRO 82 HG2 -0.38 -0.06 0.02 -0.04 2.03 1.57 2z57A1 PRO 82 HG3 -0.23 -0.00 0.02 -0.04 2.03 1.78 2z57A1 PRO 82 HD2 0.18 0.06 0.17 -0.04 3.68 4.04 2z57A1 PRO 82 HD3 0.11 0.12 0.14 -0.04 3.65 3.99 2z57A1 ALA 83 H -0.02 0.03 0.17 -0.55 8.40 8.03 2z57A1 ALA 83 HA -0.01 0.30 0.63 -0.75 4.34 4.51 2z57A1 ALA 83 HB3 -0.01 -0.01 0.10 -0.04 1.41 1.44 2z57A1 GLN 84 H -0.01 0.29 -0.16 -0.55 8.47 8.05 2z57A1 GLN 84 HA -0.06 0.19 -0.22 -0.75 4.36 3.52 2z57A1 GLN 84 HB2 -0.01 -0.04 -0.48 -0.04 2.15 1.58 2z57A1 GLN 84 HB3 0.00 -0.07 -0.11 -0.04 2.02 1.81 2z57A1 GLN 84 HG2 0.02 -0.18 -0.51 -0.04 2.40 1.70 2z57A1 GLN 84 HG3 -0.01 0.13 -0.39 -0.04 2.39 2.08 2z57A1 GLN 84 HE21 -0.00 -0.11 -0.02 -0.04 6.97 6.79 2z57A1 GLN 84 HE22 0.06 -0.11 -0.18 -0.04 7.69 7.42 2z57A1 THR 85 H -0.05 0.60 0.24 -0.55 8.28 8.52 2z57A1 THR 85 HA 0.02 0.19 0.69 -0.75 4.39 4.54 2z57A1 THR 85 HB 0.02 -0.08 -0.45 -0.04 4.32 3.77 2z57A1 THR 85 HG23 0.03 -0.02 0.00 -0.04 1.22 1.18 2z57A1 ILE 86 H 0.06 0.15 0.03 -0.55 8.25 7.94 2z57A1 ILE 86 HA 0.09 0.24 0.85 -0.75 4.18 4.60 2z57A1 ILE 86 HB 0.08 -0.06 0.12 -0.04 1.89 1.99 2z57A1 ILE 86 HG12 0.20 0.11 -0.16 -0.04 1.49 1.60 2z57A1 ILE 86 HG13 0.10 -0.06 -0.16 -0.04 1.21 1.05 2z57A1 ILE 86 HG23 0.12 0.04 -0.08 -0.04 0.93 0.97 2z57A1 ILE 86 HD13 0.14 -0.00 -0.05 -0.04 0.88 0.92 2z57A1 PRO 87 HA 0.09 0.05 0.49 -0.51 4.44 4.56 2z57A1 PRO 87 HB2 -0.05 -0.15 0.09 -0.04 2.28 2.14 2z57A1 PRO 87 HB3 -0.01 -0.06 0.23 -0.04 2.02 2.13 2z57A1 PRO 87 HG2 -0.02 0.16 0.17 -0.04 2.03 2.29 2z57A1 PRO 87 HG3 0.01 0.03 0.06 -0.04 2.03 2.09 2z57A1 PRO 87 HD2 0.05 0.17 0.29 -0.04 3.68 4.15 2z57A1 PRO 87 HD3 0.03 0.40 0.31 -0.04 3.65 4.36 2z57A1 TRP 88 H 0.28 0.16 0.25 -0.55 7.97 8.12 2z57A1 TRP 88 HA 0.03 0.14 0.34 -0.75 4.62 4.37 2z57A1 TRP 88 HB2 0.02 0.05 0.15 -0.04 3.23 3.40 2z57A1 TRP 88 HB3 0.03 0.04 0.21 -0.04 3.23 3.47 2z57A1 TRP 88 HD1 0.04 0.03 0.20 -0.04 7.22 7.44 2z57A1 TRP 88 HE1 0.05 0.32 0.13 -0.04 10.20 10.65 2z57A1 TRP 88 HE3 -0.00 0.01 -0.21 -0.04 7.59 7.35 2z57A1 TRP 88 HZ2 0.02 0.00 0.05 -0.04 7.44 7.47 2z57A1 TRP 88 HZ3 -0.03 0.07 -0.10 -0.04 7.13 7.03 2z57A1 TRP 88 HH2 -0.02 0.05 -0.38 -0.04 7.19 6.79 2z57A1 GLY 89 H -0.80 0.08 -0.18 -0.55 8.43 6.99 2z57A1 GLY 89 HA2 -1.03 0.05 0.40 -0.51 4.01 2.92 2z57A1 GLY 89 HA3 -0.75 0.08 0.27 -0.51 4.01 3.11 2z57A1 ILE 90 H -0.04 0.20 -0.19 -0.55 8.25 7.66 2z57A1 ILE 90 HA 0.10 0.07 0.48 -0.75 4.18 4.07 2z57A1 ILE 90 HB 0.08 0.08 0.04 -0.04 1.89 2.04 2z57A1 ILE 90 HG12 0.00 -0.20 0.10 -0.04 1.49 1.35 2z57A1 ILE 90 HG13 0.06 0.31 0.14 -0.04 1.21 1.68 2z57A1 ILE 90 HG23 0.23 0.01 -0.15 -0.04 0.93 0.98 2z57A1 ILE 90 HD13 -0.04 -0.03 0.00 -0.04 0.88 0.78 2z57A1 GLU 91 H 0.04 0.32 -0.26 -0.55 8.60 8.15 2z57A1 GLU 91 HA -0.03 0.01 0.50 -0.75 4.29 4.02 2z57A1 GLU 91 HB2 0.12 0.16 0.17 -0.04 2.09 2.50 2z57A1 GLU 91 HB3 0.05 -0.03 0.02 -0.04 1.99 2.00 2z57A1 GLU 91 HG2 0.06 0.05 -0.05 -0.04 2.34 2.36 2z57A1 GLU 91 HG3 0.08 -0.00 -0.01 -0.04 2.34 2.37 2z57A1 ARG 92 H 0.06 0.43 -0.06 -0.55 8.46 8.34 2z57A1 ARG 92 HA 0.10 0.02 0.37 -0.75 4.34 4.08 2z57A1 ARG 92 HB2 0.39 0.01 0.12 -0.04 1.90 2.38 2z57A1 ARG 92 HB3 -0.03 0.07 0.19 -0.04 1.80 1.98 2z57A1 ARG 92 HG2 0.36 -0.10 -0.03 -0.04 1.67 1.86 2z57A1 ARG 92 HG3 0.09 0.07 -0.14 -0.04 1.67 1.64 2z57A1 ARG 92 HD2 0.11 0.03 0.11 -0.04 3.22 3.43 2z57A1 ARG 92 HD3 0.22 -0.03 0.01 -0.04 3.22 3.38 2z57A1 VAL 93 H -0.01 0.41 -0.17 -0.55 8.24 7.92 2z57A1 VAL 93 HA 0.00 0.39 0.81 -0.75 4.13 4.58 2z57A1 VAL 93 HB 0.03 -0.07 0.10 -0.04 2.12 2.15 2z57A1 VAL 93 HG13 -0.05 0.02 0.08 -0.04 0.97 0.97 2z57A1 VAL 93 HG23 0.09 0.02 0.03 -0.04 0.95 1.05 2z57A1 LYS 94 H -0.02 0.45 -0.62 -0.55 8.42 7.68 2z57A1 LYS 94 HA -0.08 0.11 0.37 -0.75 4.32 3.96 2z57A1 LYS 94 HB2 -0.04 -0.19 0.01 -0.04 1.87 1.61 2z57A1 LYS 94 HB3 -0.06 -0.05 0.16 -0.04 1.79 1.80 2z57A1 LYS 94 HG2 -0.01 0.16 -0.18 -0.04 1.46 1.40 2z57A1 LYS 94 HG3 -0.02 -0.03 -0.02 -0.04 1.46 1.34 2z57A1 LYS 94 HD2 -0.03 -0.09 0.05 -0.04 1.69 1.57 2z57A1 LYS 94 HD3 -0.03 0.24 0.11 -0.04 1.68 1.97 2z57A1 LYS 94 HE2 0.00 0.18 0.09 -0.04 2.99 3.22 2z57A1 LYS 94 HE3 -0.01 -0.05 0.03 -0.04 2.99 2.91 2z57A1 ALA 95 H -0.11 0.47 0.03 -0.55 8.40 8.24 2z57A1 ALA 95 HA -0.13 0.08 0.76 -0.75 4.34 4.29 2z57A1 ALA 95 HB3 0.09 0.08 0.12 -0.04 1.41 1.66 2z57A1 PRO 96 HA -3.13 0.14 0.26 -0.51 4.44 1.20 2z57A1 PRO 96 HB2 -0.41 -0.01 0.04 -0.04 2.28 1.86 2z57A1 PRO 96 HB3 -0.62 0.05 0.05 -0.04 2.02 1.46 2z57A1 PRO 96 HG2 -0.23 0.01 -0.02 -0.04 2.03 1.75 2z57A1 PRO 96 HG3 -0.60 0.10 -0.03 -0.04 2.03 1.47 2z57A1 PRO 96 HD2 -0.29 0.06 0.11 -0.04 3.68 3.52 2z57A1 PRO 96 HD3 -0.26 0.23 0.12 -0.04 3.65 3.70 2z57A1 SER 97 H -0.36 0.12 -0.38 -0.55 8.46 7.29 2z57A1 SER 97 HA -0.18 0.09 0.32 -0.75 4.49 3.96 2z57A1 SER 97 HB2 -0.09 0.02 0.08 -0.04 3.95 3.92 2z57A1 SER 97 HB3 -0.13 -0.03 0.04 -0.04 3.93 3.76 2z57A1 VAL 98 H -0.36 0.47 -0.28 -0.55 8.24 7.53 2z57A1 VAL 98 HA -0.03 0.04 0.54 -0.75 4.13 3.92 2z57A1 VAL 98 HB -0.05 0.24 0.15 -0.04 2.12 2.42 2z57A1 VAL 98 HG13 0.10 0.02 0.01 -0.04 0.97 1.05 2z57A1 VAL 98 HG23 -0.04 -0.02 -0.05 -0.04 0.95 0.80 2z57A1 TRP 99 H -0.21 0.38 -0.28 -0.55 7.97 7.31 2z57A1 TRP 99 HA 0.00 0.27 -0.08 -0.75 4.62 4.05 2z57A1 TRP 99 HB2 0.00 0.05 0.05 -0.04 3.23 3.29 2z57A1 TRP 99 HB3 0.00 -0.07 -0.02 -0.04 3.23 3.10 2z57A1 TRP 99 HD1 0.00 0.07 0.04 -0.04 7.22 7.29 2z57A1 TRP 99 HE1 -0.00 0.52 0.08 -0.04 10.20 10.76 2z57A1 TRP 99 HE3 0.00 -0.01 0.00 -0.04 7.59 7.54 2z57A1 TRP 99 HZ2 -0.01 0.15 -0.08 -0.04 7.44 7.45 2z57A1 TRP 99 HZ3 0.00 -0.04 -0.04 -0.04 7.13 7.00 2z57A1 TRP 99 HH2 -0.01 -0.05 -0.10 -0.04 7.19 6.99 2z57A1 SER 100 H 0.11 0.16 -0.37 -0.55 8.46 7.81 2z57A1 SER 100 HA 0.09 0.05 0.47 -0.75 4.49 4.34 2z57A1 SER 100 HB2 0.04 -0.02 0.03 -0.04 3.95 3.95 2z57A1 SER 100 HB3 0.06 -0.05 0.04 -0.04 3.93 3.94 2z57A1 ILE 101 H 0.07 0.43 -0.16 -0.55 8.25 8.05 2z57A1 ILE 101 HA 0.03 0.07 0.73 -0.75 4.18 4.25 2z57A1 ILE 101 HB 0.05 0.10 0.22 -0.04 1.89 2.23 2z57A1 ILE 101 HG12 0.01 -0.02 0.00 -0.04 1.49 1.45 2z57A1 ILE 101 HG13 0.02 -0.07 -0.01 -0.04 1.21 1.11 2z57A1 ILE 101 HG23 0.02 -0.02 -0.08 -0.04 0.93 0.81 2z57A1 ILE 101 HD13 0.01 -0.01 0.01 -0.04 0.88 0.85 2z57A1 THR 102 H 0.11 0.50 0.11 -0.55 8.28 8.45 2z57A1 THR 102 HA 0.06 0.13 0.33 -0.75 4.39 4.17 2z57A1 THR 102 HB 0.05 0.20 -0.12 -0.04 4.32 4.41 2z57A1 THR 102 HG23 0.08 -0.00 -0.11 -0.04 1.22 1.15 2z57A1 ASP 103 H 0.03 0.13 0.07 -0.55 8.40 8.09 2z57A1 ASP 103 HA 0.06 0.28 0.79 -0.75 4.63 5.01 2z57A1 ASP 103 HB2 -0.30 -0.05 0.09 -0.04 2.71 2.40 2z57A1 ASP 103 HB3 -0.15 0.13 0.03 -0.04 2.70 2.68 2z57A1 GLY 104 H 0.04 0.07 -0.17 -0.55 8.43 7.81 2z57A1 GLY 104 HA2 0.02 0.06 0.18 -0.51 4.01 3.76 2z57A1 GLY 104 HA3 -0.00 0.18 0.51 -0.51 4.01 4.19 2z57A1 SER 105 H -0.01 -0.05 -0.26 -0.55 8.46 7.59 2z57A1 SER 105 HA -0.03 0.33 0.34 -0.75 4.49 4.38 2z57A1 SER 105 HB2 -0.02 0.02 0.15 -0.04 3.95 4.07 2z57A1 SER 105 HB3 -0.04 0.07 0.03 -0.04 3.93 3.94 2z57A1 VAL 106 H -0.01 0.32 -0.59 -0.55 8.24 7.41 2z57A1 VAL 106 HA 0.01 0.11 0.74 -0.75 4.13 4.24 2z57A1 VAL 106 HB 0.00 0.00 0.11 -0.04 2.12 2.19 2z57A1 VAL 106 HG13 0.06 -0.02 -0.07 -0.04 0.97 0.90 2z57A1 VAL 106 HG23 0.06 0.04 -0.07 -0.04 0.95 0.93 2z57A1 SER 107 H -0.02 0.15 0.12 -0.55 8.46 8.17 2z57A1 SER 107 HA -0.04 0.12 -0.01 -0.75 4.49 3.80 2z57A1 SER 107 HB2 -0.03 0.03 0.06 -0.04 3.95 3.97 2z57A1 SER 107 HB3 -0.01 0.01 0.11 -0.04 3.93 3.99 2z57A1 VAL 108 H -0.21 0.00 -0.31 -0.55 8.24 7.18 2z57A1 VAL 108 HA -0.14 0.18 0.47 -0.75 4.13 3.89 2z57A1 VAL 108 HB -0.38 -0.05 -0.03 -0.04 2.12 1.62 2z57A1 VAL 108 HG13 -0.96 -0.01 -0.21 -0.04 0.97 -0.25 2z57A1 VAL 108 HG23 -0.20 0.04 -0.26 -0.04 0.95 0.49 2z57A1 ILE 109 H -0.13 0.56 -0.22 -0.55 8.25 7.91 2z57A1 ILE 109 HA -0.12 0.04 0.59 -0.75 4.18 3.93 2z57A1 ILE 109 HB -0.07 0.18 0.20 -0.04 1.89 2.16 2z57A1 ILE 109 HG12 -0.14 -0.08 -0.09 -0.04 1.49 1.14 2z57A1 ILE 109 HG13 -0.02 -0.08 -0.07 -0.04 1.21 1.00 2z57A1 ILE 109 HG23 -0.05 -0.02 -0.10 -0.04 0.93 0.71 2z57A1 ILE 109 HD13 -0.07 0.03 -0.21 -0.04 0.88 0.58 2z57A1 GLN 110 H -0.15 0.15 0.29 -0.55 8.47 8.21 2z57A1 GLN 110 HA -0.20 0.32 0.71 -0.75 4.36 4.44 2z57A1 GLN 110 HB2 -0.55 -0.04 -0.03 -0.04 2.15 1.49 2z57A1 GLN 110 HB3 -0.93 -0.09 -0.16 -0.04 2.02 0.80 2z57A1 GLN 110 HG2 -0.61 -0.06 -0.20 -0.04 2.40 1.50 2z57A1 GLN 110 HG3 -0.23 0.08 -0.17 -0.04 2.39 2.02 2z57A1 GLN 110 HE21 -0.07 0.08 -0.18 -0.04 6.97 6.75 2z57A1 GLN 110 HE22 -0.07 -0.02 -0.21 -0.04 7.69 7.35 2z57A1 VAL 111 H -0.14 0.78 0.31 -0.55 8.24 8.64 2z57A1 VAL 111 HA -0.05 0.10 1.01 -0.75 4.13 4.43 2z57A1 VAL 111 HB -0.03 0.05 0.09 -0.04 2.12 2.19 2z57A1 VAL 111 HG13 0.00 -0.04 -0.25 -0.04 0.97 0.64 2z57A1 VAL 111 HG23 -0.03 0.01 -0.12 -0.04 0.95 0.77 2z57A1 ALA 112 H 0.02 0.80 0.34 -0.55 8.40 9.01 2z57A1 ALA 112 HA 0.15 0.23 1.01 -0.75 4.34 4.97 2z57A1 ALA 112 HB3 0.18 -0.00 0.12 -0.04 1.41 1.66 2z57A1 VAL 113 H 0.07 0.76 0.32 -0.55 8.24 8.85 2z57A1 VAL 113 HA 0.04 0.19 0.93 -0.75 4.13 4.54 2z57A1 VAL 113 HB 0.03 -0.03 0.16 -0.04 2.12 2.24 2z57A1 VAL 113 HG13 0.02 -0.04 -0.16 -0.04 0.97 0.76 2z57A1 VAL 113 HG23 0.01 0.03 -0.19 -0.04 0.95 0.77 2z57A1 LEU 114 H 0.04 0.62 0.25 -0.55 8.37 8.74 2z57A1 LEU 114 HA 0.01 0.34 0.87 -0.75 4.35 4.82 2z57A1 LEU 114 HB2 0.04 0.07 0.16 -0.04 1.64 1.86 2z57A1 LEU 114 HB3 0.02 -0.09 0.01 -0.04 1.64 1.54 2z57A1 LEU 114 HG 0.02 -0.00 -0.12 -0.04 1.64 1.49 2z57A1 LEU 114 HD13 0.06 0.02 -0.34 -0.04 0.93 0.63 2z57A1 LEU 114 HD23 0.04 -0.00 -0.23 -0.04 0.89 0.65 2z57A1 ASP 115 H 0.02 0.53 0.31 -0.55 8.40 8.71 2z57A1 ASP 115 HA 0.07 0.16 0.65 -0.75 4.63 4.75 2z57A1 ASP 115 HB2 0.07 0.11 -0.56 -0.04 2.71 2.28 2z57A1 ASP 115 HB3 0.07 -0.09 0.07 -0.04 2.70 2.70 2z57A1 THR 116 H 0.09 0.06 0.16 -0.55 8.28 8.05 2z57A1 THR 116 HA 0.01 0.31 0.50 -0.75 4.39 4.45 2z57A1 THR 116 HB 0.01 0.09 0.16 -0.04 4.32 4.54 2z57A1 THR 116 HG23 0.01 0.03 -0.02 -0.04 1.22 1.19 2z57A1 GLY 117 H 0.01 0.01 -0.42 -0.55 8.43 7.50 2z57A1 GLY 117 HA2 -0.01 0.15 0.15 -0.51 4.01 3.79 2z57A1 GLY 117 HA3 -0.00 0.34 0.57 -0.51 4.01 4.40 2z57A1 VAL 118 H 0.03 0.57 0.21 -0.55 8.24 8.50 2z57A1 VAL 118 HA -0.01 0.02 0.66 -0.75 4.13 4.05 2z57A1 VAL 118 HB 0.02 0.05 -0.30 -0.04 2.12 1.85 2z57A1 VAL 118 HG13 0.09 0.02 -0.14 -0.04 0.97 0.90 2z57A1 VAL 118 HG23 0.01 0.03 -0.22 -0.04 0.95 0.72 2z57A1 ASP 119 H -0.04 0.16 0.03 -0.55 8.40 8.00 2z57A1 ASP 119 HA -0.15 0.12 0.68 -0.75 4.63 4.53 2z57A1 ASP 119 HB2 -0.08 0.03 0.11 -0.04 2.71 2.74 2z57A1 ASP 119 HB3 -0.01 0.05 0.15 -0.04 2.70 2.85 2z57A1 TYR 120 H -0.25 0.30 0.03 -0.55 8.29 7.81 2z57A1 TYR 120 HA 0.01 0.09 -0.05 -0.75 4.56 3.85 2z57A1 TYR 120 HB2 0.01 0.12 0.03 -0.04 3.06 3.18 2z57A1 TYR 120 HB3 -0.01 0.02 -0.01 -0.04 2.98 2.94 2z57A1 TYR 120 HD2 -0.01 0.09 -0.15 -0.04 7.15 7.04 2z57A1 TYR 120 HE2 -0.01 0.06 -0.07 -0.04 6.85 6.79 2z57A1 ASP 121 H -0.43 -0.03 -0.38 -0.55 8.40 7.01 2z57A1 ASP 121 HA 0.05 0.30 0.83 -0.75 4.63 5.06 2z57A1 ASP 121 HB2 -0.03 0.07 0.11 -0.04 2.71 2.82 2z57A1 ASP 121 HB3 -0.16 -0.02 -0.02 -0.04 2.70 2.46 2z57A1 HIS 122 H 0.04 0.46 -0.24 -0.55 8.41 8.13 2z57A1 HIS 122 HA -0.08 0.08 0.42 -0.75 4.63 4.30 2z57A1 HIS 122 HB2 -0.10 0.00 0.15 -0.04 3.26 3.27 2z57A1 HIS 122 HB3 -0.06 -0.03 0.08 -0.04 3.20 3.15 2z57A1 HIS 122 HD2 -0.16 -0.15 -0.03 -0.04 6.97 6.58 2z57A1 HIS 122 HE1 -0.27 0.10 -0.10 -0.04 7.75 7.44 2z57A1 PRO 123 HA 0.04 0.11 0.38 -0.51 4.44 4.46 2z57A1 PRO 123 HB2 0.05 0.04 0.04 -0.04 2.28 2.37 2z57A1 PRO 123 HB3 0.02 0.05 0.12 -0.04 2.02 2.17 2z57A1 PRO 123 HG2 -0.09 0.11 0.13 -0.04 2.03 2.15 2z57A1 PRO 123 HG3 -0.06 0.08 0.15 -0.04 2.03 2.16 2z57A1 PRO 123 HD2 -0.56 0.09 0.24 -0.04 3.68 3.40 2z57A1 PRO 123 HD3 -0.26 0.10 0.31 -0.04 3.65 3.75 2z57A1 ASP 124 H 0.72 0.04 -0.33 -0.55 8.40 8.28 2z57A1 ASP 124 HA 0.09 0.27 0.77 -0.75 4.63 5.00 2z57A1 ASP 124 HB2 0.34 -0.02 -0.03 -0.04 2.71 2.95 2z57A1 ASP 124 HB3 0.05 -0.06 -0.01 -0.04 2.70 2.63 2z57A1 LEU 125 H 0.10 0.38 -0.33 -0.55 8.37 7.98 2z57A1 LEU 125 HA -0.03 0.30 0.88 -0.75 4.35 4.74 2z57A1 LEU 125 HB2 0.00 0.00 -0.03 -0.04 1.64 1.57 2z57A1 LEU 125 HB3 -0.03 0.01 -0.14 -0.04 1.64 1.45 2z57A1 LEU 125 HG -0.39 -0.12 -0.28 -0.04 1.64 0.80 2z57A1 LEU 125 HD13 -0.14 0.01 -0.09 -0.04 0.93 0.67 2z57A1 LEU 125 HD23 -0.13 0.06 -0.21 -0.04 0.89 0.57 2z57A1 ALA 126 H 0.06 0.54 0.05 -0.55 8.40 8.51 2z57A1 ALA 126 HA 0.07 0.10 0.17 -0.75 4.34 3.93 2z57A1 ALA 126 HB3 0.06 -0.03 -0.01 -0.04 1.41 1.39 2z57A1 ALA 127 H 0.02 0.09 -0.21 -0.55 8.40 7.76 2z57A1 ALA 127 HA 0.03 0.05 0.33 -0.75 4.34 4.00 2z57A1 ALA 127 HB3 0.00 0.01 0.02 -0.04 1.41 1.40 2z57A1 ASN 128 H 0.01 0.46 -0.30 -0.55 8.53 8.16 2z57A1 ASN 128 HA 0.01 0.17 0.65 -0.75 4.76 4.84 2z57A1 ASN 128 HB2 -0.02 0.03 0.02 -0.04 2.88 2.88 2z57A1 ASN 128 HB3 -0.01 0.11 0.11 -0.04 2.79 2.95 2z57A1 ASN 128 HD21 -0.08 0.39 -0.07 -0.04 7.03 7.23 2z57A1 ASN 128 HD22 -0.06 0.34 0.02 -0.04 7.74 8.01 2z57A1 ILE 129 H 0.05 0.44 -0.25 -0.55 8.25 7.94 2z57A1 ILE 129 HA 0.08 0.05 0.75 -0.75 4.18 4.31 2z57A1 ILE 129 HB 0.09 0.13 0.17 -0.04 1.89 2.23 2z57A1 ILE 129 HG12 0.06 0.16 -0.22 -0.04 1.49 1.44 2z57A1 ILE 129 HG13 0.10 -0.15 -0.11 -0.04 1.21 1.00 2z57A1 ILE 129 HG23 0.09 -0.06 -0.15 -0.04 0.93 0.76 2z57A1 ILE 129 HD13 0.04 -0.02 -0.22 -0.04 0.88 0.63 2z57A1 ALA 130 H 0.18 0.60 0.37 -0.55 8.40 9.00 2z57A1 ALA 130 HA 0.13 0.13 0.51 -0.75 4.34 4.36 2z57A1 ALA 130 HB3 0.22 0.01 -0.01 -0.04 1.41 1.58 2z57A1 TRP 131 H 0.30 0.31 0.15 -0.55 7.97 8.18 2z57A1 TRP 131 HA -0.07 0.10 0.57 -0.75 4.62 4.47 2z57A1 TRP 131 HB2 -0.30 0.16 -0.25 -0.04 3.23 2.80 2z57A1 TRP 131 HB3 -0.40 -0.10 -0.02 -0.04 3.23 2.67 2z57A1 TRP 131 HD1 -0.12 0.02 0.08 -0.04 7.22 7.16 2z57A1 TRP 131 HE1 -0.11 -0.01 -0.04 -0.04 10.20 9.99 2z57A1 TRP 131 HE3 -1.15 -0.01 -0.16 -0.04 7.59 6.23 2z57A1 TRP 131 HZ2 -0.10 0.01 -0.18 -0.04 7.44 7.12 2z57A1 TRP 131 HZ3 -0.17 0.12 -0.31 -0.04 7.13 6.73 2z57A1 TRP 131 HH2 -0.09 0.02 -0.24 -0.04 7.19 6.84 2z57A1 CYS 132 H -0.14 0.29 0.05 -0.55 8.50 8.14 2z57A1 CYS 132 HA -0.21 0.19 0.90 -0.75 4.58 4.71 2z57A1 CYS 132 HB2 -0.06 0.02 -0.18 -0.04 2.97 2.70 2z57A1 CYS 132 HB3 -0.17 0.01 0.10 -0.04 2.97 2.86 2z57A1 VAL 133 H -0.50 0.76 0.33 -0.55 8.24 8.28 2z57A1 VAL 133 HA -0.43 0.26 1.08 -0.75 4.13 4.29 2z57A1 VAL 133 HB -0.47 -0.07 -0.24 -0.04 2.12 1.30 2z57A1 VAL 133 HG13 -0.54 0.01 -0.12 -0.04 0.97 0.28 2z57A1 VAL 133 HG23 -1.32 -0.01 -0.17 -0.04 0.95 -0.59 2z57A1 SER 134 H -0.18 0.72 0.39 -0.55 8.46 8.83 2z57A1 SER 134 HA -0.11 0.08 0.92 -0.75 4.49 4.63 2z57A1 SER 134 HB2 -0.08 0.07 -0.31 -0.04 3.95 3.59 2z57A1 SER 134 HB3 -0.07 -0.05 0.06 -0.04 3.93 3.83 2z57A1 THR 135 H -0.05 0.65 0.21 -0.55 8.28 8.54 2z57A1 THR 135 HA -0.03 0.29 0.68 -0.75 4.39 4.57 2z57A1 THR 135 HB 0.00 -0.09 0.02 -0.04 4.32 4.21 2z57A1 THR 135 HG23 -0.04 0.00 -0.42 -0.04 1.22 0.72 2z57A1 LEU 136 H -0.03 0.14 0.00 -0.55 8.37 7.94 2z57A1 LEU 136 HA 0.00 -0.07 0.31 -0.75 4.35 3.84 2z57A1 LEU 136 HB2 -0.01 0.07 0.06 -0.04 1.64 1.72 2z57A1 LEU 136 HB3 -0.00 -0.03 -0.02 -0.04 1.64 1.54 2z57A1 LEU 136 HG -0.02 0.10 -0.02 -0.04 1.64 1.66 2z57A1 LEU 136 HD13 -0.01 0.02 -0.05 -0.04 0.93 0.85 2z57A1 LEU 136 HD23 -0.00 -0.01 -0.41 -0.04 0.89 0.43 2z57A1 ARG 137 H 0.01 0.05 0.19 -0.55 8.46 8.15 2z57A1 ARG 137 HA 0.01 -0.04 0.34 -0.75 4.34 3.89 2z57A1 ARG 137 HB2 -0.00 0.22 -0.06 -0.04 1.90 2.02 2z57A1 ARG 137 HB3 0.00 0.03 0.19 -0.04 1.80 1.98 2z57A1 ARG 137 HG2 0.00 -0.04 -0.16 -0.04 1.67 1.43 2z57A1 ARG 137 HG3 0.00 0.05 -0.02 -0.04 1.67 1.66 2z57A1 ARG 137 HD2 0.01 -0.09 0.10 -0.04 3.22 3.19 2z57A1 ARG 137 HD3 0.00 -0.01 0.01 -0.04 3.22 3.19 2z57A1 GLY 138 H 0.01 0.31 -0.30 -0.55 8.43 7.90 2z57A1 GLY 138 HA2 0.01 -0.02 0.20 -0.51 4.01 3.70 2z57A1 GLY 138 HA3 0.01 0.03 0.29 -0.51 4.01 3.83 2z57A1 LYS 139 H -0.00 0.34 -0.52 -0.55 8.42 7.68 2z57A1 LYS 139 HA 0.00 0.15 0.85 -0.75 4.32 4.57 2z57A1 LYS 139 HB2 -0.00 0.02 -0.09 -0.04 1.87 1.76 2z57A1 LYS 139 HB3 -0.00 0.03 -0.11 -0.04 1.79 1.67 2z57A1 LYS 139 HG2 -0.00 -0.01 -0.10 -0.04 1.46 1.31 2z57A1 LYS 139 HG3 -0.01 0.16 -0.03 -0.04 1.46 1.54 2z57A1 LYS 139 HD2 -0.01 -0.02 -0.32 -0.04 1.69 1.30 2z57A1 LYS 139 HD3 -0.01 0.00 -0.14 -0.04 1.68 1.50 2z57A1 LYS 139 HE2 -0.01 -0.01 -0.07 -0.04 2.99 2.87 2z57A1 LYS 139 HE3 -0.01 0.02 -0.07 -0.04 2.99 2.89 2z57A1 VAL 140 H 0.00 0.16 0.06 -0.55 8.24 7.91 2z57A1 VAL 140 HA -0.03 0.29 0.66 -0.75 4.13 4.30 2z57A1 VAL 140 HB 0.02 -0.01 0.13 -0.04 2.12 2.21 2z57A1 VAL 140 HG13 0.02 -0.00 -0.17 -0.04 0.97 0.77 2z57A1 VAL 140 HG23 0.02 -0.00 -0.06 -0.04 0.95 0.86 2z57A1 SER 141 H -0.06 0.67 0.42 -0.55 8.46 8.95 2z57A1 SER 141 HA -0.02 0.17 0.91 -0.75 4.49 4.80 2z57A1 SER 141 HB2 -0.02 0.09 -0.06 -0.04 3.95 3.91 2z57A1 SER 141 HB3 -0.05 0.01 0.09 -0.04 3.93 3.95 2z57A1 THR 142 H -0.01 0.18 0.13 -0.55 8.28 8.03 2z57A1 THR 142 HA -0.15 0.31 1.11 -0.75 4.39 4.92 2z57A1 THR 142 HB 0.09 0.02 0.02 -0.04 4.32 4.41 2z57A1 THR 142 HG23 0.05 -0.01 -0.02 -0.04 1.22 1.20 2z57A1 LYS 143 H -0.04 0.01 -0.09 -0.55 8.42 7.74 2z57A1 LYS 143 HA -0.05 0.14 0.55 -0.75 4.32 4.21 2z57A1 LYS 143 HB2 -0.03 -0.04 0.09 -0.04 1.87 1.84 2z57A1 LYS 143 HB3 -0.03 -0.10 0.03 -0.04 1.79 1.65 2z57A1 LYS 143 HG2 -0.02 0.07 0.06 -0.04 1.46 1.53 2z57A1 LYS 143 HG3 -0.02 -0.01 0.07 -0.04 1.46 1.46 2z57A1 LYS 143 HD2 -0.01 0.07 0.01 -0.04 1.69 1.72 2z57A1 LYS 143 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.62 2z57A1 LYS 143 HE2 -0.01 -0.13 -0.00 -0.04 2.99 2.80 2z57A1 LYS 143 HE3 -0.01 0.04 0.02 -0.04 2.99 3.00 2z57A1 LEU 144 H -0.11 0.21 0.20 -0.55 8.37 8.13 2z57A1 LEU 144 HA -0.24 0.14 0.41 -0.75 4.35 3.90 2z57A1 LEU 144 HB2 -0.14 -0.04 0.12 -0.04 1.64 1.54 2z57A1 LEU 144 HB3 -0.61 0.00 0.02 -0.04 1.64 1.01 2z57A1 LEU 144 HG -0.22 0.04 0.14 -0.04 1.64 1.55 2z57A1 LEU 144 HD13 -0.24 0.01 0.02 -0.04 0.93 0.69 2z57A1 LEU 144 HD23 -0.72 0.02 0.00 -0.04 0.89 0.15 2z57A1 ARG 145 H -0.02 0.08 -0.15 -0.55 8.46 7.82 2z57A1 ARG 145 HA 0.06 0.08 0.36 -0.75 4.34 4.08 2z57A1 ARG 145 HB2 0.02 0.03 0.07 -0.04 1.90 1.97 2z57A1 ARG 145 HB3 -0.00 -0.07 0.03 -0.04 1.80 1.72 2z57A1 ARG 145 HG2 0.00 0.04 -0.34 -0.04 1.67 1.33 2z57A1 ARG 145 HG3 0.01 0.02 -0.02 -0.04 1.67 1.64 2z57A1 ARG 145 HD2 0.01 0.02 -0.02 -0.04 3.22 3.18 2z57A1 ARG 145 HD3 -0.00 -0.03 -0.04 -0.04 3.22 3.11 2z57A1 ASP 146 H -0.02 0.13 -0.49 -0.55 8.40 7.47 2z57A1 ASP 146 HA -0.01 0.12 0.53 -0.75 4.63 4.52 2z57A1 ASP 146 HB2 -0.04 0.06 -0.01 -0.04 2.71 2.67 2z57A1 ASP 146 HB3 -0.03 -0.00 -0.02 -0.04 2.70 2.60 2z57A1 CYS 147 H -0.05 0.41 -0.14 -0.55 8.50 8.18 2z57A1 CYS 147 HA -0.06 0.08 0.43 -0.75 4.58 4.27 2z57A1 CYS 147 HB2 -0.12 -0.02 -0.14 -0.04 2.97 2.65 2z57A1 CYS 147 HB3 -0.14 0.07 -0.38 -0.04 2.97 2.48 2z57A1 ALA 148 H 0.05 0.29 -0.37 -0.55 8.40 7.83 2z57A1 ALA 148 HA 0.14 0.12 0.60 -0.75 4.34 4.44 2z57A1 ALA 148 HB3 0.11 0.02 0.01 -0.04 1.41 1.51 2z57A1 ASP 149 H 0.00 0.20 -0.15 -0.55 8.40 7.90 2z57A1 ASP 149 HA -0.02 0.39 0.44 -0.75 4.63 4.69 2z57A1 ASP 149 HB2 -0.03 -0.04 -0.71 -0.04 2.71 1.90 2z57A1 ASP 149 HB3 -0.07 0.02 -0.16 -0.04 2.70 2.45 2z57A1 GLN 150 H -0.02 0.31 0.21 -0.55 8.47 8.42 2z57A1 GLN 150 HA -0.04 0.22 0.79 -0.75 4.36 4.58 2z57A1 GLN 150 HB2 -0.02 -0.08 0.10 -0.04 2.15 2.12 2z57A1 GLN 150 HB3 -0.02 -0.00 0.18 -0.04 2.02 2.14 2z57A1 GLN 150 HG2 -0.01 0.03 -0.15 -0.04 2.40 2.22 2z57A1 GLN 150 HG3 -0.01 0.23 -0.09 -0.04 2.39 2.48 2z57A1 GLN 150 HE21 -0.00 -0.03 0.01 -0.04 6.97 6.90 2z57A1 GLN 150 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.64 2z57A1 ASN 151 H -0.04 -0.16 -0.08 -0.55 8.53 7.70 2z57A1 ASN 151 HA -0.02 0.38 1.02 -0.75 4.76 5.39 2z57A1 ASN 151 HB2 -0.01 0.26 0.04 -0.04 2.88 3.13 2z57A1 ASN 151 HB3 0.01 -0.25 0.14 -0.04 2.79 2.65 2z57A1 ASN 151 HD21 0.01 0.00 -0.10 -0.04 7.03 6.90 2z57A1 ASN 151 HD22 -0.00 0.36 0.01 -0.04 7.74 8.06 2z57A1 GLY 152 H -0.08 -0.07 0.01 -0.55 8.43 7.74 2z57A1 GLY 152 HA2 -0.46 0.00 0.28 -0.51 4.01 3.33 2z57A1 GLY 152 HA3 -0.75 0.38 0.78 -0.51 4.01 3.91 2z57A1 HIS 153 H 0.13 0.15 -0.14 -0.55 8.41 8.01 2z57A1 HIS 153 HA 0.12 0.17 0.29 -0.75 4.63 4.46 2z57A1 HIS 153 HB2 0.04 0.11 0.07 -0.04 3.26 3.44 2z57A1 HIS 153 HB3 0.02 -0.16 0.13 -0.04 3.20 3.15 2z57A1 HIS 153 HD2 -0.00 0.04 -0.01 -0.04 6.97 6.96 2z57A1 HIS 153 HE1 0.03 0.28 0.12 -0.04 7.75 8.13 2z57A1 GLY 154 H 0.13 -0.01 -0.03 -0.55 8.43 7.97 2z57A1 GLY 154 HA2 0.05 0.09 0.45 -0.51 4.01 4.09 2z57A1 GLY 154 HA3 0.04 0.15 0.31 -0.51 4.01 4.01 2z57A1 THR 155 H -0.02 -0.05 -0.34 -0.55 8.28 7.33 2z57A1 THR 155 HA -0.04 0.06 0.42 -0.75 4.39 4.07 2z57A1 THR 155 HB -0.10 0.19 0.02 -0.04 4.32 4.39 2z57A1 THR 155 HG23 -0.09 0.04 -0.40 -0.04 1.22 0.72 2z57A1 HIS 156 H 0.13 0.36 -0.25 -0.55 8.41 8.12 2z57A1 HIS 156 HA 0.02 0.23 0.42 -0.75 4.63 4.55 2z57A1 HIS 156 HB2 0.27 0.06 0.08 -0.04 3.26 3.63 2z57A1 HIS 156 HB3 -0.02 0.01 0.12 -0.04 3.20 3.27 2z57A1 HIS 156 HD2 0.04 0.02 -0.16 -0.04 6.97 6.82 2z57A1 HIS 156 HE1 0.00 -0.03 -0.15 -0.04 7.75 7.53 2z57A1 VAL 157 H -0.00 0.51 -0.03 -0.55 8.24 8.17 2z57A1 VAL 157 HA -0.03 0.06 0.35 -0.75 4.13 3.76 2z57A1 VAL 157 HB -0.04 -0.01 0.16 -0.04 2.12 2.19 2z57A1 VAL 157 HG13 -0.01 -0.01 -0.10 -0.04 0.97 0.82 2z57A1 VAL 157 HG23 -0.19 0.05 -0.01 -0.04 0.95 0.76 2z57A1 ILE 158 H -0.03 0.56 -0.18 -0.55 8.25 8.04 2z57A1 ILE 158 HA -0.04 0.04 0.35 -0.75 4.18 3.78 2z57A1 ILE 158 HB -0.04 0.01 0.07 -0.04 1.89 1.90 2z57A1 ILE 158 HG12 -0.00 0.03 -0.05 -0.04 1.49 1.43 2z57A1 ILE 158 HG13 -0.01 -0.05 -0.00 -0.04 1.21 1.12 2z57A1 ILE 158 HG23 -0.03 0.01 -0.21 -0.04 0.93 0.65 2z57A1 ILE 158 HD13 0.01 -0.02 -0.16 -0.04 0.88 0.67 2z57A1 GLY 159 H -0.11 0.48 -0.26 -0.55 8.43 8.00 2z57A1 GLY 159 HA2 -0.12 0.04 0.32 -0.51 4.01 3.73 2z57A1 GLY 159 HA3 -0.16 -0.08 0.33 -0.51 4.01 3.59 2z57A1 THR 160 H -0.16 0.41 -0.27 -0.55 8.28 7.70 2z57A1 THR 160 HA -0.20 0.08 0.47 -0.75 4.39 3.98 2z57A1 THR 160 HB -0.19 0.10 0.08 -0.04 4.32 4.27 2z57A1 THR 160 HG23 -0.69 0.01 -0.16 -0.04 1.22 0.34 2z57A1 ILE 161 H -0.10 0.37 -0.20 -0.55 8.25 7.76 2z57A1 ILE 161 HA -0.07 0.03 0.61 -0.75 4.18 4.00 2z57A1 ILE 161 HB -0.05 0.13 0.09 -0.04 1.89 2.02 2z57A1 ILE 161 HG12 -0.04 0.07 0.04 -0.04 1.49 1.51 2z57A1 ILE 161 HG13 -0.06 0.17 0.06 -0.04 1.21 1.35 2z57A1 ILE 161 HG23 -0.02 -0.00 -0.13 -0.04 0.93 0.73 2z57A1 ILE 161 HD13 -0.01 -0.04 -0.12 -0.04 0.88 0.67 2z57A1 ALA 162 H -0.08 0.32 -0.08 -0.55 8.40 8.01 2z57A1 ALA 162 HA -0.08 0.25 0.57 -0.75 4.34 4.33 2z57A1 ALA 162 HB3 -0.05 0.01 -0.12 -0.04 1.41 1.21 2z57A1 ALA 163 H -0.09 0.37 0.07 -0.55 8.40 8.20 2z57A1 ALA 163 HA -0.08 0.17 0.60 -0.75 4.34 4.28 2z57A1 ALA 163 HB3 -0.06 -0.07 -0.05 -0.04 1.41 1.19 2z57A1 LEU 164 H -0.05 0.45 0.33 -0.55 8.37 8.55 2z57A1 LEU 164 HA -0.13 0.27 0.38 -0.75 4.35 4.12 2z57A1 LEU 164 HB2 -0.02 -0.10 0.08 -0.04 1.64 1.56 2z57A1 LEU 164 HB3 -0.06 -0.01 -0.08 -0.04 1.64 1.45 2z57A1 LEU 164 HG -0.04 0.11 -0.03 -0.04 1.64 1.64 2z57A1 LEU 164 HD13 0.00 -0.08 -0.15 -0.04 0.93 0.66 2z57A1 LEU 164 HD23 -0.05 0.06 -0.03 -0.04 0.89 0.83 2z57A1 ASN 165 H -0.20 0.19 0.14 -0.55 8.53 8.10 2z57A1 ASN 165 HA -0.16 0.16 0.74 -0.75 4.76 4.74 2z57A1 ASN 165 HB2 -0.58 0.03 0.11 -0.04 2.88 2.40 2z57A1 ASN 165 HB3 -0.27 -0.03 0.19 -0.04 2.79 2.64 2z57A1 ASN 165 HD21 0.10 -0.03 -0.05 -0.04 7.03 7.01 2z57A1 ASN 165 HD22 -0.33 -0.00 -0.01 -0.04 7.74 7.36 2z57A1 ASN 166 H -0.04 0.36 0.10 -0.55 8.53 8.40 2z57A1 ASN 166 HA -0.02 0.13 0.59 -0.75 4.76 4.70 2z57A1 ASN 166 HB2 -0.01 -0.20 0.18 -0.04 2.88 2.81 2z57A1 ASN 166 HB3 -0.03 0.11 -0.17 -0.04 2.79 2.67 2z57A1 ASN 166 HD21 0.03 0.01 -0.05 -0.04 7.03 6.98 2z57A1 ASN 166 HD22 0.00 0.00 -0.07 -0.04 7.74 7.64 2z57A1 ASP 167 H 0.00 0.13 0.12 -0.55 8.40 8.11 2z57A1 ASP 167 HA 0.00 0.20 0.68 -0.75 4.63 4.76 2z57A1 ASP 167 HB2 0.01 0.01 0.07 -0.04 2.71 2.75 2z57A1 ASP 167 HB3 0.01 0.00 0.15 -0.04 2.70 2.82 2z57A1 ILE 168 H 0.01 0.13 -0.18 -0.55 8.25 7.66 2z57A1 ILE 168 HA -0.01 0.33 1.06 -0.75 4.18 4.81 2z57A1 ILE 168 HB 0.07 0.05 -0.05 -0.04 1.89 1.91 2z57A1 ILE 168 HG12 0.04 -0.11 -0.05 -0.04 1.49 1.33 2z57A1 ILE 168 HG13 0.08 0.03 -0.17 -0.04 1.21 1.11 2z57A1 ILE 168 HG23 0.03 -0.00 -0.24 -0.04 0.93 0.67 2z57A1 ILE 168 HD13 0.10 0.01 -0.20 -0.04 0.88 0.75 2z57A1 GLY 169 H -0.11 0.52 -0.19 -0.55 8.43 8.10 2z57A1 GLY 169 HA2 -0.72 -0.02 0.17 -0.51 4.01 2.93 2z57A1 GLY 169 HA3 0.04 -0.07 -0.02 -0.51 4.01 3.46 2z57A1 VAL 170 H 0.08 0.03 0.11 -0.55 8.24 7.90 2z57A1 VAL 170 HA -0.03 0.39 0.90 -0.75 4.13 4.63 2z57A1 VAL 170 HB -0.01 -0.01 0.22 -0.04 2.12 2.28 2z57A1 VAL 170 HG13 -0.05 -0.02 -0.29 -0.04 0.97 0.56 2z57A1 VAL 170 HG23 0.07 -0.04 -0.08 -0.04 0.95 0.85 2z57A1 VAL 171 H 0.00 0.23 0.19 -0.55 8.24 8.11 2z57A1 VAL 171 HA -0.08 0.23 0.27 -0.75 4.13 3.80 2z57A1 VAL 171 HB -0.04 0.12 -0.18 -0.04 2.12 1.97 2z57A1 VAL 171 HG13 0.21 -0.02 -0.08 -0.04 0.97 1.04 2z57A1 VAL 171 HG23 -0.41 0.04 -0.12 -0.04 0.95 0.43 2z57A1 GLY 172 H -0.12 0.75 0.09 -0.55 8.43 8.59 2z57A1 GLY 172 HA2 -0.05 0.15 0.50 -0.51 4.01 4.09 2z57A1 GLY 172 HA3 -0.07 -0.06 -0.29 -0.51 4.01 3.08 2z57A1 VAL 173 H -0.01 0.52 0.25 -0.55 8.24 8.44 2z57A1 VAL 173 HA 0.28 -0.03 0.50 -0.75 4.13 4.13 2z57A1 VAL 173 HB 0.03 -0.00 0.23 -0.04 2.12 2.34 2z57A1 VAL 173 HG13 0.11 0.01 -0.20 -0.04 0.97 0.85 2z57A1 VAL 173 HG23 0.01 0.03 0.13 -0.04 0.95 1.08 2z57A1 ALA 174 H 0.01 0.69 -0.10 -0.55 8.40 8.46 2z57A1 ALA 174 HA 0.08 0.14 0.72 -0.75 4.34 4.52 2z57A1 ALA 174 HB3 0.02 0.00 0.07 -0.04 1.41 1.46 2z57A1 PRO 175 HA -0.18 0.07 0.11 -0.51 4.44 3.93 2z57A1 PRO 175 HB2 -0.40 -0.22 0.11 -0.04 2.28 1.73 2z57A1 PRO 175 HB3 -0.43 0.10 0.08 -0.04 2.02 1.73 2z57A1 PRO 175 HG2 -0.86 -0.06 0.03 -0.04 2.03 1.10 2z57A1 PRO 175 HG3 -1.78 0.03 0.00 -0.04 2.03 0.25 2z57A1 PRO 175 HD2 -0.57 0.03 0.15 -0.04 3.68 3.25 2z57A1 PRO 175 HD3 -0.38 0.35 -0.42 -0.04 3.65 3.16 2z57A1 GLY 176 H -0.15 0.57 -0.36 -0.55 8.43 7.94 2z57A1 GLY 176 HA2 -0.09 0.18 0.77 -0.51 4.01 4.36 2z57A1 GLY 176 HA3 -0.09 -0.17 0.14 -0.51 4.01 3.38 2z57A1 VAL 177 H -0.07 0.47 -0.12 -0.55 8.24 7.97 2z57A1 VAL 177 HA -0.04 0.17 0.32 -0.75 4.13 3.83 2z57A1 VAL 177 HB -0.03 -0.06 0.09 -0.04 2.12 2.08 2z57A1 VAL 177 HG13 -0.04 0.03 -0.13 -0.04 0.97 0.80 2z57A1 VAL 177 HG23 -0.04 0.05 -0.03 -0.04 0.95 0.88 2z57A1 GLN 178 H -0.05 0.25 0.19 -0.55 8.47 8.32 2z57A1 GLN 178 HA -0.01 0.17 0.70 -0.75 4.36 4.48 2z57A1 GLN 178 HB2 -0.09 0.20 0.26 -0.04 2.15 2.49 2z57A1 GLN 178 HB3 -0.02 -0.09 -0.00 -0.04 2.02 1.86 2z57A1 GLN 178 HG2 0.01 -0.01 0.02 -0.04 2.40 2.37 2z57A1 GLN 178 HG3 -0.03 0.02 0.06 -0.04 2.39 2.40 2z57A1 GLN 178 HE21 -0.02 0.04 0.03 -0.04 6.97 6.97 2z57A1 GLN 178 HE22 -0.02 -0.06 -0.05 -0.04 7.69 7.52 2z57A1 ILE 179 H 0.04 0.77 0.47 -0.55 8.25 8.98 2z57A1 ILE 179 HA -0.01 0.24 1.04 -0.75 4.18 4.70 2z57A1 ILE 179 HB 0.05 0.04 0.10 -0.04 1.89 2.03 2z57A1 ILE 179 HG12 -0.01 0.26 -0.25 -0.04 1.49 1.45 2z57A1 ILE 179 HG13 -0.01 -0.09 -0.12 -0.04 1.21 0.95 2z57A1 ILE 179 HG23 0.05 -0.06 -0.28 -0.04 0.93 0.60 2z57A1 ILE 179 HD13 -0.02 -0.02 -0.11 -0.04 0.88 0.69 2z57A1 TYR 180 H 0.09 0.63 0.22 -0.55 8.29 8.68 2z57A1 TYR 180 HA 0.17 0.22 0.89 -0.75 4.56 5.09 2z57A1 TYR 180 HB2 0.15 -0.10 0.13 -0.04 3.06 3.19 2z57A1 TYR 180 HB3 0.24 -0.03 -0.11 -0.04 2.98 3.04 2z57A1 TYR 180 HD2 0.27 -0.03 -0.13 -0.04 7.15 7.22 2z57A1 TYR 180 HE2 0.05 0.12 -0.10 -0.04 6.85 6.88 2z57A1 SER 181 H 0.07 0.62 0.21 -0.55 8.46 8.82 2z57A1 SER 181 HA 0.02 0.14 0.91 -0.75 4.49 4.81 2z57A1 SER 181 HB2 0.02 0.01 -0.01 -0.04 3.95 3.93 2z57A1 SER 181 HB3 -0.02 0.01 0.20 -0.04 3.93 4.08 2z57A1 VAL 182 H -0.02 0.70 0.19 -0.55 8.24 8.57 2z57A1 VAL 182 HA -0.23 0.19 0.79 -0.75 4.13 4.13 2z57A1 VAL 182 HB -0.02 -0.07 -0.00 -0.04 2.12 1.99 2z57A1 VAL 182 HG13 -0.08 0.00 -0.22 -0.04 0.97 0.63 2z57A1 VAL 182 HG23 -0.05 0.05 -0.30 -0.04 0.95 0.61 2z57A1 ARG 183 H -0.13 0.93 0.31 -0.55 8.46 9.02 2z57A1 ARG 183 HA -0.03 0.05 0.66 -0.75 4.34 4.27 2z57A1 ARG 183 HB2 -0.04 0.02 0.01 -0.04 1.90 1.85 2z57A1 ARG 183 HB3 -0.06 -0.01 0.29 -0.04 1.80 1.98 2z57A1 ARG 183 HG2 -0.03 -0.16 -0.08 -0.04 1.67 1.36 2z57A1 ARG 183 HG3 -0.02 0.00 -0.09 -0.04 1.67 1.53 2z57A1 ARG 183 HD2 -0.01 0.04 -0.01 -0.04 3.22 3.20 2z57A1 ARG 183 HD3 -0.01 -0.01 -0.36 -0.04 3.22 2.80 2z57A1 VAL 184 H -0.00 0.44 0.37 -0.55 8.24 8.49 2z57A1 VAL 184 HA -0.00 0.08 0.78 -0.75 4.13 4.23 2z57A1 VAL 184 HB 0.02 -0.11 -0.20 -0.04 2.12 1.78 2z57A1 VAL 184 HG13 -0.00 0.06 -0.25 -0.04 0.97 0.73 2z57A1 VAL 184 HG23 0.01 0.01 -0.28 -0.04 0.95 0.65 2z57A1 LEU 185 H 0.00 0.42 0.16 -0.55 8.37 8.41 2z57A1 LEU 185 HA 0.01 0.22 0.76 -0.75 4.35 4.59 2z57A1 LEU 185 HB2 -0.00 -0.10 -0.30 -0.04 1.64 1.20 2z57A1 LEU 185 HB3 -0.02 -0.05 -0.27 -0.04 1.64 1.25 2z57A1 LEU 185 HG 0.01 -0.04 -0.33 -0.04 1.64 1.24 2z57A1 LEU 185 HD13 -0.04 0.01 -0.12 -0.04 0.93 0.74 2z57A1 LEU 185 HD23 0.01 0.03 -0.38 -0.04 0.89 0.50 2z57A1 ASP 186 H -0.00 0.55 0.23 -0.55 8.40 8.63 2z57A1 ASP 186 HA -0.01 0.29 0.62 -0.75 4.63 4.78 2z57A1 ASP 186 HB2 -0.00 -0.05 0.23 -0.04 2.71 2.84 2z57A1 ASP 186 HB3 -0.00 0.05 0.08 -0.04 2.70 2.79 2z57A1 ALA 187 H -0.01 0.20 0.17 -0.55 8.40 8.22 2z57A1 ALA 187 HA -0.01 0.01 0.28 -0.75 4.34 3.87 2z57A1 ALA 187 HB3 -0.01 0.06 0.11 -0.04 1.41 1.52 2z57A1 ARG 188 H -0.01 -0.01 -0.20 -0.55 8.46 7.69 2z57A1 ARG 188 HA -0.01 0.30 0.82 -0.75 4.34 4.69 2z57A1 ARG 188 HB2 -0.01 0.08 0.14 -0.04 1.90 2.08 2z57A1 ARG 188 HB3 -0.01 0.01 0.05 -0.04 1.80 1.81 2z57A1 ARG 188 HG2 -0.01 -0.11 -0.01 -0.04 1.67 1.50 2z57A1 ARG 188 HG3 -0.01 -0.00 -0.20 -0.04 1.67 1.42 2z57A1 ARG 188 HD2 -0.01 0.06 0.00 -0.04 3.22 3.23 2z57A1 ARG 188 HD3 -0.00 0.03 0.01 -0.04 3.22 3.22 2z57A1 GLY 189 H -0.02 0.40 -0.40 -0.55 8.43 7.86 2z57A1 GLY 189 HA2 -0.07 -0.01 0.22 -0.51 4.01 3.64 2z57A1 GLY 189 HA3 -0.09 0.13 0.43 -0.51 4.01 3.96 2z57A1 SER 190 H -0.02 -0.06 -0.19 -0.55 8.46 7.65 2z57A1 SER 190 HA -0.00 0.24 0.85 -0.75 4.49 4.82 2z57A1 SER 190 HB2 -0.00 -0.08 0.00 -0.04 3.95 3.83 2z57A1 SER 190 HB3 0.01 -0.00 -0.07 -0.04 3.93 3.83 2z57A1 GLY 191 H 0.04 0.30 0.18 -0.55 8.43 8.41 2z57A1 GLY 191 HA2 0.03 0.06 0.74 -0.51 4.01 4.33 2z57A1 GLY 191 HA3 0.04 0.19 0.32 -0.51 4.01 4.05 2z57A1 SER 192 H 0.06 0.14 0.18 -0.55 8.46 8.30 2z57A1 SER 192 HA 0.13 0.19 0.80 -0.75 4.49 4.86 2z57A1 SER 192 HB2 0.10 -0.04 0.13 -0.04 3.95 4.10 2z57A1 SER 192 HB3 0.06 0.13 0.13 -0.04 3.93 4.20 2z57A1 TYR 193 H 0.35 0.22 0.19 -0.55 8.29 8.50 2z57A1 TYR 193 HA 0.06 0.14 0.42 -0.75 4.56 4.43 2z57A1 TYR 193 HB2 0.14 -0.01 0.14 -0.04 3.06 3.28 2z57A1 TYR 193 HB3 0.09 0.01 -0.05 -0.04 2.98 2.98 2z57A1 TYR 193 HD2 -0.03 -0.05 -0.01 -0.04 7.15 7.02 2z57A1 TYR 193 HE2 -0.02 0.07 -0.06 -0.04 6.85 6.80 2z57A1 SER 194 H 0.24 0.08 -0.19 -0.55 8.46 8.05 2z57A1 SER 194 HA 0.32 0.11 0.43 -0.75 4.49 4.59 2z57A1 SER 194 HB2 0.05 0.12 -0.00 -0.04 3.95 4.07 2z57A1 SER 194 HB3 0.05 0.04 0.06 -0.04 3.93 4.04 2z57A1 ASP 195 H 0.10 0.07 -0.24 -0.55 8.40 7.79 2z57A1 ASP 195 HA 0.05 0.14 0.29 -0.75 4.63 4.36 2z57A1 ASP 195 HB2 0.05 0.11 0.14 -0.04 2.71 2.97 2z57A1 ASP 195 HB3 0.02 0.04 -0.08 -0.04 2.70 2.64 2z57A1 ILE 196 H 0.08 0.37 -0.26 -0.55 8.25 7.89 2z57A1 ILE 196 HA 0.02 0.04 0.39 -0.75 4.18 3.88 2z57A1 ILE 196 HB -0.05 0.01 0.07 -0.04 1.89 1.89 2z57A1 ILE 196 HG12 0.00 -0.01 -0.15 -0.04 1.49 1.29 2z57A1 ILE 196 HG13 0.03 0.07 -0.10 -0.04 1.21 1.17 2z57A1 ILE 196 HG23 -0.05 0.01 -0.15 -0.04 0.93 0.70 2z57A1 ILE 196 HD13 -0.02 -0.03 -0.26 -0.04 0.88 0.53 2z57A1 ALA 197 H 0.11 0.57 -0.14 -0.55 8.40 8.40 2z57A1 ALA 197 HA 0.06 0.03 0.38 -0.75 4.34 4.06 2z57A1 ALA 197 HB3 0.20 0.01 0.05 -0.04 1.41 1.63 2z57A1 ILE 198 H 0.09 0.57 -0.13 -0.55 8.25 8.23 2z57A1 ILE 198 HA 0.06 0.04 0.47 -0.75 4.18 4.00 2z57A1 ILE 198 HB 0.04 0.06 0.08 -0.04 1.89 2.03 2z57A1 ILE 198 HG12 0.04 -0.00 -0.00 -0.04 1.49 1.49 2z57A1 ILE 198 HG13 0.07 0.10 0.06 -0.04 1.21 1.41 2z57A1 ILE 198 HG23 0.03 -0.00 -0.16 -0.04 0.93 0.75 2z57A1 ILE 198 HD13 0.03 -0.02 -0.10 -0.04 0.88 0.75 2z57A1 GLY 199 H 0.03 0.55 -0.27 -0.55 8.43 8.20 2z57A1 GLY 199 HA2 0.00 -0.02 0.29 -0.51 4.01 3.77 2z57A1 GLY 199 HA3 0.02 0.03 0.18 -0.51 4.01 3.73 2z57A1 ILE 200 H 0.05 0.55 -0.14 -0.55 8.25 8.16 2z57A1 ILE 200 HA 0.07 0.03 0.39 -0.75 4.18 3.91 2z57A1 ILE 200 HB 0.05 0.07 0.07 -0.04 1.89 2.04 2z57A1 ILE 200 HG12 0.05 -0.00 -0.08 -0.04 1.49 1.42 2z57A1 ILE 200 HG13 0.04 0.10 -0.02 -0.04 1.21 1.28 2z57A1 ILE 200 HG23 0.06 -0.00 -0.22 -0.04 0.93 0.72 2z57A1 ILE 200 HD13 0.03 -0.03 -0.13 -0.04 0.88 0.71 2z57A1 GLU 201 H 0.06 0.51 -0.22 -0.55 8.60 8.40 2z57A1 GLU 201 HA 0.07 0.01 0.35 -0.75 4.29 3.96 2z57A1 GLU 201 HB2 0.06 -0.02 0.10 -0.04 2.09 2.19 2z57A1 GLU 201 HB3 0.06 0.17 0.17 -0.04 1.99 2.35 2z57A1 GLU 201 HG2 0.06 0.02 -0.19 -0.04 2.34 2.19 2z57A1 GLU 201 HG3 0.06 -0.04 -0.01 -0.04 2.34 2.30 2z57A1 GLN 202 H 0.08 0.50 -0.25 -0.55 8.47 8.26 2z57A1 GLN 202 HA 0.20 0.02 0.24 -0.75 4.36 4.07 2z57A1 GLN 202 HB2 0.04 0.08 0.01 -0.04 2.15 2.25 2z57A1 GLN 202 HB3 0.16 -0.03 -0.12 -0.04 2.02 1.99 2z57A1 GLN 202 HG2 0.05 0.22 -0.06 -0.04 2.40 2.57 2z57A1 GLN 202 HG3 -0.01 -0.08 -0.16 -0.04 2.39 2.09 2z57A1 GLN 202 HE21 0.09 0.02 -0.09 -0.04 6.97 6.94 2z57A1 GLN 202 HE22 0.07 -0.00 -0.09 -0.04 7.69 7.62 2z57A1 ALA 203 H 0.15 0.44 -0.32 -0.55 8.40 8.12 2z57A1 ALA 203 HA 0.39 0.01 0.35 -0.75 4.34 4.33 2z57A1 ALA 203 HB3 0.16 0.01 0.03 -0.04 1.41 1.57 2z57A1 ILE 204 H 0.12 0.37 -0.27 -0.55 8.25 7.92 2z57A1 ILE 204 HA 0.08 0.11 0.62 -0.75 4.18 4.23 2z57A1 ILE 204 HB 0.06 0.05 0.08 -0.04 1.89 2.04 2z57A1 ILE 204 HG12 0.05 0.02 -0.05 -0.04 1.49 1.47 2z57A1 ILE 204 HG13 0.07 0.11 -0.03 -0.04 1.21 1.32 2z57A1 ILE 204 HG23 0.03 -0.02 -0.14 -0.04 0.93 0.77 2z57A1 ILE 204 HD13 0.05 -0.04 -0.19 -0.04 0.88 0.66 2z57A1 LEU 205 H 0.09 0.60 -0.02 -0.55 8.37 8.49 2z57A1 LEU 205 HA 0.02 -0.04 0.04 -0.75 4.35 3.62 2z57A1 LEU 205 HB2 0.09 0.05 -0.04 -0.04 1.64 1.70 2z57A1 LEU 205 HB3 0.02 -0.15 -0.35 -0.04 1.64 1.12 2z57A1 LEU 205 HG 0.06 0.14 -0.08 -0.04 1.64 1.72 2z57A1 LEU 205 HD13 0.06 -0.02 -0.15 -0.04 0.93 0.79 2z57A1 LEU 205 HD23 0.02 0.01 -0.20 -0.04 0.89 0.68 2z57A1 GLY 206 H 0.11 0.65 -0.19 -0.55 8.43 8.45 2z57A1 GLY 206 HA2 -0.38 0.05 0.20 -0.51 4.01 3.37 2z57A1 GLY 206 HA3 -0.23 0.16 0.21 -0.51 4.01 3.63 2z57A1 PRO 207 HA -1.21 0.01 0.35 -0.51 4.44 3.08 2z57A1 PRO 207 HB2 -0.51 0.04 0.04 -0.04 2.28 1.81 2z57A1 PRO 207 HB3 -0.76 0.00 0.08 -0.04 2.02 1.30 2z57A1 PRO 207 HG2 -0.65 0.12 0.05 -0.04 2.03 1.51 2z57A1 PRO 207 HG3 -2.09 -0.02 0.04 -0.04 2.03 -0.08 2z57A1 PRO 207 HD2 -0.54 0.22 0.17 -0.04 3.68 3.49 2z57A1 PRO 207 HD3 -1.49 0.12 0.11 -0.04 3.65 2.34 2z57A1 ASP 208 H -0.31 0.18 -0.31 -0.55 8.40 7.42 2z57A1 ASP 208 HA -0.13 0.09 0.32 -0.75 4.63 4.16 2z57A1 ASP 208 HB2 -0.08 -0.02 0.11 -0.04 2.71 2.67 2z57A1 ASP 208 HB3 -0.13 0.01 0.03 -0.04 2.70 2.57 2z57A1 GLY 209 H -0.15 0.53 -0.61 -0.55 8.43 7.66 2z57A1 GLY 209 HA2 -0.00 -0.01 0.15 -0.51 4.01 3.64 2z57A1 GLY 209 HA3 -0.02 0.02 0.33 -0.51 4.01 3.83 2z57A1 VAL 210 H -0.05 0.26 -0.43 -0.55 8.24 7.47 2z57A1 VAL 210 HA -0.01 0.09 0.83 -0.75 4.13 4.29 2z57A1 VAL 210 HB -0.03 0.00 -0.07 -0.04 2.12 1.98 2z57A1 VAL 210 HG13 -0.01 -0.05 -0.27 -0.04 0.97 0.60 2z57A1 VAL 210 HG23 -0.02 0.08 -0.21 -0.04 0.95 0.76 2z57A1 ALA 211 H 0.00 0.10 0.04 -0.55 8.40 7.99 2z57A1 ALA 211 HA 0.01 0.29 0.32 -0.75 4.34 4.20 2z57A1 ALA 211 HB3 0.01 -0.02 0.01 -0.04 1.41 1.37 2z57A1 ASP 212 H -0.00 0.08 -0.23 -0.55 8.40 7.70 2z57A1 ASP 212 HA -0.00 0.26 0.71 -0.75 4.63 4.84 2z57A1 ASP 212 HB2 0.00 0.12 -0.24 -0.04 2.71 2.55 2z57A1 ASP 212 HB3 -0.00 0.00 0.09 -0.04 2.70 2.75 2z57A1 LYS 213 H -0.01 0.33 -0.00 -0.55 8.42 8.18 2z57A1 LYS 213 HA -0.01 0.05 0.22 -0.75 4.32 3.82 2z57A1 LYS 213 HB2 -0.02 0.05 0.05 -0.04 1.87 1.92 2z57A1 LYS 213 HB3 -0.01 0.02 -0.06 -0.04 1.79 1.69 2z57A1 LYS 213 HG2 -0.02 -0.04 -0.01 -0.04 1.46 1.35 2z57A1 LYS 213 HG3 -0.03 0.07 0.00 -0.04 1.46 1.46 2z57A1 LYS 213 HD2 -0.03 -0.05 0.01 -0.04 1.69 1.58 2z57A1 LYS 213 HD3 -0.04 0.00 0.03 -0.04 1.68 1.63 2z57A1 LYS 213 HE2 -0.02 0.15 0.06 -0.04 2.99 3.13 2z57A1 LYS 213 HE3 -0.02 -0.11 -0.01 -0.04 2.99 2.81 2z57A1 ASP 214 H -0.00 0.06 -0.20 -0.55 8.40 7.70 2z57A1 ASP 214 HA -0.00 0.25 0.77 -0.75 4.63 4.89 2z57A1 ASP 214 HB2 -0.00 0.04 0.13 -0.04 2.71 2.84 2z57A1 ASP 214 HB3 -0.00 0.04 0.00 -0.04 2.70 2.70 2z57A1 GLY 215 H -0.00 0.26 -0.36 -0.55 8.43 7.78 2z57A1 GLY 215 HA2 -0.00 0.03 0.27 -0.51 4.01 3.80 2z57A1 GLY 215 HA3 -0.00 0.10 0.22 -0.51 4.01 3.81 2z57A1 ASP 216 H 0.00 0.01 -0.29 -0.55 8.40 7.58 2z57A1 ASP 216 HA 0.00 0.25 0.63 -0.75 4.63 4.76 2z57A1 ASP 216 HB2 0.00 0.04 0.13 -0.04 2.71 2.84 2z57A1 ASP 216 HB3 0.00 0.08 -0.01 -0.04 2.70 2.73 2z57A1 GLY 217 H 0.00 0.01 -0.33 -0.55 8.43 7.57 2z57A1 GLY 217 HA2 -0.00 -0.01 0.21 -0.51 4.01 3.70 2z57A1 GLY 217 HA3 -0.00 0.13 0.50 -0.51 4.01 4.13 2z57A1 ILE 218 H 0.00 -0.05 -0.47 -0.55 8.25 7.19 2z57A1 ILE 218 HA -0.00 0.22 0.76 -0.75 4.18 4.41 2z57A1 ILE 218 HB 0.01 -0.12 0.01 -0.04 1.89 1.76 2z57A1 ILE 218 HG12 0.01 -0.07 -0.10 -0.04 1.49 1.29 2z57A1 ILE 218 HG13 0.02 0.02 -0.04 -0.04 1.21 1.17 2z57A1 ILE 218 HG23 0.02 0.04 -0.18 -0.04 0.93 0.77 2z57A1 ILE 218 HD13 0.00 0.01 -0.22 -0.04 0.88 0.63 2z57A1 ILE 219 H -0.00 0.30 0.08 -0.55 8.25 8.07 2z57A1 ILE 219 HA 0.00 0.10 0.93 -0.75 4.18 4.45 2z57A1 ILE 219 HB -0.00 0.09 0.23 -0.04 1.89 2.16 2z57A1 ILE 219 HG12 0.00 0.01 -0.32 -0.04 1.49 1.15 2z57A1 ILE 219 HG13 -0.00 -0.10 -0.68 -0.04 1.21 0.38 2z57A1 ILE 219 HG23 0.01 0.04 0.00 -0.04 0.93 0.95 2z57A1 ILE 219 HD13 0.00 -0.02 -0.13 -0.04 0.88 0.69 2z57A1 ALA 220 H -0.01 0.71 0.30 -0.55 8.40 8.86 2z57A1 ALA 220 HA -0.01 0.14 0.53 -0.75 4.34 4.24 2z57A1 ALA 220 HB3 -0.02 -0.01 0.01 -0.04 1.41 1.35 2z57A1 GLY 221 H -0.04 0.25 0.07 -0.55 8.43 8.16 2z57A1 GLY 221 HA2 -0.06 -0.00 0.20 -0.51 4.01 3.64 2z57A1 GLY 221 HA3 0.05 0.04 0.37 -0.51 4.01 3.96 2z57A1 ASP 222 H 0.00 0.41 -0.66 -0.55 8.40 7.60 2z57A1 ASP 222 HA 0.05 0.15 0.65 -0.75 4.63 4.73 2z57A1 ASP 222 HB2 0.01 0.02 -0.27 -0.04 2.71 2.43 2z57A1 ASP 222 HB3 0.00 0.03 0.09 -0.04 2.70 2.77 2z57A1 PRO 223 HA -0.04 0.19 0.38 -0.51 4.44 4.45 2z57A1 PRO 223 HB2 0.04 -0.01 -0.01 -0.04 2.28 2.26 2z57A1 PRO 223 HB3 0.05 0.02 0.07 -0.04 2.02 2.12 2z57A1 PRO 223 HG2 0.06 -0.05 0.05 -0.04 2.03 2.05 2z57A1 PRO 223 HG3 0.16 0.07 0.08 -0.04 2.03 2.30 2z57A1 PRO 223 HD2 0.07 -0.01 0.25 -0.04 3.68 3.96 2z57A1 PRO 223 HD3 0.17 0.38 0.27 -0.04 3.65 4.43 2z57A1 ASP 224 H 0.01 0.03 -0.27 -0.55 8.40 7.63 2z57A1 ASP 224 HA -0.01 0.12 0.66 -0.75 4.63 4.65 2z57A1 ASP 224 HB2 0.01 0.00 0.06 -0.04 2.71 2.74 2z57A1 ASP 224 HB3 0.00 -0.05 0.00 -0.04 2.70 2.61 2z57A1 ASP 225 H -0.01 0.37 -0.25 -0.55 8.40 7.96 2z57A1 ASP 225 HA -0.03 0.10 0.91 -0.75 4.63 4.86 2z57A1 ASP 225 HB2 -0.01 0.19 0.18 -0.04 2.71 3.03 2z57A1 ASP 225 HB3 -0.01 -0.01 0.22 -0.04 2.70 2.86 2z57A1 ASP 226 H -0.03 0.16 0.12 -0.55 8.40 8.10 2z57A1 ASP 226 HA -0.01 0.29 0.78 -0.75 4.63 4.94 2z57A1 ASP 226 HB2 -0.03 -0.02 0.13 -0.04 2.71 2.74 2z57A1 ASP 226 HB3 -0.07 0.03 -0.11 -0.04 2.70 2.51 2z57A1 ALA 227 H 0.01 0.05 -0.07 -0.55 8.40 7.84 2z57A1 ALA 227 HA 0.11 0.09 0.41 -0.75 4.34 4.19 2z57A1 ALA 227 HB3 0.03 0.04 -0.00 -0.04 1.41 1.43 2z57A1 ALA 228 H 0.19 0.46 0.25 -0.55 8.40 8.74 2z57A1 ALA 228 HA -0.15 0.05 0.58 -0.75 4.34 4.06 2z57A1 ALA 228 HB3 0.06 -0.04 0.05 -0.04 1.41 1.44 2z57A1 GLU 229 H -0.08 0.56 0.42 -0.55 8.60 8.95 2z57A1 GLU 229 HA -0.02 0.17 0.81 -0.75 4.29 4.50 2z57A1 GLU 229 HB2 -0.05 -0.00 0.18 -0.04 2.09 2.17 2z57A1 GLU 229 HB3 -0.02 -0.03 0.10 -0.04 1.99 1.99 2z57A1 GLU 229 HG2 -0.05 -0.01 -0.02 -0.04 2.34 2.22 2z57A1 GLU 229 HG3 -0.03 -0.03 0.02 -0.04 2.34 2.26 2z57A1 VAL 230 H -0.02 0.24 0.27 -0.55 8.24 8.19 2z57A1 VAL 230 HA 0.02 0.35 0.96 -0.75 4.13 4.71 2z57A1 VAL 230 HB -0.00 -0.11 0.11 -0.04 2.12 2.07 2z57A1 VAL 230 HG13 0.03 -0.01 -0.11 -0.04 0.97 0.84 2z57A1 VAL 230 HG23 -0.00 0.02 -0.20 -0.04 0.95 0.73 2z57A1 ILE 231 H 0.05 0.78 0.29 -0.55 8.25 8.82 2z57A1 ILE 231 HA 0.06 0.25 0.98 -0.75 4.18 4.72 2z57A1 ILE 231 HB 0.07 0.00 0.04 -0.04 1.89 1.96 2z57A1 ILE 231 HG12 0.09 -0.03 -0.01 -0.04 1.49 1.50 2z57A1 ILE 231 HG13 0.07 0.04 -0.41 -0.04 1.21 0.87 2z57A1 ILE 231 HG23 0.07 -0.03 -0.20 -0.04 0.93 0.72 2z57A1 ILE 231 HD13 0.08 -0.00 -0.13 -0.04 0.88 0.78 2z57A1 SER 232 H 0.05 0.71 0.32 -0.55 8.46 8.99 2z57A1 SER 232 HA 0.05 0.22 0.83 -0.75 4.49 4.84 2z57A1 SER 232 HB2 0.03 0.04 -0.12 -0.04 3.95 3.86 2z57A1 SER 232 HB3 0.03 -0.08 0.10 -0.04 3.93 3.94 2z57A1 MET 233 H 0.06 0.85 0.35 -0.55 8.47 9.18 2z57A1 MET 233 HA 0.05 0.22 1.06 -0.75 4.52 5.09 2z57A1 MET 233 HB2 0.05 0.07 0.19 -0.04 2.15 2.42 2z57A1 MET 233 HB3 0.03 -0.04 0.10 -0.04 2.03 2.08 2z57A1 MET 233 HG2 0.04 0.02 -0.03 -0.04 2.63 2.61 2z57A1 MET 233 HG3 0.05 -0.01 -0.44 -0.04 2.56 2.12 2z57A1 MET 233 HE3 0.07 0.03 -0.15 -0.04 2.10 2.01 2z57A1 SER 234 H 0.08 0.27 0.02 -0.55 8.46 8.28 2z57A1 SER 234 HA 0.09 0.04 0.73 -0.75 4.49 4.59 2z57A1 SER 234 HB2 0.13 -0.01 0.17 -0.04 3.95 4.20 2z57A1 SER 234 HB3 0.17 -0.12 0.25 -0.04 3.93 4.19 2z57A1 LEU 235 H 0.06 0.62 -0.14 -0.55 8.37 8.37 2z57A1 LEU 235 HA 0.03 0.07 0.69 -0.75 4.35 4.39 2z57A1 LEU 235 HB2 0.01 -0.01 0.00 -0.04 1.64 1.61 2z57A1 LEU 235 HB3 0.03 0.05 -0.29 -0.04 1.64 1.39 2z57A1 LEU 235 HG 0.03 -0.11 -0.22 -0.04 1.64 1.30 2z57A1 LEU 235 HD13 -0.02 0.01 -0.31 -0.04 0.93 0.58 2z57A1 LEU 235 HD23 0.02 0.03 -0.16 -0.04 0.89 0.74 2z57A1 GLY 236 H 0.02 0.27 0.23 -0.55 8.43 8.41 2z57A1 GLY 236 HA2 0.01 0.34 0.65 -0.51 4.01 4.51 2z57A1 GLY 236 HA3 0.03 0.00 0.28 -0.51 4.01 3.81 2z57A1 GLY 237 H 0.12 0.68 0.42 -0.55 8.43 9.10 2z57A1 GLY 237 HA2 0.13 0.15 0.74 -0.51 4.01 4.52 2z57A1 GLY 237 HA3 0.33 -0.03 0.38 -0.51 4.01 4.19 2z57A1 PRO 238 HA 0.17 0.16 0.62 -0.51 4.44 4.88 2z57A1 PRO 238 HB2 0.04 0.05 0.03 -0.04 2.28 2.36 2z57A1 PRO 238 HB3 0.05 0.06 0.12 -0.04 2.02 2.21 2z57A1 PRO 238 HG2 0.00 0.01 0.08 -0.04 2.03 2.08 2z57A1 PRO 238 HG3 0.02 0.07 0.10 -0.04 2.03 2.19 2z57A1 PRO 238 HD2 0.07 0.06 0.28 -0.04 3.68 4.06 2z57A1 PRO 238 HD3 0.07 0.17 0.23 -0.04 3.65 4.08 2z57A1 ALA 239 H 0.12 0.02 -0.14 -0.55 8.40 7.85 2z57A1 ALA 239 HA -0.09 0.15 0.48 -0.75 4.34 4.12 2z57A1 ALA 239 HB3 -0.28 -0.01 0.01 -0.04 1.41 1.09 2z57A1 ASP 240 H -0.24 0.24 0.11 -0.55 8.40 7.96 2z57A1 ASP 240 HA -0.52 0.14 0.84 -0.75 4.63 4.34 2z57A1 ASP 240 HB2 -1.48 0.11 -0.02 -0.04 2.71 1.28 2z57A1 ASP 240 HB3 -0.35 0.01 0.18 -0.04 2.70 2.50 2z57A1 ASP 241 H 0.06 0.21 -0.02 -0.55 8.40 8.11 2z57A1 ASP 241 HA 0.02 0.23 0.90 -0.75 4.63 5.02 2z57A1 ASP 241 HB2 -0.06 -0.03 0.09 -0.04 2.71 2.66 2z57A1 ASP 241 HB3 0.02 -0.05 0.03 -0.04 2.70 2.66 2z57A1 SER 242 H 0.07 0.25 0.16 -0.55 8.46 8.39 2z57A1 SER 242 HA 0.10 0.12 0.36 -0.75 4.49 4.31 2z57A1 SER 242 HB2 0.07 0.09 0.07 -0.04 3.95 4.14 2z57A1 SER 242 HB3 0.07 0.06 0.15 -0.04 3.93 4.18 2z57A1 TYR 243 H 0.25 0.08 -0.15 -0.55 8.29 7.91 2z57A1 TYR 243 HA 0.02 0.15 0.39 -0.75 4.56 4.37 2z57A1 TYR 243 HB2 0.03 0.09 0.02 -0.04 3.06 3.17 2z57A1 TYR 243 HB3 0.03 0.02 0.06 -0.04 2.98 3.06 2z57A1 TYR 243 HD2 0.05 0.02 -0.13 -0.04 7.15 7.05 2z57A1 TYR 243 HE2 0.08 0.03 -0.09 -0.04 6.85 6.82 2z57A1 LEU 244 H -0.72 0.06 -0.26 -0.55 8.37 6.90 2z57A1 LEU 244 HA -0.22 0.08 0.43 -0.75 4.35 3.89 2z57A1 LEU 244 HB2 -0.49 -0.06 0.05 -0.04 1.64 1.10 2z57A1 LEU 244 HB3 -0.18 0.04 0.12 -0.04 1.64 1.58 2z57A1 LEU 244 HG 0.01 0.05 -0.25 -0.04 1.64 1.41 2z57A1 LEU 244 HD13 -0.08 0.01 -0.03 -0.04 0.93 0.80 2z57A1 LEU 244 HD23 -0.32 -0.00 -0.06 -0.04 0.89 0.47 2z57A1 TYR 245 H -0.02 0.55 -0.07 -0.55 8.29 8.20 2z57A1 TYR 245 HA -0.57 0.03 0.46 -0.75 4.56 3.73 2z57A1 TYR 245 HB2 -0.37 -0.01 0.03 -0.04 3.06 2.66 2z57A1 TYR 245 HB3 -0.19 0.09 0.09 -0.04 2.98 2.92 2z57A1 TYR 245 HD2 -0.58 -0.02 0.02 -0.04 7.15 6.52 2z57A1 TYR 245 HE2 -0.17 -0.01 -0.02 -0.04 6.85 6.62 2z57A1 ASP 246 H -0.05 0.61 -0.12 -0.55 8.40 8.30 2z57A1 ASP 246 HA -0.21 0.01 0.38 -0.75 4.63 4.07 2z57A1 ASP 246 HB2 0.02 0.15 0.15 -0.04 2.71 3.00 2z57A1 ASP 246 HB3 -0.02 -0.01 -0.05 -0.04 2.70 2.58 2z57A1 MET 247 H -0.03 0.38 -0.34 -0.55 8.47 7.93 2z57A1 MET 247 HA 0.01 0.05 0.48 -0.75 4.52 4.31 2z57A1 MET 247 HB2 0.06 0.01 0.11 -0.04 2.15 2.29 2z57A1 MET 247 HB3 0.01 0.05 0.15 -0.04 2.03 2.21 2z57A1 MET 247 HG2 0.06 0.08 0.06 -0.04 2.63 2.80 2z57A1 MET 247 HG3 0.04 -0.02 -0.16 -0.04 2.56 2.38 2z57A1 MET 247 HE3 0.07 0.01 -0.05 -0.04 2.10 2.08 2z57A1 ILE 248 H -0.04 0.55 0.02 -0.55 8.25 8.23 2z57A1 ILE 248 HA 0.04 0.01 0.46 -0.75 4.18 3.94 2z57A1 ILE 248 HB -0.06 0.12 0.21 -0.04 1.89 2.12 2z57A1 ILE 248 HG12 0.03 0.08 0.03 -0.04 1.49 1.59 2z57A1 ILE 248 HG13 0.13 -0.07 -0.04 -0.04 1.21 1.18 2z57A1 ILE 248 HG23 0.09 -0.00 -0.16 -0.04 0.93 0.83 2z57A1 ILE 248 HD13 0.12 -0.00 -0.06 -0.04 0.88 0.90 2z57A1 ILE 249 H -0.22 0.64 -0.18 -0.55 8.25 7.93 2z57A1 ILE 249 HA -0.07 -0.00 0.37 -0.75 4.18 3.73 2z57A1 ILE 249 HB -0.26 0.09 0.13 -0.04 1.89 1.81 2z57A1 ILE 249 HG12 -0.37 -0.02 0.01 -0.04 1.49 1.07 2z57A1 ILE 249 HG13 -0.66 -0.04 -0.01 -0.04 1.21 0.46 2z57A1 ILE 249 HG23 -0.09 -0.01 -0.07 -0.04 0.93 0.72 2z57A1 ILE 249 HD13 -1.05 -0.02 -0.13 -0.04 0.88 -0.35 2z57A1 GLN 250 H -0.03 0.40 -0.24 -0.55 8.47 8.05 2z57A1 GLN 250 HA 0.01 0.02 0.46 -0.75 4.36 4.10 2z57A1 GLN 250 HB2 0.01 0.10 0.16 -0.04 2.15 2.39 2z57A1 GLN 250 HB3 0.02 -0.04 -0.02 -0.04 2.02 1.94 2z57A1 GLN 250 HG2 -0.02 0.22 0.07 -0.04 2.40 2.64 2z57A1 GLN 250 HG3 0.01 -0.07 -0.01 -0.04 2.39 2.27 2z57A1 GLN 250 HE21 0.00 -0.00 -0.02 -0.04 6.97 6.91 2z57A1 GLN 250 HE22 0.01 0.01 -0.02 -0.04 7.69 7.65 2z57A1 ALA 251 H 0.04 0.51 -0.11 -0.55 8.40 8.29 2z57A1 ALA 251 HA 0.05 0.04 0.44 -0.75 4.34 4.11 2z57A1 ALA 251 HB3 0.07 0.01 0.03 -0.04 1.41 1.48 2z57A1 TYR 252 H 0.16 0.56 -0.11 -0.55 8.29 8.36 2z57A1 TYR 252 HA 0.02 0.20 0.41 -0.75 4.56 4.44 2z57A1 TYR 252 HB2 0.02 0.02 0.12 -0.04 3.06 3.18 2z57A1 TYR 252 HB3 -0.01 0.04 0.17 -0.04 2.98 3.14 2z57A1 TYR 252 HD2 0.02 0.09 0.03 -0.04 7.15 7.24 2z57A1 TYR 252 HE2 0.03 0.06 0.01 -0.04 6.85 6.92 2z57A1 ASN 253 H 0.10 0.50 -0.17 -0.55 8.53 8.41 2z57A1 ASN 253 HA -0.07 0.02 0.47 -0.75 4.76 4.43 2z57A1 ASN 253 HB2 0.03 0.14 0.19 -0.04 2.88 3.20 2z57A1 ASN 253 HB3 0.01 -0.03 0.07 -0.04 2.79 2.80 2z57A1 ASN 253 HD21 0.11 -0.11 0.02 -0.04 7.03 7.01 2z57A1 ASN 253 HD22 0.08 0.41 0.11 -0.04 7.74 8.30 2z57A1 ALA 254 H -0.00 0.37 -0.40 -0.55 8.40 7.82 2z57A1 ALA 254 HA -0.01 0.07 0.69 -0.75 4.34 4.34 2z57A1 ALA 254 HB3 0.01 0.02 0.13 -0.04 1.41 1.53 2z57A1 GLY 255 H -0.11 0.43 -0.38 -0.55 8.43 7.82 2z57A1 GLY 255 HA2 -0.16 -0.04 0.33 -0.51 4.01 3.63 2z57A1 GLY 255 HA3 -0.07 0.09 0.60 -0.51 4.01 4.12 2z57A1 ILE 256 H -0.04 0.35 0.01 -0.55 8.25 8.03 2z57A1 ILE 256 HA -0.01 0.21 0.51 -0.75 4.18 4.14 2z57A1 ILE 256 HB 0.04 -0.04 -0.11 -0.04 1.89 1.74 2z57A1 ILE 256 HG12 0.02 0.35 -0.09 -0.04 1.49 1.73 2z57A1 ILE 256 HG13 0.01 -0.09 -0.23 -0.04 1.21 0.86 2z57A1 ILE 256 HG23 0.04 -0.04 -0.60 -0.04 0.93 0.29 2z57A1 ILE 256 HD13 0.05 -0.06 -0.10 -0.04 0.88 0.74 2z57A1 VAL 257 H 0.01 0.63 0.32 -0.55 8.24 8.66 2z57A1 VAL 257 HA 0.07 0.08 0.74 -0.75 4.13 4.27 2z57A1 VAL 257 HB 0.02 -0.02 0.20 -0.04 2.12 2.29 2z57A1 VAL 257 HG13 0.05 -0.02 -0.13 -0.04 0.97 0.83 2z57A1 VAL 257 HG23 -0.01 0.02 0.06 -0.04 0.95 0.99 2z57A1 ILE 258 H 0.13 0.30 0.24 -0.55 8.25 8.37 2z57A1 ILE 258 HA 0.08 0.21 1.02 -0.75 4.18 4.74 2z57A1 ILE 258 HB 0.14 0.07 0.09 -0.04 1.89 2.14 2z57A1 ILE 258 HG12 0.10 -0.06 -0.20 -0.04 1.49 1.30 2z57A1 ILE 258 HG13 0.13 0.16 -0.28 -0.04 1.21 1.18 2z57A1 ILE 258 HG23 0.10 -0.03 -0.13 -0.04 0.93 0.83 2z57A1 ILE 258 HD13 0.15 -0.02 -0.06 -0.04 0.88 0.90 2z57A1 VAL 259 H 0.08 0.81 0.42 -0.55 8.24 9.00 2z57A1 VAL 259 HA 0.09 0.21 1.03 -0.75 4.13 4.72 2z57A1 VAL 259 HB 0.06 -0.11 0.05 -0.04 2.12 2.08 2z57A1 VAL 259 HG13 0.08 -0.00 -0.09 -0.04 0.97 0.92 2z57A1 VAL 259 HG23 0.07 0.03 -0.29 -0.04 0.95 0.71 2z57A1 ALA 260 H 0.08 0.84 0.31 -0.55 8.40 9.09 2z57A1 ALA 260 HA 0.06 0.12 0.92 -0.75 4.34 4.69 2z57A1 ALA 260 HB3 0.05 0.01 -0.09 -0.04 1.41 1.34 2z57A1 ALA 261 H 0.06 0.39 0.34 -0.55 8.40 8.64 2z57A1 ALA 261 HA 0.07 0.19 0.56 -0.75 4.34 4.41 2z57A1 ALA 261 HB3 0.08 -0.06 -0.10 -0.04 1.41 1.28 2z57A1 SER 262 H 0.07 0.60 0.34 -0.55 8.46 8.92 2z57A1 SER 262 HA 0.01 0.10 0.36 -0.75 4.49 4.20 2z57A1 SER 262 HB2 0.02 0.14 -0.11 -0.04 3.95 3.95 2z57A1 SER 262 HB3 0.05 -0.05 -0.28 -0.04 3.93 3.60 2z57A1 GLY 263 H 0.07 -0.04 -0.10 -0.55 8.43 7.82 2z57A1 GLY 263 HA2 0.04 0.01 0.26 -0.51 4.01 3.80 2z57A1 GLY 263 HA3 0.03 0.22 0.85 -0.51 4.01 4.60 2z57A1 ASN 264 H 0.04 0.19 0.14 -0.55 8.53 8.35 2z57A1 ASN 264 HA 0.25 0.31 0.84 -0.75 4.76 5.41 2z57A1 ASN 264 HB2 -0.04 0.05 0.13 -0.04 2.88 2.99 2z57A1 ASN 264 HB3 -0.15 0.06 0.22 -0.04 2.79 2.87 2z57A1 ASN 264 HD21 -0.09 -0.14 0.11 -0.04 7.03 6.87 2z57A1 ASN 264 HD22 -0.13 0.14 0.07 -0.04 7.74 7.78 2z57A1 GLU 265 H 0.06 0.08 -0.07 -0.55 8.60 8.12 2z57A1 GLU 265 HA 0.04 0.19 0.64 -0.75 4.29 4.41 2z57A1 GLU 265 HB2 0.02 -0.00 0.04 -0.04 2.09 2.11 2z57A1 GLU 265 HB3 0.02 0.07 0.11 -0.04 1.99 2.15 2z57A1 GLU 265 HG2 0.02 0.05 -0.00 -0.04 2.34 2.36 2z57A1 GLU 265 HG3 0.02 0.05 -0.13 -0.04 2.34 2.24 2z57A1 GLY 266 H 0.08 0.47 -0.22 -0.55 8.43 8.22 2z57A1 GLY 266 HA2 0.01 0.22 -0.06 -0.51 4.01 3.68 2z57A1 GLY 266 HA3 0.02 0.05 0.42 -0.51 4.01 4.00 2z57A1 ALA 267 H 0.02 -0.15 -0.27 -0.55 8.40 7.45 2z57A1 ALA 267 HA -0.00 0.18 0.41 -0.75 4.34 4.17 2z57A1 ALA 267 HB3 -0.00 0.01 0.05 -0.04 1.41 1.42 2z57A1 PRO 268 HA -0.01 0.11 0.56 -0.51 4.44 4.59 2z57A1 PRO 268 HB2 -0.00 0.04 -0.02 -0.04 2.28 2.26 2z57A1 PRO 268 HB3 -0.00 0.01 0.11 -0.04 2.02 2.09 2z57A1 PRO 268 HG2 -0.01 0.04 0.02 -0.04 2.03 2.04 2z57A1 PRO 268 HG3 -0.00 0.01 0.06 -0.04 2.03 2.06 2z57A1 PRO 268 HD2 -0.00 0.04 0.20 -0.04 3.68 3.88 2z57A1 PRO 268 HD3 -0.00 0.16 0.16 -0.04 3.65 3.92 2z57A1 SER 269 H -0.02 0.10 -0.28 -0.55 8.46 7.71 2z57A1 SER 269 HA -0.01 0.45 0.43 -0.75 4.49 4.61 2z57A1 SER 269 HB2 -0.08 0.09 0.09 -0.04 3.95 4.02 2z57A1 SER 269 HB3 -0.03 0.02 -0.16 -0.04 3.93 3.72 2z57A1 PRO 270 HA -0.06 0.14 0.51 -0.51 4.44 4.53 2z57A1 PRO 270 HB2 -0.18 -0.02 -0.15 -0.04 2.28 1.88 2z57A1 PRO 270 HB3 -0.06 -0.11 0.04 -0.04 2.02 1.85 2z57A1 PRO 270 HG2 -0.04 0.07 -0.05 -0.04 2.03 1.96 2z57A1 PRO 270 HG3 0.00 0.07 -0.25 -0.04 2.03 1.82 2z57A1 PRO 270 HD2 -0.12 0.01 0.14 -0.04 3.68 3.67 2z57A1 PRO 270 HD3 -0.02 0.30 0.20 -0.04 3.65 4.08 2z57A1 SER 271 H -0.07 0.56 0.30 -0.55 8.46 8.70 2z57A1 SER 271 HA -0.13 0.10 0.58 -0.75 4.49 4.28 2z57A1 SER 271 HB2 -0.02 0.04 -0.02 -0.04 3.95 3.90 2z57A1 SER 271 HB3 0.02 -0.04 0.12 -0.04 3.93 3.99 2z57A1 TYR 272 H 0.11 0.63 0.32 -0.55 8.29 8.80 2z57A1 TYR 272 HA -0.28 -0.03 0.70 -0.75 4.56 4.20 2z57A1 TYR 272 HB2 -0.04 0.09 0.07 -0.04 3.06 3.13 2z57A1 TYR 272 HB3 -0.25 -0.07 0.03 -0.04 2.98 2.65 2z57A1 TYR 272 HD2 -0.84 -0.01 -0.14 -0.04 7.15 6.12 2z57A1 TYR 272 HE2 -0.31 0.04 -0.12 -0.04 6.85 6.43 2z57A1 PRO 273 HA -0.10 0.02 0.31 -0.51 4.44 4.17 2z57A1 PRO 273 HB2 0.25 0.08 -0.00 -0.04 2.28 2.57 2z57A1 PRO 273 HB3 0.22 -0.03 0.02 -0.04 2.02 2.18 2z57A1 PRO 273 HG2 0.06 0.10 -0.07 -0.04 2.03 2.08 2z57A1 PRO 273 HG3 0.03 -0.00 -0.01 -0.04 2.03 2.01 2z57A1 PRO 273 HD2 0.00 0.26 0.17 -0.04 3.68 4.07 2z57A1 PRO 273 HD3 -0.06 0.02 0.29 -0.04 3.65 3.86 2z57A1 ALA 274 H -0.07 0.19 -0.18 -0.55 8.40 7.78 2z57A1 ALA 274 HA 0.01 0.01 0.07 -0.75 4.34 3.68 2z57A1 ALA 274 HB3 -0.04 0.05 -0.12 -0.04 1.41 1.26 2z57A1 ALA 275 H -0.43 0.18 -0.32 -0.55 8.40 7.28 2z57A1 ALA 275 HA -0.23 0.12 0.27 -0.75 4.34 3.75 2z57A1 ALA 275 HB3 -0.84 0.01 -0.14 -0.04 1.41 0.40 2z57A1 TYR 276 H -0.15 0.40 -0.38 -0.55 8.29 7.61 2z57A1 TYR 276 HA -0.12 0.06 0.45 -0.75 4.56 4.19 2z57A1 TYR 276 HB2 0.05 0.13 0.07 -0.04 3.06 3.27 2z57A1 TYR 276 HB3 0.09 -0.12 0.01 -0.04 2.98 2.92 2z57A1 TYR 276 HD2 -0.21 0.09 0.02 -0.04 7.15 7.00 2z57A1 TYR 276 HE2 -0.20 -0.03 -0.06 -0.04 6.85 6.51 2z57A1 PRO 277 HA 0.01 0.15 0.46 -0.51 4.44 4.55 2z57A1 PRO 277 HB2 0.01 -0.01 0.02 -0.04 2.28 2.26 2z57A1 PRO 277 HB3 0.01 -0.01 0.11 -0.04 2.02 2.09 2z57A1 PRO 277 HG2 0.07 -0.00 0.09 -0.04 2.03 2.14 2z57A1 PRO 277 HG3 -0.00 0.08 0.12 -0.04 2.03 2.19 2z57A1 PRO 277 HD2 0.13 0.00 0.20 -0.04 3.68 3.98 2z57A1 PRO 277 HD3 0.05 0.20 0.25 -0.04 3.65 4.11 2z57A1 GLU 278 H 0.08 0.01 -0.32 -0.55 8.60 7.83 2z57A1 GLU 278 HA -0.25 0.12 0.46 -0.75 4.29 3.86 2z57A1 GLU 278 HB2 0.02 -0.06 -0.09 -0.04 2.09 1.92 2z57A1 GLU 278 HB3 -0.10 0.05 0.06 -0.04 1.99 1.96 2z57A1 GLU 278 HG2 -0.34 -0.00 -0.05 -0.04 2.34 1.91 2z57A1 GLU 278 HG3 -1.15 0.05 -0.01 -0.04 2.34 1.18 2z57A1 VAL 279 H 0.12 0.51 -0.47 -0.55 8.24 7.86 2z57A1 VAL 279 HA 0.14 0.21 0.87 -0.75 4.13 4.60 2z57A1 VAL 279 HB 0.14 0.19 -0.04 -0.04 2.12 2.37 2z57A1 VAL 279 HG13 0.10 -0.05 -0.49 -0.04 0.97 0.49 2z57A1 VAL 279 HG23 0.20 -0.07 -0.24 -0.04 0.95 0.80 2z57A1 ILE 280 H 0.13 0.73 0.32 -0.55 8.25 8.88 2z57A1 ILE 280 HA 0.20 0.12 0.73 -0.75 4.18 4.48 2z57A1 ILE 280 HB 0.12 -0.08 0.22 -0.04 1.89 2.11 2z57A1 ILE 280 HG12 0.18 0.02 -0.05 -0.04 1.49 1.60 2z57A1 ILE 280 HG13 0.15 0.05 -0.03 -0.04 1.21 1.33 2z57A1 ILE 280 HG23 0.17 -0.01 -0.17 -0.04 0.93 0.88 2z57A1 ILE 280 HD13 0.08 -0.01 -0.10 -0.04 0.88 0.81 2z57A1 ALA 281 H 0.17 0.26 0.23 -0.55 8.40 8.52 2z57A1 ALA 281 HA 0.08 0.19 0.74 -0.75 4.34 4.58 2z57A1 ALA 281 HB3 0.07 0.05 0.04 -0.04 1.41 1.52 2z57A1 VAL 282 H 0.08 0.33 0.30 -0.55 8.24 8.41 2z57A1 VAL 282 HA 0.11 0.39 1.05 -0.75 4.13 4.92 2z57A1 VAL 282 HB 0.09 -0.15 0.02 -0.04 2.12 2.04 2z57A1 VAL 282 HG13 0.09 0.03 -0.40 -0.04 0.97 0.65 2z57A1 VAL 282 HG23 0.10 0.06 -0.21 -0.04 0.95 0.85 2z57A1 GLY 283 H 0.07 0.65 0.36 -0.55 8.43 8.97 2z57A1 GLY 283 HA2 0.04 -0.01 0.82 -0.51 4.01 4.35 2z57A1 GLY 283 HA3 -0.00 0.23 0.34 -0.51 4.01 4.07 2z57A1 ALA 284 H -0.03 0.17 0.21 -0.55 8.40 8.21 2z57A1 ALA 284 HA 0.05 0.41 0.99 -0.75 4.34 5.04 2z57A1 ALA 284 HB3 0.10 -0.05 -0.03 -0.04 1.41 1.40 2z57A1 ILE 285 H 0.07 0.61 0.20 -0.55 8.25 8.58 2z57A1 ILE 285 HA 0.01 0.19 0.95 -0.75 4.18 4.57 2z57A1 ILE 285 HB 0.16 0.02 -0.13 -0.04 1.89 1.90 2z57A1 ILE 285 HG12 0.12 -0.02 -0.36 -0.04 1.49 1.18 2z57A1 ILE 285 HG13 0.25 -0.19 -0.29 -0.04 1.21 0.94 2z57A1 ILE 285 HG23 0.20 0.00 -0.32 -0.04 0.93 0.78 2z57A1 ILE 285 HD13 0.22 0.05 -0.14 -0.04 0.88 0.97 2z57A1 ASP 286 H 0.05 0.74 0.17 -0.55 8.40 8.81 2z57A1 ASP 286 HA 0.23 0.16 0.98 -0.75 4.63 5.25 2z57A1 ASP 286 HB2 -0.03 -0.06 0.17 -0.04 2.71 2.75 2z57A1 ASP 286 HB3 0.01 0.03 -0.01 -0.04 2.70 2.69 2z57A1 SER 287 H -0.35 0.18 0.14 -0.55 8.46 7.89 2z57A1 SER 287 HA -1.55 0.16 0.33 -0.75 4.49 2.68 2z57A1 SER 287 HB2 -1.18 0.07 0.16 -0.04 3.95 2.96 2z57A1 SER 287 HB3 -1.97 0.05 0.13 -0.04 3.93 2.10 2z57A1 ASN 288 H -0.19 -0.06 -0.41 -0.55 8.53 7.32 2z57A1 ASN 288 HA -0.14 0.26 0.77 -0.75 4.76 4.89 2z57A1 ASN 288 HB2 -0.08 -0.11 -0.01 -0.04 2.88 2.64 2z57A1 ASN 288 HB3 -0.07 0.08 0.09 -0.04 2.79 2.86 2z57A1 ASN 288 HD21 -0.08 0.03 -0.03 -0.04 7.03 6.91 2z57A1 ASN 288 HD22 -0.07 -0.02 -0.02 -0.04 7.74 7.58 2z57A1 ASP 289 H -0.07 0.43 -0.23 -0.55 8.40 7.98 2z57A1 ASP 289 HA 0.07 0.07 0.22 -0.75 4.63 4.24 2z57A1 ASP 289 HB2 -0.02 0.23 -0.20 -0.04 2.71 2.68 2z57A1 ASP 289 HB3 -0.02 -0.03 0.20 -0.04 2.70 2.80 2z57A1 ASN 290 H -0.00 -0.12 -0.40 -0.55 8.53 7.47 2z57A1 ASN 290 HA 0.10 0.20 0.77 -0.75 4.76 5.07 2z57A1 ASN 290 HB2 -0.03 -0.17 -0.03 -0.04 2.88 2.61 2z57A1 ASN 290 HB3 -0.04 0.15 -0.04 -0.04 2.79 2.82 2z57A1 ASN 290 HD21 -0.03 0.07 -0.05 -0.04 7.03 6.97 2z57A1 ASN 290 HD22 -0.04 -0.10 -0.05 -0.04 7.74 7.51 2z57A1 ILE 291 H -0.13 0.16 0.06 -0.55 8.25 7.79 2z57A1 ILE 291 HA -0.18 0.11 0.64 -0.75 4.18 4.00 2z57A1 ILE 291 HB -0.78 -0.03 -0.01 -0.04 1.89 1.02 2z57A1 ILE 291 HG12 -0.36 0.09 -0.05 -0.04 1.49 1.14 2z57A1 ILE 291 HG13 -0.27 0.04 0.07 -0.04 1.21 1.00 2z57A1 ILE 291 HG23 -0.27 0.00 -0.13 -0.04 0.93 0.50 2z57A1 ILE 291 HD13 -0.31 -0.05 -0.28 -0.04 0.88 0.20 2z57A1 ALA 292 H -0.26 0.70 0.30 -0.55 8.40 8.59 2z57A1 ALA 292 HA -0.29 0.02 0.48 -0.75 4.34 3.80 2z57A1 ALA 292 HB3 -0.98 -0.03 0.00 -0.04 1.41 0.36 2z57A1 SER 293 H -0.20 0.11 0.14 -0.55 8.46 7.96 2z57A1 SER 293 HA -0.13 0.17 0.34 -0.75 4.49 4.12 2z57A1 SER 293 HB2 -0.03 0.07 0.05 -0.04 3.95 4.00 2z57A1 SER 293 HB3 -0.06 0.02 0.11 -0.04 3.93 3.97 2z57A1 PHE 294 H -0.38 -0.05 -0.32 -0.55 8.34 7.03 2z57A1 PHE 294 HA -0.01 0.18 0.26 -0.75 4.62 4.30 2z57A1 PHE 294 HB2 0.00 0.15 0.06 -0.04 3.15 3.32 2z57A1 PHE 294 HB3 0.00 0.01 0.02 -0.04 3.06 3.06 2z57A1 PHE 294 HD2 0.01 0.03 -0.19 -0.04 7.28 7.08 2z57A1 PHE 294 HE2 0.03 -0.05 -0.06 -0.04 7.38 7.25 2z57A1 PHE 294 HZ 0.05 0.13 0.01 -0.04 7.32 7.46 2z57A1 SER 295 H -0.37 0.43 -0.45 -0.55 8.46 7.52 2z57A1 SER 295 HA 0.14 -0.02 0.39 -0.75 4.49 4.26 2z57A1 SER 295 HB2 -0.30 -0.16 0.21 -0.04 3.95 3.65 2z57A1 SER 295 HB3 -0.20 0.22 0.15 -0.04 3.93 4.06 2z57A1 ASN 296 H 0.07 0.42 0.21 -0.55 8.53 8.68 2z57A1 ASN 296 HA 0.00 0.02 0.43 -0.75 4.76 4.45 2z57A1 ASN 296 HB2 0.01 -0.09 -0.34 -0.04 2.88 2.42 2z57A1 ASN 296 HB3 -0.01 0.28 -0.36 -0.04 2.79 2.67 2z57A1 ASN 296 HD21 0.01 -0.18 0.04 -0.04 7.03 6.86 2z57A1 ASN 296 HD22 -0.01 0.29 0.18 -0.04 7.74 8.16 2z57A1 ARG 297 H -0.02 0.63 0.03 -0.55 8.46 8.55 2z57A1 ARG 297 HA -0.07 0.17 0.28 -0.75 4.34 3.96 2z57A1 ARG 297 HB2 -0.03 0.03 0.11 -0.04 1.90 1.98 2z57A1 ARG 297 HB3 -0.03 -0.05 0.06 -0.04 1.80 1.74 2z57A1 ARG 297 HG2 -0.06 -0.06 -0.06 -0.04 1.67 1.45 2z57A1 ARG 297 HG3 -0.10 -0.09 -0.10 -0.04 1.67 1.33 2z57A1 ARG 297 HD2 -0.12 0.05 -0.17 -0.04 3.22 2.94 2z57A1 ARG 297 HD3 -0.07 0.12 -0.08 -0.04 3.22 3.16 2z57A1 GLN 298 H -0.06 0.43 0.30 -0.55 8.47 8.60 2z57A1 GLN 298 HA 0.22 -0.03 0.33 -0.75 4.36 4.13 2z57A1 GLN 298 HB2 0.10 0.10 0.20 -0.04 2.15 2.50 2z57A1 GLN 298 HB3 0.32 -0.05 0.20 -0.04 2.02 2.45 2z57A1 GLN 298 HG2 0.30 -0.11 0.09 -0.04 2.40 2.63 2z57A1 GLN 298 HG3 0.09 0.16 -0.08 -0.04 2.39 2.51 2z57A1 GLN 298 HE21 0.02 -0.13 -0.01 -0.04 6.97 6.80 2z57A1 GLN 298 HE22 0.03 0.55 0.08 -0.04 7.69 8.31 2z57A1 PRO 299 HA 0.15 0.07 0.46 -0.51 4.44 4.61 2z57A1 PRO 299 HB2 0.11 0.15 -0.02 -0.04 2.28 2.49 2z57A1 PRO 299 HB3 0.06 -0.06 -0.20 -0.04 2.02 1.78 2z57A1 PRO 299 HG2 -0.02 -0.04 -0.63 -0.04 2.03 1.30 2z57A1 PRO 299 HG3 -0.04 0.03 -0.17 -0.04 2.03 1.81 2z57A1 PRO 299 HD2 -0.15 -0.00 -0.15 -0.04 3.68 3.34 2z57A1 PRO 299 HD3 -0.04 0.19 -0.14 -0.04 3.65 3.61 2z57A1 GLU 300 H 0.26 0.49 0.30 -0.55 8.60 9.11 2z57A1 GLU 300 HA 0.74 0.14 0.84 -0.75 4.29 5.25 2z57A1 GLU 300 HB2 0.50 0.00 0.20 -0.04 2.09 2.75 2z57A1 GLU 300 HB3 0.32 0.02 0.25 -0.04 1.99 2.54 2z57A1 GLU 300 HG2 0.40 -0.01 -0.13 -0.04 2.34 2.57 2z57A1 GLU 300 HG3 0.25 0.04 0.11 -0.04 2.34 2.70 2z57A1 VAL 301 H 0.21 0.40 0.32 -0.55 8.24 8.62 2z57A1 VAL 301 HA 0.20 0.14 0.81 -0.75 4.13 4.52 2z57A1 VAL 301 HB 0.14 0.12 0.21 -0.04 2.12 2.55 2z57A1 VAL 301 HG13 0.26 -0.01 -0.19 -0.04 0.97 0.99 2z57A1 VAL 301 HG23 0.14 -0.05 -0.14 -0.04 0.95 0.87 2z57A1 SER 302 H 0.11 0.74 0.31 -0.55 8.46 9.08 2z57A1 SER 302 HA 0.07 0.14 0.84 -0.75 4.49 4.79 2z57A1 SER 302 HB2 0.09 -0.15 -0.20 -0.04 3.95 3.65 2z57A1 SER 302 HB3 0.04 0.01 -0.17 -0.04 3.93 3.77 2z57A1 ALA 303 H 0.05 0.42 0.27 -0.55 8.40 8.59 2z57A1 ALA 303 HA -0.02 0.12 0.62 -0.75 4.34 4.30 2z57A1 ALA 303 HB3 -0.01 0.03 -0.05 -0.04 1.41 1.34 2z57A1 PRO 304 HA 0.01 0.07 0.49 -0.51 4.44 4.50 2z57A1 PRO 304 HB2 -1.20 0.02 0.12 -0.04 2.28 1.18 2z57A1 PRO 304 HB3 -1.73 -0.01 0.06 -0.04 2.02 0.29 2z57A1 PRO 304 HG2 -0.68 0.17 0.21 -0.04 2.03 1.68 2z57A1 PRO 304 HG3 -0.31 0.06 0.06 -0.04 2.03 1.80 2z57A1 PRO 304 HD2 -0.74 0.14 0.22 -0.04 3.68 3.27 2z57A1 PRO 304 HD3 -0.20 0.18 0.21 -0.04 3.65 3.80 2z57A1 GLY 305 H 0.17 0.60 0.38 -0.55 8.43 9.04 2z57A1 GLY 305 HA2 0.13 0.16 0.65 -0.51 4.01 4.44 2z57A1 GLY 305 HA3 0.17 -0.03 0.36 -0.51 4.01 3.99 2z57A1 VAL 306 H 0.39 0.29 0.18 -0.55 8.24 8.55 2z57A1 VAL 306 HA 0.26 0.07 0.89 -0.75 4.13 4.60 2z57A1 VAL 306 HB 0.22 -0.08 0.12 -0.04 2.12 2.34 2z57A1 VAL 306 HG13 0.17 0.02 0.01 -0.04 0.97 1.12 2z57A1 VAL 306 HG23 0.18 0.03 -0.26 -0.04 0.95 0.86 2z57A1 ASP 307 H 0.19 0.12 -0.01 -0.55 8.40 8.16 2z57A1 ASP 307 HA 0.17 0.03 0.21 -0.75 4.63 4.29 2z57A1 ASP 307 HB2 0.35 0.12 0.15 -0.04 2.71 3.29 2z57A1 ASP 307 HB3 0.21 0.03 0.17 -0.04 2.70 3.06 2z57A1 ILE 308 H 0.18 0.59 0.00 -0.55 8.25 8.47 2z57A1 ILE 308 HA 0.05 0.08 0.72 -0.75 4.18 4.28 2z57A1 ILE 308 HB 0.22 -0.01 0.05 -0.04 1.89 2.11 2z57A1 ILE 308 HG12 0.17 -0.14 -0.47 -0.04 1.49 1.01 2z57A1 ILE 308 HG13 0.12 0.11 -0.30 -0.04 1.21 1.11 2z57A1 ILE 308 HG23 0.08 0.02 -0.22 -0.04 0.93 0.78 2z57A1 ILE 308 HD13 -0.21 -0.01 -0.34 -0.04 0.88 0.27 2z57A1 LEU 309 H 0.09 0.13 0.17 -0.55 8.37 8.21 2z57A1 LEU 309 HA 0.15 0.19 0.66 -0.75 4.35 4.60 2z57A1 LEU 309 HB2 0.10 -0.03 0.02 -0.04 1.64 1.69 2z57A1 LEU 309 HB3 0.06 -0.06 0.14 -0.04 1.64 1.75 2z57A1 LEU 309 HG 0.06 0.05 -0.31 -0.04 1.64 1.40 2z57A1 LEU 309 HD13 0.10 0.01 -0.18 -0.04 0.93 0.82 2z57A1 LEU 309 HD23 0.01 0.01 -0.10 -0.04 0.89 0.76 2z57A1 SER 310 H 0.05 0.59 0.36 -0.55 8.46 8.91 2z57A1 SER 310 HA -0.09 0.12 0.51 -0.75 4.49 4.28 2z57A1 SER 310 HB2 -0.53 0.03 -0.28 -0.04 3.95 3.13 2z57A1 SER 310 HB3 -1.56 -0.01 -0.01 -0.04 3.93 2.30 2z57A1 THR 311 H -0.13 0.09 0.11 -0.55 8.28 7.81 2z57A1 THR 311 HA -0.23 0.25 0.62 -0.75 4.39 4.27 2z57A1 THR 311 HB -0.67 -0.07 -0.05 -0.04 4.32 3.49 2z57A1 THR 311 HG23 -0.32 0.02 -0.03 -0.04 1.22 0.85 2z57A1 TYR 312 H -0.02 0.68 0.03 -0.55 8.29 8.43 2z57A1 TYR 312 HA 0.01 0.04 0.45 -0.75 4.56 4.31 2z57A1 TYR 312 HB2 0.09 0.01 -0.58 -0.04 3.06 2.55 2z57A1 TYR 312 HB3 0.02 0.02 -0.44 -0.04 2.98 2.54 2z57A1 TYR 312 HD2 0.09 0.12 -0.09 -0.04 7.15 7.23 2z57A1 TYR 312 HE2 0.02 -0.05 -0.16 -0.04 6.85 6.62 2z57A1 PRO 313 HA -0.07 -0.16 0.56 -0.51 4.44 4.27 2z57A1 PRO 313 HB2 -0.17 0.14 -0.11 -0.04 2.28 2.10 2z57A1 PRO 313 HB3 -0.13 0.00 0.09 -0.04 2.02 1.94 2z57A1 PRO 313 HG2 -0.30 0.04 -0.15 -0.04 2.03 1.58 2z57A1 PRO 313 HG3 -0.19 -0.11 0.00 -0.04 2.03 1.69 2z57A1 PRO 313 HD2 -1.27 0.21 0.12 -0.04 3.68 2.70 2z57A1 PRO 313 HD3 -0.56 0.09 0.18 -0.04 3.65 3.32 2z57A1 ASP 314 H -0.03 0.21 0.06 -0.55 8.40 8.10 2z57A1 ASP 314 HA -0.09 -0.12 0.46 -0.75 4.63 4.13 2z57A1 ASP 314 HB2 -0.07 0.02 0.07 -0.04 2.71 2.70 2z57A1 ASP 314 HB3 -0.06 0.10 0.13 -0.04 2.70 2.82 2z57A1 ASP 315 H -0.14 0.01 0.13 -0.55 8.40 7.85 2z57A1 ASP 315 HA -1.13 -0.07 0.37 -0.75 4.63 3.04 2z57A1 ASP 315 HB2 -0.19 0.19 0.03 -0.04 2.71 2.70 2z57A1 ASP 315 HB3 -0.34 0.04 0.24 -0.04 2.70 2.59 2z57A1 SER 316 H -0.11 0.37 -0.16 -0.55 8.46 8.01 2z57A1 SER 316 HA -0.15 0.20 0.79 -0.75 4.49 4.57 2z57A1 SER 316 HB2 -0.01 0.09 -0.26 -0.04 3.95 3.73 2z57A1 SER 316 HB3 0.06 0.07 -0.27 -0.04 3.93 3.75 2z57A1 TYR 317 H 0.14 0.32 0.16 -0.55 8.29 8.36 2z57A1 TYR 317 HA 0.14 0.19 0.82 -0.75 4.56 4.96 2z57A1 TYR 317 HB2 0.06 -0.03 -0.09 -0.04 3.06 2.96 2z57A1 TYR 317 HB3 0.05 0.04 -0.07 -0.04 2.98 2.96 2z57A1 TYR 317 HD2 0.05 -0.01 -0.28 -0.04 7.15 6.87 2z57A1 TYR 317 HE2 0.06 0.00 -0.06 -0.04 6.85 6.80 2z57A1 GLU 318 H 0.19 0.64 0.26 -0.55 8.60 9.14 2z57A1 GLU 318 HA -0.01 0.10 0.64 -0.75 4.29 4.26 2z57A1 GLU 318 HB2 -0.50 0.07 -0.31 -0.04 2.09 1.31 2z57A1 GLU 318 HB3 -0.54 -0.01 -0.17 -0.04 1.99 1.23 2z57A1 GLU 318 HG2 -0.86 -0.02 -0.07 -0.04 2.34 1.34 2z57A1 GLU 318 HG3 -0.35 0.06 -0.18 -0.04 2.34 1.83 2z57A1 THR 319 H -0.03 0.21 0.13 -0.55 8.28 8.04 2z57A1 THR 319 HA 0.17 0.36 0.75 -0.75 4.39 4.92 2z57A1 THR 319 HB 0.04 0.00 0.07 -0.04 4.32 4.39 2z57A1 THR 319 HG23 0.11 -0.02 -0.35 -0.04 1.22 0.92 2z57A1 LEU 320 H 0.07 0.62 0.23 -0.55 8.37 8.74 2z57A1 LEU 320 HA -0.08 0.18 0.89 -0.75 4.35 4.59 2z57A1 LEU 320 HB2 -0.49 0.02 -0.09 -0.04 1.64 1.05 2z57A1 LEU 320 HB3 -0.19 0.01 0.07 -0.04 1.64 1.49 2z57A1 LEU 320 HG -0.50 -0.04 -0.54 -0.04 1.64 0.53 2z57A1 LEU 320 HD13 -0.52 -0.00 -0.14 -0.04 0.93 0.23 2z57A1 LEU 320 HD23 -0.18 0.05 -0.04 -0.04 0.89 0.68 2z57A1 MET 321 H -0.04 0.27 0.23 -0.55 8.47 8.38 2z57A1 MET 321 HA 0.13 0.22 0.75 -0.75 4.52 4.86 2z57A1 MET 321 HB2 0.27 0.10 0.28 -0.04 2.15 2.75 2z57A1 MET 321 HB3 0.12 -0.16 0.06 -0.04 2.03 2.01 2z57A1 MET 321 HG2 -0.04 -0.00 0.09 -0.04 2.63 2.64 2z57A1 MET 321 HG3 -0.23 0.02 -0.17 -0.04 2.56 2.13 2z57A1 MET 321 HE3 -0.02 0.01 0.00 -0.04 2.10 2.05 2z57A1 GLY 322 H 0.24 0.80 0.35 -0.55 8.43 9.28 2z57A1 GLY 322 HA2 -0.42 0.05 0.38 -0.51 4.01 3.51 2z57A1 GLY 322 HA3 -0.08 0.13 0.73 -0.51 4.01 4.29 2z57A1 THR 323 H 0.15 0.21 0.12 -0.55 8.28 8.20 2z57A1 THR 323 HA 0.18 0.16 0.52 -0.75 4.39 4.50 2z57A1 THR 323 HB 0.11 0.15 0.30 -0.04 4.32 4.84 2z57A1 THR 323 HG23 0.21 0.03 0.16 -0.04 1.22 1.58 2z57A1 ALA 324 H 0.10 0.04 -0.27 -0.55 8.40 7.72 2z57A1 ALA 324 HA 0.10 0.03 0.43 -0.75 4.34 4.14 2z57A1 ALA 324 HB3 0.15 0.03 0.01 -0.04 1.41 1.56 2z57A1 MET 325 H 0.09 0.19 -0.43 -0.55 8.47 7.78 2z57A1 MET 325 HA 0.09 0.13 0.63 -0.75 4.52 4.61 2z57A1 MET 325 HB2 0.13 0.06 0.04 -0.04 2.15 2.34 2z57A1 MET 325 HB3 0.16 0.07 -0.09 -0.04 2.03 2.12 2z57A1 MET 325 HG2 0.11 0.07 -0.30 -0.04 2.63 2.47 2z57A1 MET 325 HG3 0.20 0.05 -0.17 -0.04 2.56 2.60 2z57A1 MET 325 HE3 -0.19 0.03 -0.30 -0.04 2.10 1.59 2z57A1 ALA 326 H 0.13 0.11 -0.16 -0.55 8.40 7.94 2z57A1 ALA 326 HA 0.13 0.28 0.35 -0.75 4.34 4.35 2z57A1 ALA 326 HB3 0.09 -0.01 -0.12 -0.04 1.41 1.33 2z57A1 THR 327 H 0.10 0.37 -0.22 -0.55 8.28 7.99 2z57A1 THR 327 HA 0.09 0.03 0.18 -0.75 4.39 3.94 2z57A1 THR 327 HB 0.07 0.11 -0.03 -0.04 4.32 4.43 2z57A1 THR 327 HG23 0.06 -0.02 -0.44 -0.04 1.22 0.79 2z57A1 PRO 328 HA 0.01 -0.01 0.40 -0.51 4.44 4.33 2z57A1 PRO 328 HB2 -0.12 0.02 -0.11 -0.04 2.28 2.03 2z57A1 PRO 328 HB3 -0.03 -0.00 0.04 -0.04 2.02 1.99 2z57A1 PRO 328 HG2 -0.06 0.23 -0.04 -0.04 2.03 2.12 2z57A1 PRO 328 HG3 -0.02 -0.04 0.09 -0.04 2.03 2.02 2z57A1 PRO 328 HD2 0.08 -0.04 -0.54 -0.04 3.68 3.14 2z57A1 PRO 328 HD3 0.03 0.05 0.01 -0.04 3.65 3.70 2z57A1 HIS 329 H 0.12 0.37 -0.41 -0.55 8.41 7.95 2z57A1 HIS 329 HA -0.01 0.06 0.47 -0.75 4.63 4.40 2z57A1 HIS 329 HB2 -0.01 0.22 0.14 -0.04 3.26 3.57 2z57A1 HIS 329 HB3 -0.02 -0.02 0.02 -0.04 3.20 3.13 2z57A1 HIS 329 HD2 -0.10 0.05 -0.15 -0.04 6.97 6.72 2z57A1 HIS 329 HE1 -0.16 -0.08 -0.06 -0.04 7.75 7.40 2z57A1 VAL 330 H 0.12 0.37 -0.21 -0.55 8.24 7.97 2z57A1 VAL 330 HA 0.08 0.04 0.38 -0.75 4.13 3.87 2z57A1 VAL 330 HB 0.08 0.10 0.05 -0.04 2.12 2.32 2z57A1 VAL 330 HG13 0.08 -0.00 -0.17 -0.04 0.97 0.84 2z57A1 VAL 330 HG23 0.09 0.02 -0.12 -0.04 0.95 0.91 2z57A1 SER 331 H 0.05 0.52 -0.03 -0.55 8.46 8.46 2z57A1 SER 331 HA 0.04 0.03 0.39 -0.75 4.49 4.20 2z57A1 SER 331 HB2 0.02 0.04 0.01 -0.04 3.95 3.97 2z57A1 SER 331 HB3 0.02 -0.01 -0.10 -0.04 3.93 3.80 2z57A1 GLY 332 H 0.02 0.62 -0.30 -0.55 8.43 8.22 2z57A1 GLY 332 HA2 0.02 0.02 0.47 -0.51 4.01 4.01 2z57A1 GLY 332 HA3 0.02 0.10 0.32 -0.51 4.01 3.94 2z57A1 VAL 333 H 0.05 0.47 -0.14 -0.55 8.24 8.07 2z57A1 VAL 333 HA 0.06 0.03 0.38 -0.75 4.13 3.84 2z57A1 VAL 333 HB 0.05 0.11 0.13 -0.04 2.12 2.36 2z57A1 VAL 333 HG13 0.03 -0.02 -0.19 -0.04 0.97 0.74 2z57A1 VAL 333 HG23 0.06 0.05 -0.02 -0.04 0.95 1.00 2z57A1 VAL 334 H 0.04 0.57 -0.17 -0.55 8.24 8.12 2z57A1 VAL 334 HA 0.01 0.00 0.42 -0.75 4.13 3.82 2z57A1 VAL 334 HB 0.02 0.12 0.11 -0.04 2.12 2.33 2z57A1 VAL 334 HG13 0.01 -0.02 -0.09 -0.04 0.97 0.83 2z57A1 VAL 334 HG23 0.03 0.05 -0.05 -0.04 0.95 0.93 2z57A1 ALA 335 H 0.02 0.55 -0.21 -0.55 8.40 8.22 2z57A1 ALA 335 HA 0.01 -0.02 0.35 -0.75 4.34 3.92 2z57A1 ALA 335 HB3 0.01 0.04 0.08 -0.04 1.41 1.49 2z57A1 LEU 336 H 0.05 0.57 -0.20 -0.55 8.37 8.25 2z57A1 LEU 336 HA 0.07 -0.06 0.37 -0.75 4.35 3.98 2z57A1 LEU 336 HB2 0.07 0.11 0.11 -0.04 1.64 1.89 2z57A1 LEU 336 HB3 0.09 -0.05 -0.05 -0.04 1.64 1.59 2z57A1 LEU 336 HG 0.11 0.14 -0.07 -0.04 1.64 1.78 2z57A1 LEU 336 HD13 0.16 0.04 -0.01 -0.04 0.93 1.08 2z57A1 LEU 336 HD23 0.18 0.01 -0.16 -0.04 0.89 0.87 2z57A1 ILE 337 H 0.04 0.58 -0.12 -0.55 8.25 8.20 2z57A1 ILE 337 HA 0.07 0.02 0.45 -0.75 4.18 3.96 2z57A1 ILE 337 HB 0.01 0.10 0.19 -0.04 1.89 2.16 2z57A1 ILE 337 HG12 0.02 -0.02 -0.18 -0.04 1.49 1.27 2z57A1 ILE 337 HG13 0.03 0.18 0.02 -0.04 1.21 1.39 2z57A1 ILE 337 HG23 -0.01 -0.02 -0.17 -0.04 0.93 0.69 2z57A1 ILE 337 HD13 -0.01 -0.03 -0.10 -0.04 0.88 0.69 2z57A1 GLN 338 H 0.04 0.69 -0.04 -0.55 8.47 8.61 2z57A1 GLN 338 HA 0.09 -0.02 0.41 -0.75 4.36 4.09 2z57A1 GLN 338 HB2 0.02 0.07 0.10 -0.04 2.15 2.30 2z57A1 GLN 338 HB3 0.04 -0.04 0.04 -0.04 2.02 2.02 2z57A1 GLN 338 HG2 -0.00 0.10 0.08 -0.04 2.40 2.54 2z57A1 GLN 338 HG3 -0.00 0.01 0.01 -0.04 2.39 2.37 2z57A1 GLN 338 HE21 -0.06 0.41 0.09 -0.04 6.97 7.37 2z57A1 GLN 338 HE22 -0.03 0.04 0.06 -0.04 7.69 7.72 2z57A1 ALA 339 H 0.06 0.66 -0.11 -0.55 8.40 8.47 2z57A1 ALA 339 HA 0.07 -0.00 0.46 -0.75 4.34 4.12 2z57A1 ALA 339 HB3 0.04 0.00 0.08 -0.04 1.41 1.50 2z57A1 ALA 340 H 0.10 0.66 -0.12 -0.55 8.40 8.49 2z57A1 ALA 340 HA 0.06 -0.01 0.35 -0.75 4.34 3.98 2z57A1 ALA 340 HB3 0.08 0.02 0.10 -0.04 1.41 1.57 2z57A1 TYR 341 H 0.25 0.48 -0.24 -0.55 8.29 8.23 2z57A1 TYR 341 HA 0.13 0.06 0.38 -0.75 4.56 4.38 2z57A1 TYR 341 HB2 0.10 0.12 0.10 -0.04 3.06 3.34 2z57A1 TYR 341 HB3 0.12 0.01 0.15 -0.04 2.98 3.21 2z57A1 TYR 341 HD2 0.14 0.12 -0.25 -0.04 7.15 7.12 2z57A1 TYR 341 HE2 -0.02 0.12 -0.12 -0.04 6.85 6.79 2z57A1 TYR 342 H 0.31 0.52 -0.08 -0.55 8.29 8.48 2z57A1 TYR 342 HA 0.10 0.05 0.54 -0.75 4.56 4.50 2z57A1 TYR 342 HB2 0.09 0.08 0.03 -0.04 3.06 3.22 2z57A1 TYR 342 HB3 0.05 -0.02 0.09 -0.04 2.98 3.06 2z57A1 TYR 342 HD2 0.04 -0.01 -0.34 -0.04 7.15 6.79 2z57A1 TYR 342 HE2 0.02 0.09 -0.07 -0.04 6.85 6.85 2z57A1 GLN 343 H 0.15 0.71 -0.03 -0.55 8.47 8.75 2z57A1 GLN 343 HA 0.05 -0.05 0.47 -0.75 4.36 4.09 2z57A1 GLN 343 HB2 0.06 -0.06 0.11 -0.04 2.15 2.23 2z57A1 GLN 343 HB3 0.01 0.14 0.14 -0.04 2.02 2.27 2z57A1 GLN 343 HG2 -0.04 0.03 -0.15 -0.04 2.40 2.20 2z57A1 GLN 343 HG3 0.00 -0.08 0.07 -0.04 2.39 2.34 2z57A1 GLN 343 HE21 0.02 0.40 0.01 -0.04 6.97 7.36 2z57A1 GLN 343 HE22 -0.00 -0.00 -0.03 -0.04 7.69 7.62 2z57A1 LYS 344 H -0.16 0.38 -0.37 -0.55 8.42 7.72 2z57A1 LYS 344 HA -0.28 0.03 0.51 -0.75 4.32 3.83 2z57A1 LYS 344 HB2 -0.34 0.01 0.11 -0.04 1.87 1.61 2z57A1 LYS 344 HB3 -0.87 0.08 0.15 -0.04 1.79 1.10 2z57A1 LYS 344 HG2 -1.08 -0.02 -0.06 -0.04 1.46 0.25 2z57A1 LYS 344 HG3 -0.41 -0.08 0.07 -0.04 1.46 1.01 2z57A1 LYS 344 HD2 -0.30 -0.05 0.05 -0.04 1.69 1.35 2z57A1 LYS 344 HD3 -0.81 0.07 0.04 -0.04 1.68 0.93 2z57A1 LYS 344 HE2 -0.25 -0.02 0.03 -0.04 2.99 2.71 2z57A1 LYS 344 HE3 -0.24 -0.10 0.04 -0.04 2.99 2.65 2z57A1 TYR 345 H -0.24 0.54 0.10 -0.55 8.29 8.14 2z57A1 TYR 345 HA -0.19 0.16 0.79 -0.75 4.56 4.56 2z57A1 TYR 345 HB2 -0.46 0.13 0.04 -0.04 3.06 2.74 2z57A1 TYR 345 HB3 -0.24 -0.09 0.05 -0.04 2.98 2.67 2z57A1 TYR 345 HD2 -0.93 0.01 0.01 -0.04 7.15 6.21 2z57A1 TYR 345 HE2 -0.26 0.04 -0.00 -0.04 6.85 6.59 2z57A1 GLY 346 H -0.34 0.61 0.15 -0.55 8.43 8.30 2z57A1 GLY 346 HA2 -1.14 0.03 0.38 -0.51 4.01 2.76 2z57A1 GLY 346 HA3 -0.33 -0.01 0.45 -0.51 4.01 3.61 2z57A1 LYS 347 H -0.06 0.19 -0.24 -0.55 8.42 7.76 2z57A1 LYS 347 HA 0.18 0.14 0.46 -0.75 4.32 4.35 2z57A1 LYS 347 HB2 0.11 -0.03 0.14 -0.04 1.87 2.05 2z57A1 LYS 347 HB3 0.05 0.06 -0.08 -0.04 1.79 1.78 2z57A1 LYS 347 HG2 0.10 -0.02 -0.22 -0.04 1.46 1.28 2z57A1 LYS 347 HG3 0.35 0.07 -0.33 -0.04 1.46 1.51 2z57A1 LYS 347 HD2 0.07 -0.02 -0.04 -0.04 1.69 1.66 2z57A1 LYS 347 HD3 0.02 -0.01 -0.06 -0.04 1.68 1.59 2z57A1 LYS 347 HE2 -0.13 0.04 -0.05 -0.04 2.99 2.81 2z57A1 LYS 347 HE3 0.06 0.02 -0.09 -0.04 2.99 2.94 2z57A1 ILE 348 H 0.17 0.15 0.11 -0.55 8.25 8.13 2z57A1 ILE 348 HA 0.28 0.18 0.88 -0.75 4.18 4.77 2z57A1 ILE 348 HB 0.04 -0.01 0.13 -0.04 1.89 2.01 2z57A1 ILE 348 HG12 0.08 -0.04 -0.03 -0.04 1.49 1.46 2z57A1 ILE 348 HG13 0.01 0.05 -0.25 -0.04 1.21 0.98 2z57A1 ILE 348 HG23 0.16 0.01 -0.12 -0.04 0.93 0.94 2z57A1 ILE 348 HD13 -0.00 0.01 -0.19 -0.04 0.88 0.66 2z57A1 LEU 349 H -0.18 0.08 0.08 -0.55 8.37 7.80 2z57A1 LEU 349 HA -0.29 0.19 0.75 -0.75 4.35 4.25 2z57A1 LEU 349 HB2 -0.28 -0.08 0.02 -0.04 1.64 1.26 2z57A1 LEU 349 HB3 -0.25 -0.01 -0.09 -0.04 1.64 1.25 2z57A1 LEU 349 HG -1.76 -0.00 -0.10 -0.04 1.64 -0.26 2z57A1 LEU 349 HD13 -0.32 -0.00 -0.18 -0.04 0.93 0.39 2z57A1 LEU 349 HD23 -0.40 0.01 -0.16 -0.04 0.89 0.30 2z57A1 PRO 350 HA -0.10 0.13 0.51 -0.51 4.44 4.47 2z57A1 PRO 350 HB2 -0.07 -0.14 -0.04 -0.04 2.28 1.99 2z57A1 PRO 350 HB3 -0.07 0.02 0.14 -0.04 2.02 2.06 2z57A1 PRO 350 HG2 -0.06 0.07 0.13 -0.04 2.03 2.13 2z57A1 PRO 350 HG3 -0.06 0.06 0.12 -0.04 2.03 2.11 2z57A1 PRO 350 HD2 -0.15 0.25 0.30 -0.04 3.68 4.04 2z57A1 PRO 350 HD3 -0.11 0.22 0.27 -0.04 3.65 3.98 2z57A1 VAL 351 H -0.15 0.17 0.17 -0.55 8.24 7.88 2z57A1 VAL 351 HA -0.05 0.09 0.39 -0.75 4.13 3.80 2z57A1 VAL 351 HB -0.21 -0.04 0.16 -0.04 2.12 1.99 2z57A1 VAL 351 HG13 0.17 0.01 -0.04 -0.04 0.97 1.08 2z57A1 VAL 351 HG23 -0.16 0.05 -0.19 -0.04 0.95 0.60 2z57A1 GLY 352 H 0.00 0.07 -0.03 -0.55 8.43 7.92 2z57A1 GLY 352 HA2 0.05 0.01 0.27 -0.51 4.01 3.83 2z57A1 GLY 352 HA3 0.01 -0.02 0.63 -0.51 4.01 4.12 2z57A1 THR 353 H 0.08 0.11 0.18 -0.55 8.28 8.10 2z57A1 THR 353 HA 0.17 0.34 0.86 -0.75 4.39 5.01 2z57A1 THR 353 HB 0.13 -0.00 0.10 -0.04 4.32 4.50 2z57A1 THR 353 HG23 0.12 0.02 -0.16 -0.04 1.22 1.15 2z57A1 PHE 354 H 0.28 0.22 0.17 -0.55 8.34 8.45 2z57A1 PHE 354 HA 0.22 0.15 0.43 -0.75 4.62 4.67 2z57A1 PHE 354 HB2 0.05 0.12 0.17 -0.04 3.15 3.45 2z57A1 PHE 354 HB3 0.00 -0.10 0.12 -0.04 3.06 3.04 2z57A1 PHE 354 HD2 -0.02 -0.04 -0.07 -0.04 7.28 7.11 2z57A1 PHE 354 HE2 -0.27 0.01 -0.04 -0.04 7.38 7.03 2z57A1 PHE 354 HZ -1.35 0.03 -0.04 -0.04 7.32 5.92 2z57A1 ASP 355 H 0.18 -0.02 -0.17 -0.55 8.40 7.84 2z57A1 ASP 355 HA -0.02 0.19 0.47 -0.75 4.63 4.53 2z57A1 ASP 355 HB2 0.09 -0.08 0.00 -0.04 2.71 2.68 2z57A1 ASP 355 HB3 0.05 0.01 -0.00 -0.04 2.70 2.71 2z57A1 ASP 356 H 0.11 0.22 -0.47 -0.55 8.40 7.70 2z57A1 ASP 356 HA 0.03 -0.07 0.25 -0.75 4.63 4.08 2z57A1 ASP 356 HB2 0.04 -0.16 0.15 -0.04 2.71 2.70 2z57A1 ASP 356 HB3 -0.05 0.09 0.02 -0.04 2.70 2.72 2z57A1 ILE 357 H 0.01 0.04 0.18 -0.55 8.25 7.93 2z57A1 ILE 357 HA -0.03 0.31 0.78 -0.75 4.18 4.48 2z57A1 ILE 357 HB 0.01 -0.00 0.22 -0.04 1.89 2.08 2z57A1 ILE 357 HG12 0.03 0.04 0.07 -0.04 1.49 1.58 2z57A1 ILE 357 HG13 0.02 -0.06 -0.01 -0.04 1.21 1.12 2z57A1 ILE 357 HG23 0.03 0.06 -0.13 -0.04 0.93 0.84 2z57A1 ILE 357 HD13 0.04 -0.01 0.02 -0.04 0.88 0.90 2z57A1 SER 358 H -0.03 -0.07 0.04 -0.55 8.46 7.86 2z57A1 SER 358 HA -0.02 0.30 0.92 -0.75 4.49 4.94 2z57A1 SER 358 HB2 -0.02 0.04 0.15 -0.04 3.95 4.09 2z57A1 SER 358 HB3 -0.01 0.05 0.07 -0.04 3.93 3.99 2z57A1 LYS 359 H -0.02 0.18 0.09 -0.55 8.42 8.12 2z57A1 LYS 359 HA -0.04 0.18 0.60 -0.75 4.32 4.31 2z57A1 LYS 359 HB2 -0.00 -0.06 0.09 -0.04 1.87 1.86 2z57A1 LYS 359 HB3 0.01 0.22 0.13 -0.04 1.79 2.10 2z57A1 LYS 359 HG2 -0.01 0.03 -0.01 -0.04 1.46 1.42 2z57A1 LYS 359 HG3 -0.01 -0.04 -0.15 -0.04 1.46 1.22 2z57A1 LYS 359 HD2 0.01 -0.04 0.02 -0.04 1.69 1.64 2z57A1 LYS 359 HD3 0.01 0.09 0.07 -0.04 1.68 1.81 2z57A1 LYS 359 HE2 -0.00 0.03 -0.06 -0.04 2.99 2.92 2z57A1 LYS 359 HE3 0.00 -0.03 -0.03 -0.04 2.99 2.89 2z57A1 ASN 360 H -0.04 -0.10 -0.45 -0.55 8.53 7.40 2z57A1 ASN 360 HA -0.05 0.36 0.62 -0.75 4.76 4.92 2z57A1 ASN 360 HB2 -0.03 -0.11 -0.00 -0.04 2.88 2.70 2z57A1 ASN 360 HB3 -0.04 0.05 0.10 -0.04 2.79 2.86 2z57A1 ASN 360 HD21 -0.01 0.04 -0.02 -0.04 7.03 7.00 2z57A1 ASN 360 HD22 -0.01 -0.06 -0.00 -0.04 7.74 7.62 2z57A1 THR 361 H -0.09 0.12 -0.20 -0.55 8.28 7.56 2z57A1 THR 361 HA -0.12 0.35 0.66 -0.75 4.39 4.53 2z57A1 THR 361 HB -0.06 0.14 -0.43 -0.04 4.32 3.93 2z57A1 THR 361 HG23 -0.04 -0.01 -0.24 -0.04 1.22 0.89 2z57A1 VAL 362 H -0.11 0.77 0.09 -0.55 8.24 8.44 2z57A1 VAL 362 HA -0.10 0.07 0.44 -0.75 4.13 3.78 2z57A1 VAL 362 HB -0.05 0.10 0.19 -0.04 2.12 2.31 2z57A1 VAL 362 HG13 -0.04 -0.02 -0.12 -0.04 0.97 0.75 2z57A1 VAL 362 HG23 -0.08 0.05 -0.02 -0.04 0.95 0.85 2z57A1 ARG 363 H -0.10 0.57 0.03 -0.55 8.46 8.41 2z57A1 ARG 363 HA -0.26 0.05 0.34 -0.75 4.34 3.71 2z57A1 ARG 363 HB2 -0.06 -0.12 0.03 -0.04 1.90 1.70 2z57A1 ARG 363 HB3 -0.20 0.10 -0.11 -0.04 1.80 1.55 2z57A1 ARG 363 HG2 0.06 -0.04 -0.10 -0.04 1.67 1.55 2z57A1 ARG 363 HG3 0.01 -0.01 -0.04 -0.04 1.67 1.59 2z57A1 ARG 363 HD2 0.15 0.00 -0.20 -0.04 3.22 3.13 2z57A1 ARG 363 HD3 0.13 -0.03 -0.64 -0.04 3.22 2.63 2z57A1 GLY 364 H -0.20 -0.06 -0.32 -0.55 8.43 7.30 2z57A1 GLY 364 HA2 -0.27 0.30 0.26 -0.51 4.01 3.79 2z57A1 GLY 364 HA3 -0.14 -0.11 0.19 -0.51 4.01 3.44 2z57A1 ILE 365 H -0.15 0.55 -0.17 -0.55 8.25 7.92 2z57A1 ILE 365 HA -0.08 0.01 0.38 -0.75 4.18 3.74 2z57A1 ILE 365 HB -0.09 0.11 0.12 -0.04 1.89 1.99 2z57A1 ILE 365 HG12 -0.03 -0.04 -0.07 -0.04 1.49 1.31 2z57A1 ILE 365 HG13 -0.07 -0.13 -0.06 -0.04 1.21 0.90 2z57A1 ILE 365 HG23 -0.03 -0.00 -0.10 -0.04 0.93 0.76 2z57A1 ILE 365 HD13 -0.06 0.05 -0.18 -0.04 0.88 0.65 2z57A1 LEU 366 H -0.20 0.55 -0.15 -0.55 8.37 8.03 2z57A1 LEU 366 HA -0.04 -0.05 0.35 -0.75 4.35 3.86 2z57A1 LEU 366 HB2 -0.20 0.12 0.10 -0.04 1.64 1.62 2z57A1 LEU 366 HB3 0.01 -0.07 -0.05 -0.04 1.64 1.49 2z57A1 LEU 366 HG -0.06 0.18 -0.02 -0.04 1.64 1.70 2z57A1 LEU 366 HD13 0.01 -0.03 -0.11 -0.04 0.93 0.76 2z57A1 LEU 366 HD23 0.01 -0.03 -0.09 -0.04 0.89 0.73 2z57A1 HIS 367 H -0.43 0.52 -0.27 -0.55 8.41 7.69 2z57A1 HIS 367 HA -0.27 -0.01 0.31 -0.75 4.63 3.90 2z57A1 HIS 367 HB2 -0.47 0.10 0.21 -0.04 3.26 3.06 2z57A1 HIS 367 HB3 -1.42 -0.09 0.06 -0.04 3.20 1.70 2z57A1 HIS 367 HD2 -0.23 -0.12 -0.12 -0.04 6.97 6.46 2z57A1 HIS 367 HE1 -0.14 -0.04 0.02 -0.04 7.75 7.55 2z57A1 ILE 368 H -0.08 0.51 -0.05 -0.55 8.25 8.08 2z57A1 ILE 368 HA 0.01 0.06 0.40 -0.75 4.18 3.89 2z57A1 ILE 368 HB -0.00 -0.08 0.06 -0.04 1.89 1.82 2z57A1 ILE 368 HG12 -0.05 0.15 0.04 -0.04 1.49 1.59 2z57A1 ILE 368 HG13 -0.02 -0.02 -0.26 -0.04 1.21 0.87 2z57A1 ILE 368 HG23 -0.03 0.09 -0.04 -0.04 0.93 0.90 2z57A1 ILE 368 HD13 -0.02 -0.04 -0.31 -0.04 0.88 0.47 2z57A1 THR 369 H -0.02 0.39 -0.31 -0.55 8.28 7.79 2z57A1 THR 369 HA 0.00 0.14 0.78 -0.75 4.39 4.56 2z57A1 THR 369 HB -0.00 -0.19 -0.01 -0.04 4.32 4.08 2z57A1 THR 369 HG23 -0.01 0.01 -0.21 -0.04 1.22 0.97 2z57A1 ALA 370 H 0.03 0.27 -0.36 -0.55 8.40 7.80 2z57A1 ALA 370 HA 0.03 0.00 0.40 -0.75 4.34 4.02 2z57A1 ALA 370 HB3 0.09 0.03 -0.36 -0.04 1.41 1.13 2z57A1 ASP 371 H 0.01 0.66 0.23 -0.55 8.40 8.76 2z57A1 ASP 371 HA -0.01 0.08 0.62 -0.75 4.63 4.56 2z57A1 ASP 371 HB2 -0.01 0.08 0.14 -0.04 2.71 2.88 2z57A1 ASP 371 HB3 -0.03 -0.16 0.23 -0.04 2.70 2.69 2z57A1 ASP 372 H -0.02 0.19 0.13 -0.55 8.40 8.16 2z57A1 ASP 372 HA -0.05 0.19 0.52 -0.75 4.63 4.54 2z57A1 ASP 372 HB2 0.02 0.12 0.12 -0.04 2.71 2.94 2z57A1 ASP 372 HB3 -0.01 -0.12 0.21 -0.04 2.70 2.73 2z57A1 LEU 373 H -0.28 0.17 0.20 -0.55 8.37 7.92 2z57A1 LEU 373 HA -0.26 0.11 0.61 -0.75 4.35 4.06 2z57A1 LEU 373 HB2 -1.56 -0.05 0.02 -0.04 1.64 0.00 2z57A1 LEU 373 HB3 -0.79 -0.10 0.13 -0.04 1.64 0.84 2z57A1 LEU 373 HG -0.29 0.14 -0.02 -0.04 1.64 1.43 2z57A1 LEU 373 HD13 -0.26 -0.00 0.00 -0.04 0.93 0.63 2z57A1 LEU 373 HD23 -0.15 0.00 -0.13 -0.04 0.89 0.56 2z57A1 GLY 374 H -0.25 0.01 0.10 -0.55 8.43 7.74 2z57A1 GLY 374 HA2 0.04 -0.08 0.29 -0.51 4.01 3.75 2z57A1 GLY 374 HA3 0.13 -0.00 0.34 -0.51 4.01 3.97 2z57A1 PRO 375 HA -0.01 -0.09 0.44 -0.51 4.44 4.27 2z57A1 PRO 375 HB2 -0.01 0.18 -0.07 -0.04 2.28 2.35 2z57A1 PRO 375 HB3 0.00 -0.02 0.07 -0.04 2.02 2.03 2z57A1 PRO 375 HG2 -0.01 -0.03 0.08 -0.04 2.03 2.02 2z57A1 PRO 375 HG3 -0.00 -0.01 0.09 -0.04 2.03 2.06 2z57A1 PRO 375 HD2 0.03 0.04 0.20 -0.04 3.68 3.91 2z57A1 PRO 375 HD3 0.02 0.03 0.15 -0.04 3.65 3.81 2z57A1 THR 376 H -0.00 -0.06 0.13 -0.55 8.28 7.80 2z57A1 THR 376 HA -0.00 0.08 0.43 -0.75 4.39 4.14 2z57A1 THR 376 HB 0.01 -0.07 0.09 -0.04 4.32 4.31 2z57A1 THR 376 HG23 0.02 -0.00 -0.04 -0.04 1.22 1.15 2z57A1 GLY 377 H 0.03 0.06 0.13 -0.55 8.43 8.10 2z57A1 GLY 377 HA2 0.09 -0.03 0.32 -0.51 4.01 3.88 2z57A1 GLY 377 HA3 0.08 0.03 0.33 -0.51 4.01 3.94 2z57A1 TRP 378 H 0.16 0.00 0.10 -0.55 7.97 7.69 2z57A1 TRP 378 HA -0.20 0.30 0.28 -0.75 4.62 4.24 2z57A1 TRP 378 HB2 -0.83 0.02 0.06 -0.04 3.23 2.43 2z57A1 TRP 378 HB3 -0.27 -0.09 0.06 -0.04 3.23 2.90 2z57A1 TRP 378 HD1 -1.33 0.03 -0.06 -0.04 7.22 5.82 2z57A1 TRP 378 HE1 0.11 0.31 0.15 -0.04 10.20 10.72 2z57A1 TRP 378 HE3 -0.06 -0.02 -0.41 -0.04 7.59 7.06 2z57A1 TRP 378 HZ2 0.04 0.12 -0.16 -0.04 7.44 7.40 2z57A1 TRP 378 HZ3 -0.02 -0.08 -0.15 -0.04 7.13 6.84 2z57A1 TRP 378 HH2 -0.02 -0.04 -0.06 -0.04 7.19 7.02 2z57A1 ASP 379 H -0.79 0.50 0.24 -0.55 8.40 7.80 2z57A1 ASP 379 HA -0.33 0.14 0.60 -0.75 4.63 4.29 2z57A1 ASP 379 HB2 -0.18 -0.21 0.14 -0.04 2.71 2.42 2z57A1 ASP 379 HB3 -0.12 0.30 -0.08 -0.04 2.70 2.76 2z57A1 ALA 380 H -0.33 0.17 0.13 -0.55 8.40 7.83 2z57A1 ALA 380 HA -0.62 0.15 0.39 -0.75 4.34 3.51 2z57A1 ALA 380 HB3 -0.06 0.02 0.13 -0.04 1.41 1.46 2z57A1 ASP 381 H -0.31 0.04 -0.32 -0.55 8.40 7.26 2z57A1 ASP 381 HA -0.29 0.21 0.74 -0.75 4.63 4.54 2z57A1 ASP 381 HB2 -0.40 -0.01 0.06 -0.04 2.71 2.33 2z57A1 ASP 381 HB3 -0.70 -0.03 -0.05 -0.04 2.70 1.88 2z57A1 TYR 382 H -0.20 0.13 -0.11 -0.55 8.29 7.56 2z57A1 TYR 382 HA -0.12 0.05 0.23 -0.75 4.56 3.97 2z57A1 TYR 382 HB2 -0.19 0.25 -0.17 -0.04 3.06 2.92 2z57A1 TYR 382 HB3 -0.09 -0.08 -0.12 -0.04 2.98 2.65 2z57A1 TYR 382 HD2 -0.09 0.05 -0.21 -0.04 7.15 6.85 2z57A1 TYR 382 HE2 -0.06 -0.02 -0.16 -0.04 6.85 6.58 2z57A1 GLY 383 H -0.52 0.22 -0.34 -0.55 8.43 7.24 2z57A1 GLY 383 HA2 -1.28 0.16 0.21 -0.51 4.01 2.58 2z57A1 GLY 383 HA3 -0.06 0.04 0.04 -0.51 4.01 3.52 2z57A1 TYR 384 H 0.28 0.78 0.27 -0.55 8.29 9.07 2z57A1 TYR 384 HA 0.08 -0.03 0.45 -0.75 4.56 4.31 2z57A1 TYR 384 HB2 0.10 0.06 0.18 -0.04 3.06 3.37 2z57A1 TYR 384 HB3 0.08 0.13 0.12 -0.04 2.98 3.27 2z57A1 TYR 384 HD2 -0.08 0.13 0.12 -0.04 7.15 7.28 2z57A1 TYR 384 HE2 -0.84 -0.02 0.07 -0.04 6.85 6.02 2z57A1 GLY 385 H 0.11 0.28 -0.22 -0.55 8.43 8.06 2z57A1 GLY 385 HA2 0.02 -0.11 0.16 -0.51 4.01 3.56 2z57A1 GLY 385 HA3 0.03 0.31 0.58 -0.51 4.01 4.41 2z57A1 VAL 386 H -0.01 0.50 0.23 -0.55 8.24 8.42 2z57A1 VAL 386 HA 0.06 0.25 0.53 -0.75 4.13 4.23 2z57A1 VAL 386 HB 0.00 -0.00 0.17 -0.04 2.12 2.25 2z57A1 VAL 386 HG13 0.03 0.04 -0.08 -0.04 0.97 0.92 2z57A1 VAL 386 HG23 0.05 -0.03 -0.11 -0.04 0.95 0.81 2z57A1 VAL 387 H 0.05 0.31 0.33 -0.55 8.24 8.38 2z57A1 VAL 387 HA 0.04 0.11 0.35 -0.75 4.13 3.88 2z57A1 VAL 387 HB 0.04 -0.01 -0.01 -0.04 2.12 2.11 2z57A1 VAL 387 HG13 0.08 0.03 0.03 -0.04 0.97 1.07 2z57A1 VAL 387 HG23 0.05 -0.01 -0.02 -0.04 0.95 0.93 2z57A1 ARG 388 H 0.02 0.22 0.05 -0.55 8.46 8.20 2z57A1 ARG 388 HA 0.00 0.23 0.83 -0.75 4.34 4.66 2z57A1 ARG 388 HB2 0.00 0.10 0.14 -0.04 1.90 2.10 2z57A1 ARG 388 HB3 -0.01 -0.14 -0.01 -0.04 1.80 1.60 2z57A1 ARG 388 HG2 -0.00 -0.02 -0.01 -0.04 1.67 1.60 2z57A1 ARG 388 HG3 0.01 0.13 -0.48 -0.04 1.67 1.29 2z57A1 ARG 388 HD2 0.01 -0.07 0.05 -0.04 3.22 3.16 2z57A1 ARG 388 HD3 0.00 0.16 0.08 -0.04 3.22 3.43 2z57A1 ALA 389 H -0.00 0.96 0.21 -0.55 8.40 9.02 2z57A1 ALA 389 HA 0.02 -0.00 0.31 -0.75 4.34 3.90 2z57A1 ALA 389 HB3 0.01 0.05 0.05 -0.04 1.41 1.48 2z57A1 ALA 390 H -0.04 0.38 0.11 -0.55 8.40 8.30 2z57A1 ALA 390 HA -0.03 0.04 0.37 -0.75 4.34 3.96 2z57A1 ALA 390 HB3 -0.06 0.01 0.08 -0.04 1.41 1.40 2z57A1 LEU 391 H -0.01 0.13 -0.26 -0.55 8.37 7.68 2z57A1 LEU 391 HA -0.00 0.04 0.46 -0.75 4.35 4.09 2z57A1 LEU 391 HB2 -0.00 0.14 0.09 -0.04 1.64 1.83 2z57A1 LEU 391 HB3 -0.00 0.02 0.01 -0.04 1.64 1.64 2z57A1 LEU 391 HG -0.01 -0.09 0.01 -0.04 1.64 1.51 2z57A1 LEU 391 HD13 -0.00 0.05 0.02 -0.04 0.93 0.95 2z57A1 LEU 391 HD23 -0.01 -0.01 -0.04 -0.04 0.89 0.79 2z57A1 ALA 392 H 0.00 0.52 -0.03 -0.55 8.40 8.35 2z57A1 ALA 392 HA -0.00 0.05 0.42 -0.75 4.34 4.05 2z57A1 ALA 392 HB3 0.01 0.01 0.03 -0.04 1.41 1.42 2z57A1 VAL 393 H 0.02 0.71 -0.10 -0.55 8.24 8.32 2z57A1 VAL 393 HA 0.06 0.02 0.39 -0.75 4.13 3.84 2z57A1 VAL 393 HB 0.02 0.11 0.11 -0.04 2.12 2.32 2z57A1 VAL 393 HG13 0.05 -0.01 -0.10 -0.04 0.97 0.87 2z57A1 VAL 393 HG23 0.05 0.01 -0.10 -0.04 0.95 0.87 2z57A1 GLN 394 H 0.02 0.40 -0.18 -0.55 8.47 8.16 2z57A1 GLN 394 HA 0.03 0.02 0.43 -0.75 4.36 4.09 2z57A1 GLN 394 HB2 0.01 0.08 0.17 -0.04 2.15 2.38 2z57A1 GLN 394 HB3 0.01 -0.07 0.02 -0.04 2.02 1.94 2z57A1 GLN 394 HG2 0.00 0.25 0.11 -0.04 2.40 2.72 2z57A1 GLN 394 HG3 -0.00 -0.08 -0.00 -0.04 2.39 2.27 2z57A1 GLN 394 HE21 0.01 -0.00 -0.02 -0.04 6.97 6.91 2z57A1 GLN 394 HE22 0.01 -0.02 0.00 -0.04 7.69 7.64 2z57A1 ALA 395 H 0.02 0.64 -0.14 -0.55 8.40 8.38 2z57A1 ALA 395 HA 0.03 -0.04 0.45 -0.75 4.34 4.02 2z57A1 ALA 395 HB3 0.01 0.01 0.10 -0.04 1.41 1.49 2z57A1 ALA 396 H 0.06 0.44 -0.19 -0.55 8.40 8.16 2z57A1 ALA 396 HA 0.13 0.05 0.38 -0.75 4.34 4.14 2z57A1 ALA 396 HB3 0.18 -0.01 0.08 -0.04 1.41 1.61 2z57A1 LEU 397 H 0.11 0.38 -0.23 -0.55 8.37 8.08 2z57A1 LEU 397 HA 0.20 0.10 0.43 -0.75 4.35 4.33 2z57A1 LEU 397 HB2 0.04 -0.00 0.05 -0.04 1.64 1.68 2z57A1 LEU 397 HB3 -0.01 -0.08 0.09 -0.04 1.64 1.60 2z57A1 LEU 397 HG 0.09 0.17 0.00 -0.04 1.64 1.86 2z57A1 LEU 397 HD13 0.00 -0.04 -0.05 -0.04 0.93 0.80 2z57A1 LEU 397 HD23 -0.01 -0.01 -0.21 -0.04 0.89 0.62 2z57A1 GLY 398 H 0.09 0.30 -0.43 -0.55 8.43 7.85 2z57A1 GLY 398 HA2 0.05 0.06 0.31 -0.51 4.01 3.92 2z57A1 GLY 398 HA3 0.05 0.03 0.16 -0.51 4.01 3.74