============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 3 1.040 49.156 57.837 3.850 -99.200 -91.000 TRP6 3 1.020 47.396 59.321 3.313 -99.200 -91.000 PHE 8 1.000 47.073 60.761 8.463 -99.200 -91.000 PHE 19 1.000 55.375 46.569 22.372 -99.200 -91.000 TYR 23 0.840 46.684 59.483 20.596 -99.200 -91.000 PHE 32 1.000 37.755 57.290 5.537 -99.200 -91.000 PHE 40 1.000 55.564 56.657 22.519 -99.200 -91.000 HIS 51 0.900 65.506 45.139 11.406 -99.200 -91.000 HIS 62 0.900 50.390 44.021 0.413 -99.200 -91.000 HIS 65 0.900 36.710 38.990 5.201 -99.200 -91.000 TYR 72 0.840 42.122 52.679 5.277 -99.200 -91.000 TYR 74 0.840 55.121 51.664 6.605 -99.200 -91.000 PHE 75 1.000 52.448 58.862 9.398 -99.200 -91.000 HIS 76 0.900 59.967 55.352 9.342 -99.200 -91.000 TYR 82 0.840 53.703 58.985 13.889 -99.200 -91.000 TYR 87 0.840 36.203 55.736 14.925 -99.200 -91.000 TYR 94 0.840 36.325 42.558 27.908 -99.200 -91.000 PHE 103 1.000 27.968 39.634 22.734 -99.200 -91.000 TYR 111 0.840 29.186 39.819 17.198 -99.200 -91.000 TYR 121 0.840 41.450 37.757 2.664 -99.200 -91.000 HIS 123 0.900 43.065 29.237 8.906 -99.200 -91.000 HIS 129 0.900 48.972 30.507 17.500 -99.200 -91.000 PHE 150 1.000 50.078 45.103 13.164 -99.200 -91.000 TRP 152 1.040 52.951 44.639 16.531 -99.200 -91.000 TRP6 152 1.020 55.311 44.614 16.682 -99.200 -91.000 HIS 155 0.900 43.808 46.994 22.803 -99.200 -91.000 TYR 170 0.840 39.850 32.944 23.759 -99.200 -91.000 HIS 181 0.900 51.647 26.413 17.279 -99.200 -91.000 TRP 188 1.040 41.217 25.310 21.980 -99.200 -91.000 TRP6 188 1.020 40.621 23.257 22.980 -99.200 -91.000 TYR 195 0.840 31.642 27.819 27.664 -99.200 -91.000 PHE 197 1.000 31.767 36.325 20.677 -99.200 -91.000 PHE 204 1.000 38.658 24.307 28.018 -99.200 -91.000 TYR 209 0.840 46.483 32.427 35.821 -99.200 -91.000 TYR 213 0.840 48.963 26.432 32.307 -99.200 -91.000 PHE 221 1.000 33.635 21.783 26.473 -99.200 -91.000 PHE 223 1.000 28.503 23.273 25.957 -99.200 -91.000 PHE 226 1.000 22.986 30.442 29.596 -99.200 -91.000 HIS 241 0.900 44.074 15.974 23.297 -99.200 -91.000 HIS 255 0.900 26.668 23.025 13.694 -99.200 -91.000 TRP 257 1.040 23.335 27.449 17.297 -99.200 -91.000 TRP6 257 1.020 25.149 28.956 17.558 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j4zA1 ARG 126 HA -0.28 -0.10 0.20 -0.75 4.34 3.41 2j4zA1 ARG 126 HB2 -0.30 0.01 0.03 -0.04 1.90 1.60 2j4zA1 ARG 126 HB3 -0.59 -0.01 0.02 -0.04 1.80 1.18 2j4zA1 ARG 126 HG2 -0.88 0.01 -0.28 -0.04 1.67 0.47 2j4zA1 ARG 126 HG3 -0.49 -0.00 -0.04 -0.04 1.67 1.09 2j4zA1 ARG 126 HD2 -0.72 0.03 -0.06 -0.04 3.22 2.43 2j4zA1 ARG 126 HD3 -3.01 -0.05 -0.14 -0.04 3.22 -0.02 2j4zA1 GLN 127 H -0.27 0.09 0.05 -0.55 8.47 7.80 2j4zA1 GLN 127 HA -0.14 0.16 0.81 -0.75 4.36 4.43 2j4zA1 GLN 127 HB2 -0.14 -0.05 0.18 -0.04 2.15 2.10 2j4zA1 GLN 127 HB3 -0.12 -0.00 0.12 -0.04 2.02 1.97 2j4zA1 GLN 127 HG2 -0.05 -0.03 0.05 -0.04 2.40 2.33 2j4zA1 GLN 127 HG3 -0.06 0.07 0.06 -0.04 2.39 2.42 2j4zA1 GLN 127 HE21 -0.02 -0.02 -0.01 -0.04 6.97 6.88 2j4zA1 GLN 127 HE22 -0.02 0.06 -0.03 -0.04 7.69 7.66 2j4zA1 TRP 128 H 0.01 0.25 0.14 -0.55 7.97 7.82 2j4zA1 TRP 128 HA -0.16 0.05 0.41 -0.75 4.62 4.16 2j4zA1 TRP 128 HB2 0.14 0.00 -0.08 -0.04 3.23 3.26 2j4zA1 TRP 128 HB3 0.02 -0.05 -0.01 -0.04 3.23 3.15 2j4zA1 TRP 128 HD1 0.15 0.00 0.04 -0.04 7.22 7.37 2j4zA1 TRP 128 HE1 0.12 0.09 -0.07 -0.04 10.20 10.30 2j4zA1 TRP 128 HE3 -0.29 -0.05 -0.02 -0.04 7.59 7.20 2j4zA1 TRP 128 HZ2 0.02 0.05 -0.07 -0.04 7.44 7.40 2j4zA1 TRP 128 HZ3 -0.29 -0.06 -0.02 -0.04 7.13 6.72 2j4zA1 TRP 128 HH2 -0.08 -0.03 -0.04 -0.04 7.19 6.99 2j4zA1 ALA 129 H -0.13 0.28 0.18 -0.55 8.40 8.19 2j4zA1 ALA 129 HA -0.67 0.16 0.57 -0.75 4.34 3.65 2j4zA1 ALA 129 HB3 -0.19 0.03 -0.02 -0.04 1.41 1.19 2j4zA1 LEU 130 H -0.36 0.20 0.10 -0.55 8.37 7.77 2j4zA1 LEU 130 HA -0.05 0.11 0.35 -0.75 4.35 4.01 2j4zA1 LEU 130 HB2 -0.21 0.01 0.06 -0.04 1.64 1.46 2j4zA1 LEU 130 HB3 -0.09 -0.02 0.09 -0.04 1.64 1.57 2j4zA1 LEU 130 HG -0.01 0.07 -0.15 -0.04 1.64 1.51 2j4zA1 LEU 130 HD13 -0.04 0.00 -0.04 -0.04 0.93 0.81 2j4zA1 LEU 130 HD23 0.02 -0.00 -0.05 -0.04 0.89 0.82 2j4zA1 GLU 131 H -0.12 0.04 -0.20 -0.55 8.60 7.77 2j4zA1 GLU 131 HA -0.04 0.13 0.34 -0.75 4.29 3.97 2j4zA1 GLU 131 HB2 -0.06 0.05 0.07 -0.04 2.09 2.11 2j4zA1 GLU 131 HB3 -0.06 -0.02 0.08 -0.04 1.99 1.95 2j4zA1 GLU 131 HG2 -0.12 -0.16 -0.07 -0.04 2.34 1.95 2j4zA1 GLU 131 HG3 -0.09 0.07 -0.25 -0.04 2.34 2.02 2j4zA1 ASP 132 H -0.11 0.34 -0.63 -0.55 8.40 7.45 2j4zA1 ASP 132 HA -0.16 0.09 0.58 -0.75 4.63 4.39 2j4zA1 ASP 132 HB2 -0.32 0.13 0.09 -0.04 2.71 2.57 2j4zA1 ASP 132 HB3 -0.28 -0.08 0.14 -0.04 2.70 2.44 2j4zA1 PHE 133 H 0.09 0.61 -0.17 -0.55 8.34 8.31 2j4zA1 PHE 133 HA -0.03 0.19 1.17 -0.75 4.62 5.19 2j4zA1 PHE 133 HB2 -0.02 -0.00 -0.10 -0.04 3.15 3.00 2j4zA1 PHE 133 HB3 -0.04 0.03 -0.09 -0.04 3.06 2.92 2j4zA1 PHE 133 HD2 -0.10 0.06 -0.24 -0.04 7.28 6.95 2j4zA1 PHE 133 HE2 -0.31 -0.04 -0.16 -0.04 7.38 6.83 2j4zA1 PHE 133 HZ -1.27 0.00 -0.14 -0.04 7.32 5.87 2j4zA1 GLU 134 H 0.11 0.50 0.31 -0.55 8.60 8.99 2j4zA1 GLU 134 HA 0.03 0.14 0.83 -0.75 4.29 4.53 2j4zA1 GLU 134 HB2 0.02 -0.01 0.10 -0.04 2.09 2.15 2j4zA1 GLU 134 HB3 0.00 0.04 -0.02 -0.04 1.99 1.97 2j4zA1 GLU 134 HG2 0.00 0.05 -0.01 -0.04 2.34 2.34 2j4zA1 GLU 134 HG3 -0.00 -0.01 -0.15 -0.04 2.34 2.14 2j4zA1 ILE 135 H -0.01 0.17 0.13 -0.55 8.25 7.99 2j4zA1 ILE 135 HA -0.01 0.19 1.01 -0.75 4.18 4.61 2j4zA1 ILE 135 HB -0.14 -0.02 0.07 -0.04 1.89 1.75 2j4zA1 ILE 135 HG12 -0.04 0.02 -0.22 -0.04 1.49 1.21 2j4zA1 ILE 135 HG13 -0.01 -0.05 -0.25 -0.04 1.21 0.86 2j4zA1 ILE 135 HG23 -0.32 0.06 -0.07 -0.04 0.93 0.56 2j4zA1 ILE 135 HD13 -0.10 -0.01 -0.09 -0.04 0.88 0.63 2j4zA1 GLY 136 H 0.02 0.82 0.20 -0.55 8.43 8.93 2j4zA1 GLY 136 HA2 0.01 0.16 0.80 -0.51 4.01 4.47 2j4zA1 GLY 136 HA3 0.01 -0.06 0.33 -0.51 4.01 3.77 2j4zA1 ARG 137 H 0.04 0.07 0.14 -0.55 8.46 8.16 2j4zA1 ARG 137 HA 0.11 0.11 0.46 -0.75 4.34 4.27 2j4zA1 ARG 137 HB2 0.05 0.13 0.11 -0.04 1.90 2.15 2j4zA1 ARG 137 HB3 0.04 -0.03 0.14 -0.04 1.80 1.91 2j4zA1 ARG 137 HG2 0.02 -0.14 0.13 -0.04 1.67 1.64 2j4zA1 ARG 137 HG3 0.04 0.10 -0.10 -0.04 1.67 1.66 2j4zA1 ARG 137 HD2 0.03 0.04 0.02 -0.04 3.22 3.28 2j4zA1 ARG 137 HD3 0.02 -0.02 0.05 -0.04 3.22 3.22 2j4zA1 PRO 138 HA -0.19 0.12 0.69 -0.51 4.44 4.54 2j4zA1 PRO 138 HB2 -0.02 -0.01 0.05 -0.04 2.28 2.26 2j4zA1 PRO 138 HB3 -0.19 0.05 0.12 -0.04 2.02 1.95 2j4zA1 PRO 138 HG2 0.09 0.02 0.08 -0.04 2.03 2.18 2j4zA1 PRO 138 HG3 0.26 0.07 0.09 -0.04 2.03 2.40 2j4zA1 PRO 138 HD2 0.07 0.09 0.23 -0.04 3.68 4.02 2j4zA1 PRO 138 HD3 0.13 0.12 0.25 -0.04 3.65 4.12 2j4zA1 LEU 139 H -0.14 0.87 0.58 -0.55 8.37 9.13 2j4zA1 LEU 139 HA 0.03 0.15 0.82 -0.75 4.35 4.59 2j4zA1 LEU 139 HB2 0.00 0.02 -0.10 -0.04 1.64 1.52 2j4zA1 LEU 139 HB3 0.05 -0.03 0.03 -0.04 1.64 1.64 2j4zA1 LEU 139 HG 0.05 -0.04 -0.18 -0.04 1.64 1.43 2j4zA1 LEU 139 HD13 0.17 -0.01 -0.20 -0.04 0.93 0.85 2j4zA1 LEU 139 HD23 0.13 0.02 -0.05 -0.04 0.89 0.95 2j4zA1 GLY 140 H -0.13 0.26 0.36 -0.55 8.43 8.38 2j4zA1 GLY 140 HA2 0.02 0.02 0.54 -0.51 4.01 4.08 2j4zA1 GLY 140 HA3 0.04 0.07 0.44 -0.51 4.01 4.06 2j4zA1 LYS 141 H 0.03 0.12 0.20 -0.55 8.42 8.22 2j4zA1 LYS 141 HA -0.00 0.17 0.99 -0.75 4.32 4.72 2j4zA1 LYS 141 HB2 0.01 -0.05 0.08 -0.04 1.87 1.87 2j4zA1 LYS 141 HB3 0.01 0.07 0.00 -0.04 1.79 1.83 2j4zA1 LYS 141 HG2 -0.02 -0.11 -0.28 -0.04 1.46 1.01 2j4zA1 LYS 141 HG3 0.00 0.01 -0.05 -0.04 1.46 1.38 2j4zA1 LYS 141 HD2 0.02 0.02 0.00 -0.04 1.69 1.68 2j4zA1 LYS 141 HD3 -0.07 0.12 0.03 -0.04 1.68 1.71 2j4zA1 LYS 141 HE2 -0.04 -0.03 -0.05 -0.04 2.99 2.83 2j4zA1 LYS 141 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.94 2j4zA1 GLY 142 H 0.06 0.86 0.29 -0.55 8.43 9.10 2j4zA1 GLY 142 HA2 0.01 0.22 0.71 -0.51 4.01 4.44 2j4zA1 GLY 142 HA3 0.07 -0.15 -0.07 -0.51 4.01 3.36 2j4zA1 LYS 143 H 0.08 0.10 0.09 -0.55 8.42 8.14 2j4zA1 LYS 143 HA -0.04 0.12 0.50 -0.75 4.32 4.15 2j4zA1 LYS 143 HB2 -0.00 0.01 0.10 -0.04 1.87 1.94 2j4zA1 LYS 143 HB3 0.12 -0.04 0.12 -0.04 1.79 1.95 2j4zA1 LYS 143 HG2 -0.34 0.00 -0.15 -0.04 1.46 0.94 2j4zA1 LYS 143 HG3 -0.13 0.01 0.06 -0.04 1.46 1.36 2j4zA1 LYS 143 HD2 -0.05 0.00 0.01 -0.04 1.69 1.61 2j4zA1 LYS 143 HD3 -0.04 -0.02 -0.01 -0.04 1.68 1.58 2j4zA1 LYS 143 HE2 -0.20 0.01 -0.03 -0.04 2.99 2.73 2j4zA1 LYS 143 HE3 -0.12 -0.00 -0.01 -0.04 2.99 2.82 2j4zA1 PHE 144 H 0.39 0.42 0.06 -0.55 8.34 8.66 2j4zA1 PHE 144 HA 0.10 0.08 0.70 -0.75 4.62 4.75 2j4zA1 PHE 144 HB2 0.16 0.22 -0.13 -0.04 3.15 3.36 2j4zA1 PHE 144 HB3 0.20 -0.07 -0.02 -0.04 3.06 3.13 2j4zA1 PHE 144 HD2 0.14 -0.04 -0.05 -0.04 7.28 7.29 2j4zA1 PHE 144 HE2 0.02 0.01 -0.06 -0.04 7.38 7.30 2j4zA1 PHE 144 HZ -0.10 0.05 -0.04 -0.04 7.32 7.19 2j4zA1 GLY 145 H 0.22 0.16 -0.20 -0.55 8.43 8.07 2j4zA1 GLY 145 HA2 0.48 -0.01 0.36 -0.51 4.01 4.32 2j4zA1 GLY 145 HA3 0.30 0.40 0.74 -0.51 4.01 4.93 2j4zA1 ASN 146 H 0.16 0.51 0.42 -0.55 8.53 9.08 2j4zA1 ASN 146 HA 0.01 0.22 1.00 -0.75 4.76 5.23 2j4zA1 ASN 146 HB2 0.03 -0.06 0.08 -0.04 2.88 2.89 2j4zA1 ASN 146 HB3 -0.35 0.13 0.30 -0.04 2.79 2.83 2j4zA1 ASN 146 HD21 0.20 0.00 -0.07 -0.04 7.03 7.12 2j4zA1 ASN 146 HD22 0.34 -0.01 -0.03 -0.04 7.74 7.99 2j4zA1 VAL 147 H -0.24 0.61 0.44 -0.55 8.24 8.50 2j4zA1 VAL 147 HA 0.02 0.31 1.08 -0.75 4.13 4.78 2j4zA1 VAL 147 HB 0.02 0.01 -0.12 -0.04 2.12 1.98 2j4zA1 VAL 147 HG13 -0.02 0.00 -0.04 -0.04 0.97 0.87 2j4zA1 VAL 147 HG23 0.03 -0.01 -0.27 -0.04 0.95 0.66 2j4zA1 TYR 148 H 0.19 0.61 0.31 -0.55 8.29 8.84 2j4zA1 TYR 148 HA 0.02 0.11 1.17 -0.75 4.56 5.11 2j4zA1 TYR 148 HB2 -0.00 -0.05 -0.02 -0.04 3.06 2.95 2j4zA1 TYR 148 HB3 0.00 0.18 -0.04 -0.04 2.98 3.08 2j4zA1 TYR 148 HD2 0.02 0.17 -0.14 -0.04 7.15 7.16 2j4zA1 TYR 148 HE2 0.04 -0.02 -0.07 -0.04 6.85 6.77 2j4zA1 LEU 149 H 0.10 0.57 0.18 -0.55 8.37 8.67 2j4zA1 LEU 149 HA -0.13 0.17 0.67 -0.75 4.35 4.31 2j4zA1 LEU 149 HB2 -0.10 0.04 0.12 -0.04 1.64 1.67 2j4zA1 LEU 149 HB3 -0.05 -0.17 0.12 -0.04 1.64 1.50 2j4zA1 LEU 149 HG -0.23 0.05 0.01 -0.04 1.64 1.43 2j4zA1 LEU 149 HD13 -0.84 0.03 0.05 -0.04 0.93 0.14 2j4zA1 LEU 149 HD23 -0.15 -0.02 -0.01 -0.04 0.89 0.67 2j4zA1 ALA 150 H -0.14 0.67 0.37 -0.55 8.40 8.76 2j4zA1 ALA 150 HA -0.01 0.16 0.72 -0.75 4.34 4.46 2j4zA1 ALA 150 HB3 -0.02 -0.02 -0.21 -0.04 1.41 1.12 2j4zA1 ARG 151 H 0.06 0.52 0.29 -0.55 8.46 8.77 2j4zA1 ARG 151 HA -0.01 0.38 0.93 -0.75 4.34 4.88 2j4zA1 ARG 151 HB2 -0.03 -0.03 -0.19 -0.04 1.90 1.61 2j4zA1 ARG 151 HB3 0.00 -0.07 -0.02 -0.04 1.80 1.67 2j4zA1 ARG 151 HG2 0.01 0.01 -0.34 -0.04 1.67 1.31 2j4zA1 ARG 151 HG3 -0.02 0.13 -0.42 -0.04 1.67 1.32 2j4zA1 ARG 151 HD2 -0.01 -0.05 -0.14 -0.04 3.22 2.98 2j4zA1 ARG 151 HD3 -0.00 0.05 -0.05 -0.04 3.22 3.17 2j4zA1 GLU 152 H 0.06 0.49 0.13 -0.55 8.60 8.73 2j4zA1 GLU 152 HA -0.29 0.20 0.72 -0.75 4.29 4.17 2j4zA1 GLU 152 HB2 -0.03 0.06 0.06 -0.04 2.09 2.14 2j4zA1 GLU 152 HB3 0.02 -0.19 0.15 -0.04 1.99 1.92 2j4zA1 GLU 152 HG2 -0.63 0.13 0.05 -0.04 2.34 1.86 2j4zA1 GLU 152 HG3 -0.16 0.03 -0.01 -0.04 2.34 2.16 2j4zA1 LYS 153 H -0.19 0.75 0.34 -0.55 8.42 8.76 2j4zA1 LYS 153 HA -0.04 0.04 0.27 -0.75 4.32 3.84 2j4zA1 LYS 153 HB2 -0.10 -0.11 0.18 -0.04 1.87 1.80 2j4zA1 LYS 153 HB3 -0.05 -0.00 -0.03 -0.04 1.79 1.66 2j4zA1 LYS 153 HG2 -0.10 0.09 -0.40 -0.04 1.46 1.01 2j4zA1 LYS 153 HG3 -0.08 0.11 0.03 -0.04 1.46 1.49 2j4zA1 LYS 153 HD2 -0.04 -0.04 -0.04 -0.04 1.69 1.54 2j4zA1 LYS 153 HD3 -0.03 -0.04 -0.07 -0.04 1.68 1.50 2j4zA1 LYS 153 HE2 -0.02 -0.07 -0.10 -0.04 2.99 2.76 2j4zA1 LYS 153 HE3 -0.01 0.01 -0.42 -0.04 2.99 2.52 2j4zA1 GLN 154 H -0.04 0.05 -0.08 -0.55 8.47 7.85 2j4zA1 GLN 154 HA -0.02 0.12 0.46 -0.75 4.36 4.17 2j4zA1 GLN 154 HB2 0.00 -0.10 0.13 -0.04 2.15 2.14 2j4zA1 GLN 154 HB3 -0.01 0.05 -0.02 -0.04 2.02 2.00 2j4zA1 GLN 154 HG2 -0.04 0.04 0.01 -0.04 2.40 2.37 2j4zA1 GLN 154 HG3 -0.04 -0.04 0.05 -0.04 2.39 2.32 2j4zA1 GLN 154 HE21 -0.10 0.02 -0.01 -0.04 6.97 6.83 2j4zA1 GLN 154 HE22 -0.08 -0.02 0.00 -0.04 7.69 7.56 2j4zA1 SER 155 H 0.03 0.03 0.00 -0.55 8.46 7.97 2j4zA1 SER 155 HA 0.02 0.13 0.45 -0.75 4.49 4.34 2j4zA1 SER 155 HB2 0.02 0.05 0.08 -0.04 3.95 4.06 2j4zA1 SER 155 HB3 0.02 0.01 0.09 -0.04 3.93 4.01 2j4zA1 LYS 156 H 0.03 0.46 -0.37 -0.55 8.42 7.98 2j4zA1 LYS 156 HA 0.02 0.08 0.16 -0.75 4.32 3.82 2j4zA1 LYS 156 HB2 0.04 0.26 0.15 -0.04 1.87 2.27 2j4zA1 LYS 156 HB3 0.02 -0.10 0.16 -0.04 1.79 1.83 2j4zA1 LYS 156 HG2 0.01 0.20 -0.34 -0.04 1.46 1.28 2j4zA1 LYS 156 HG3 0.01 -0.08 -0.07 -0.04 1.46 1.27 2j4zA1 LYS 156 HD2 -0.00 -0.11 -0.02 -0.04 1.69 1.52 2j4zA1 LYS 156 HD3 -0.00 0.05 -0.04 -0.04 1.68 1.65 2j4zA1 LYS 156 HE2 -0.01 -0.11 0.01 -0.04 2.99 2.84 2j4zA1 LYS 156 HE3 -0.01 0.26 0.09 -0.04 2.99 3.29 2j4zA1 PHE 157 H 0.17 -0.07 -0.30 -0.55 8.34 7.58 2j4zA1 PHE 157 HA -0.02 0.11 0.45 -0.75 4.62 4.41 2j4zA1 PHE 157 HB2 -0.03 0.01 -0.00 -0.04 3.15 3.08 2j4zA1 PHE 157 HB3 -0.07 -0.10 0.01 -0.04 3.06 2.86 2j4zA1 PHE 157 HD2 -0.10 -0.03 -0.08 -0.04 7.28 7.03 2j4zA1 PHE 157 HE2 -0.11 -0.02 -0.00 -0.04 7.38 7.20 2j4zA1 PHE 157 HZ 0.06 -0.02 0.04 -0.04 7.32 7.36 2j4zA1 ILE 158 H -0.54 0.13 0.21 -0.55 8.25 7.51 2j4zA1 ILE 158 HA -0.21 0.22 0.87 -0.75 4.18 4.31 2j4zA1 ILE 158 HB -0.29 -0.05 0.22 -0.04 1.89 1.73 2j4zA1 ILE 158 HG12 -0.13 0.05 0.05 -0.04 1.49 1.42 2j4zA1 ILE 158 HG13 -0.13 -0.03 0.05 -0.04 1.21 1.06 2j4zA1 ILE 158 HG23 -0.40 -0.01 -0.07 -0.04 0.93 0.42 2j4zA1 ILE 158 HD13 -0.14 0.00 -0.05 -0.04 0.88 0.65 2j4zA1 LEU 159 H -0.16 0.76 0.38 -0.55 8.37 8.81 2j4zA1 LEU 159 HA -0.06 0.10 0.86 -0.75 4.35 4.49 2j4zA1 LEU 159 HB2 -0.04 -0.07 -0.16 -0.04 1.64 1.33 2j4zA1 LEU 159 HB3 -0.02 0.12 0.11 -0.04 1.64 1.81 2j4zA1 LEU 159 HG -0.03 -0.06 -0.65 -0.04 1.64 0.87 2j4zA1 LEU 159 HD13 0.03 -0.03 -0.18 -0.04 0.93 0.72 2j4zA1 LEU 159 HD23 0.01 0.00 -0.14 -0.04 0.89 0.72 2j4zA1 ALA 160 H 0.04 0.75 0.23 -0.55 8.40 8.87 2j4zA1 ALA 160 HA 0.02 0.27 0.93 -0.75 4.34 4.80 2j4zA1 ALA 160 HB3 0.13 -0.02 -0.10 -0.04 1.41 1.38 2j4zA1 LEU 161 H 0.04 0.70 0.21 -0.55 8.37 8.77 2j4zA1 LEU 161 HA -0.09 0.32 1.11 -0.75 4.35 4.94 2j4zA1 LEU 161 HB2 -0.16 -0.03 -0.17 -0.04 1.64 1.24 2j4zA1 LEU 161 HB3 0.03 -0.04 0.04 -0.04 1.64 1.64 2j4zA1 LEU 161 HG 0.01 0.03 -0.33 -0.04 1.64 1.31 2j4zA1 LEU 161 HD13 -0.40 0.04 -0.24 -0.04 0.93 0.28 2j4zA1 LEU 161 HD23 -0.00 -0.02 -0.18 -0.04 0.89 0.65 2j4zA1 LYS 162 H -0.04 0.65 0.30 -0.55 8.42 8.79 2j4zA1 LYS 162 HA 0.05 0.18 0.91 -0.75 4.32 4.71 2j4zA1 LYS 162 HB2 0.03 0.00 0.01 -0.04 1.87 1.86 2j4zA1 LYS 162 HB3 -0.01 -0.06 0.19 -0.04 1.79 1.86 2j4zA1 LYS 162 HG2 0.05 -0.04 -0.30 -0.04 1.46 1.13 2j4zA1 LYS 162 HG3 0.08 0.02 -0.14 -0.04 1.46 1.38 2j4zA1 LYS 162 HD2 0.12 -0.02 -0.12 -0.04 1.69 1.63 2j4zA1 LYS 162 HD3 0.11 -0.04 -0.11 -0.04 1.68 1.60 2j4zA1 LYS 162 HE2 0.22 -0.06 -0.13 -0.04 2.99 2.97 2j4zA1 LYS 162 HE3 0.20 -0.07 -0.15 -0.04 2.99 2.93 2j4zA1 VAL 163 H 0.06 0.98 0.45 -0.55 8.24 9.18 2j4zA1 VAL 163 HA -0.29 0.25 1.11 -0.75 4.13 4.45 2j4zA1 VAL 163 HB 0.05 -0.09 0.19 -0.04 2.12 2.23 2j4zA1 VAL 163 HG13 -0.58 -0.01 -0.12 -0.04 0.97 0.22 2j4zA1 VAL 163 HG23 0.10 0.03 -0.18 -0.04 0.95 0.86 2j4zA1 LEU 164 H -0.27 0.73 0.39 -0.55 8.37 8.68 2j4zA1 LEU 164 HA 0.13 0.30 0.91 -0.75 4.35 4.94 2j4zA1 LEU 164 HB2 -0.06 -0.09 0.06 -0.04 1.64 1.51 2j4zA1 LEU 164 HB3 0.15 0.00 -0.04 -0.04 1.64 1.72 2j4zA1 LEU 164 HG 0.01 -0.01 -0.33 -0.04 1.64 1.26 2j4zA1 LEU 164 HD13 -0.11 -0.00 -0.14 -0.04 0.93 0.64 2j4zA1 LEU 164 HD23 0.25 0.04 -0.29 -0.04 0.89 0.85 2j4zA1 PHE 165 H 0.41 0.69 0.38 -0.55 8.34 9.27 2j4zA1 PHE 165 HA -0.02 0.25 1.07 -0.75 4.62 5.17 2j4zA1 PHE 165 HB2 0.00 0.02 0.27 -0.04 3.15 3.40 2j4zA1 PHE 165 HB3 0.00 -0.12 0.16 -0.04 3.06 3.06 2j4zA1 PHE 165 HD2 0.02 0.14 0.11 -0.04 7.28 7.51 2j4zA1 PHE 165 HE2 0.03 -0.02 -0.02 -0.04 7.38 7.34 2j4zA1 PHE 165 HZ 0.05 0.01 -0.04 -0.04 7.32 7.29 2j4zA1 LYS 166 H 0.05 0.65 0.20 -0.55 8.42 8.77 2j4zA1 LYS 166 HA 0.07 0.03 0.33 -0.75 4.32 3.99 2j4zA1 LYS 166 HB2 0.06 0.06 0.08 -0.04 1.87 2.03 2j4zA1 LYS 166 HB3 0.05 -0.01 0.01 -0.04 1.79 1.80 2j4zA1 LYS 166 HG2 0.02 -0.03 -0.11 -0.04 1.46 1.31 2j4zA1 LYS 166 HG3 0.03 -0.05 -0.38 -0.04 1.46 1.02 2j4zA1 LYS 166 HD2 0.08 0.16 -0.22 -0.04 1.69 1.67 2j4zA1 LYS 166 HD3 0.05 -0.04 -0.05 -0.04 1.68 1.60 2j4zA1 LYS 166 HE2 0.18 0.00 -0.07 -0.04 2.99 3.06 2j4zA1 LYS 166 HE3 0.03 -0.06 -0.10 -0.04 2.99 2.82 2j4zA1 ALA 167 H 0.14 0.15 -0.22 -0.55 8.40 7.92 2j4zA1 ALA 167 HA 0.05 0.08 0.42 -0.75 4.34 4.13 2j4zA1 ALA 167 HB3 0.05 0.02 0.08 -0.04 1.41 1.53 2j4zA1 GLN 168 H 0.07 0.21 -0.07 -0.55 8.47 8.13 2j4zA1 GLN 168 HA -0.10 0.07 0.48 -0.75 4.36 4.06 2j4zA1 GLN 168 HB2 -0.05 0.10 0.20 -0.04 2.15 2.35 2j4zA1 GLN 168 HB3 -0.46 -0.01 0.02 -0.04 2.02 1.53 2j4zA1 GLN 168 HG2 -0.23 0.29 0.13 -0.04 2.40 2.55 2j4zA1 GLN 168 HG3 -0.18 -0.04 0.05 -0.04 2.39 2.19 2j4zA1 GLN 168 HE21 -0.66 -0.07 0.04 -0.04 6.97 6.24 2j4zA1 GLN 168 HE22 -0.30 0.20 0.04 -0.04 7.69 7.59 2j4zA1 LEU 169 H 0.13 0.37 -0.23 -0.55 8.37 8.10 2j4zA1 LEU 169 HA 0.40 0.06 0.31 -0.75 4.35 4.37 2j4zA1 LEU 169 HB2 0.13 0.09 0.13 -0.04 1.64 1.94 2j4zA1 LEU 169 HB3 0.20 -0.06 -0.17 -0.04 1.64 1.56 2j4zA1 LEU 169 HG 0.27 0.23 -0.09 -0.04 1.64 2.00 2j4zA1 LEU 169 HD13 0.03 -0.02 -0.17 -0.04 0.93 0.73 2j4zA1 LEU 169 HD23 0.60 0.01 -0.09 -0.04 0.89 1.37 2j4zA1 GLU 170 H 0.07 0.74 -0.02 -0.55 8.60 8.84 2j4zA1 GLU 170 HA 0.06 -0.11 0.47 -0.75 4.29 3.95 2j4zA1 GLU 170 HB2 0.03 -0.01 0.13 -0.04 2.09 2.20 2j4zA1 GLU 170 HB3 0.03 0.11 0.15 -0.04 1.99 2.24 2j4zA1 GLU 170 HG2 0.03 0.04 -0.18 -0.04 2.34 2.19 2j4zA1 GLU 170 HG3 0.03 -0.07 0.07 -0.04 2.34 2.32 2j4zA1 LYS 171 H 0.02 0.51 -0.15 -0.55 8.42 8.24 2j4zA1 LYS 171 HA 0.00 0.00 0.39 -0.75 4.32 3.97 2j4zA1 LYS 171 HB2 -0.02 0.03 0.16 -0.04 1.87 2.00 2j4zA1 LYS 171 HB3 -0.05 0.10 0.16 -0.04 1.79 1.96 2j4zA1 LYS 171 HG2 -0.04 0.02 -0.15 -0.04 1.46 1.25 2j4zA1 LYS 171 HG3 -0.03 -0.04 0.08 -0.04 1.46 1.43 2j4zA1 LYS 171 HD2 -0.05 -0.03 0.00 -0.04 1.69 1.57 2j4zA1 LYS 171 HD3 -0.09 0.01 0.00 -0.04 1.68 1.55 2j4zA1 LYS 171 HE2 -0.06 0.01 -0.02 -0.04 2.99 2.88 2j4zA1 LYS 171 HE3 -0.04 -0.01 0.00 -0.04 2.99 2.90 2j4zA1 ALA 172 H 0.05 0.32 -0.56 -0.55 8.40 7.65 2j4zA1 ALA 172 HA 0.02 0.14 0.74 -0.75 4.34 4.49 2j4zA1 ALA 172 HB3 0.09 -0.01 0.08 -0.04 1.41 1.53 2j4zA1 GLY 173 H 0.06 0.65 -0.32 -0.55 8.43 8.26 2j4zA1 GLY 173 HA2 0.06 -0.04 0.40 -0.51 4.01 3.93 2j4zA1 GLY 173 HA3 0.05 0.04 0.40 -0.51 4.01 3.99 2j4zA1 VAL 174 H 0.16 0.58 -0.13 -0.55 8.24 8.29 2j4zA1 VAL 174 HA 0.16 0.18 0.91 -0.75 4.13 4.62 2j4zA1 VAL 174 HB 0.34 -0.08 0.12 -0.04 2.12 2.46 2j4zA1 VAL 174 HG13 -0.01 0.10 -0.16 -0.04 0.97 0.86 2j4zA1 VAL 174 HG23 0.40 0.01 -0.07 -0.04 0.95 1.25 2j4zA1 GLU 175 H 0.09 0.18 -0.19 -0.55 8.60 8.12 2j4zA1 GLU 175 HA 0.04 0.10 0.37 -0.75 4.29 4.05 2j4zA1 GLU 175 HB2 -0.13 0.05 -0.03 -0.04 2.09 1.94 2j4zA1 GLU 175 HB3 -0.01 0.01 -0.03 -0.04 1.99 1.92 2j4zA1 GLU 175 HG2 -0.02 -0.02 0.03 -0.04 2.34 2.29 2j4zA1 GLU 175 HG3 -0.49 0.01 -0.03 -0.04 2.34 1.80 2j4zA1 HIS 176 H 0.04 0.15 -0.06 -0.55 8.41 7.99 2j4zA1 HIS 176 HA 0.00 0.11 0.46 -0.75 4.63 4.45 2j4zA1 HIS 176 HB2 0.04 0.02 0.04 -0.04 3.26 3.33 2j4zA1 HIS 176 HB3 0.02 0.05 -0.02 -0.04 3.20 3.21 2j4zA1 HIS 176 HD2 0.03 0.03 0.01 -0.04 6.97 6.99 2j4zA1 HIS 176 HE1 0.02 0.03 -0.02 -0.04 7.75 7.73 2j4zA1 GLN 177 H 0.19 0.07 -0.37 -0.55 8.47 7.81 2j4zA1 GLN 177 HA 0.13 0.06 0.35 -0.75 4.36 4.15 2j4zA1 GLN 177 HB2 0.34 0.07 0.02 -0.04 2.15 2.54 2j4zA1 GLN 177 HB3 0.27 0.05 0.02 -0.04 2.02 2.31 2j4zA1 GLN 177 HG2 0.09 0.03 0.02 -0.04 2.40 2.50 2j4zA1 GLN 177 HG3 0.13 -0.10 0.02 -0.04 2.39 2.40 2j4zA1 GLN 177 HE21 0.03 0.07 0.07 -0.04 6.97 7.10 2j4zA1 GLN 177 HE22 0.08 -0.05 0.10 -0.04 7.69 7.78 2j4zA1 LEU 178 H 0.01 0.29 -0.50 -0.55 8.37 7.62 2j4zA1 LEU 178 HA -0.89 0.08 0.38 -0.75 4.35 3.17 2j4zA1 LEU 178 HB2 -0.42 0.14 0.12 -0.04 1.64 1.44 2j4zA1 LEU 178 HB3 -0.37 -0.00 0.00 -0.04 1.64 1.23 2j4zA1 LEU 178 HG -1.88 -0.00 -0.04 -0.04 1.64 -0.33 2j4zA1 LEU 178 HD13 -0.31 -0.01 -0.10 -0.04 0.93 0.46 2j4zA1 LEU 178 HD23 -0.98 0.01 -0.09 -0.04 0.89 -0.22 2j4zA1 ARG 179 H -0.13 0.26 -0.11 -0.55 8.46 7.93 2j4zA1 ARG 179 HA -0.28 0.06 0.34 -0.75 4.34 3.71 2j4zA1 ARG 179 HB2 -0.14 -0.02 0.06 -0.04 1.90 1.77 2j4zA1 ARG 179 HB3 -0.04 0.09 0.09 -0.04 1.80 1.89 2j4zA1 ARG 179 HG2 -0.03 -0.01 -0.06 -0.04 1.67 1.53 2j4zA1 ARG 179 HG3 -0.07 0.02 -0.28 -0.04 1.67 1.29 2j4zA1 ARG 179 HD2 -0.50 -0.02 0.03 -0.04 3.22 2.69 2j4zA1 ARG 179 HD3 -0.28 -0.02 -0.04 -0.04 3.22 2.85 2j4zA1 ARG 180 H 0.00 0.33 -0.28 -0.55 8.46 7.96 2j4zA1 ARG 180 HA 0.01 0.06 0.45 -0.75 4.34 4.11 2j4zA1 ARG 180 HB2 0.06 0.07 0.09 -0.04 1.90 2.08 2j4zA1 ARG 180 HB3 0.04 0.00 0.02 -0.04 1.80 1.82 2j4zA1 ARG 180 HG2 0.03 -0.01 -0.01 -0.04 1.67 1.64 2j4zA1 ARG 180 HG3 0.05 0.12 0.04 -0.04 1.67 1.84 2j4zA1 ARG 180 HD2 0.07 -0.05 -0.14 -0.04 3.22 3.05 2j4zA1 ARG 180 HD3 0.03 0.01 -0.04 -0.04 3.22 3.18 2j4zA1 GLU 181 H 0.06 0.50 -0.18 -0.55 8.60 8.44 2j4zA1 GLU 181 HA 0.15 0.03 0.47 -0.75 4.29 4.18 2j4zA1 GLU 181 HB2 0.23 0.07 0.15 -0.04 2.09 2.51 2j4zA1 GLU 181 HB3 0.18 0.07 0.11 -0.04 1.99 2.30 2j4zA1 GLU 181 HG2 0.47 -0.01 -0.04 -0.04 2.34 2.72 2j4zA1 GLU 181 HG3 0.21 -0.04 0.08 -0.04 2.34 2.54 2j4zA1 VAL 182 H -0.01 0.53 -0.15 -0.55 8.24 8.06 2j4zA1 VAL 182 HA -0.15 0.03 0.38 -0.75 4.13 3.64 2j4zA1 VAL 182 HB -0.31 0.05 0.04 -0.04 2.12 1.85 2j4zA1 VAL 182 HG13 -0.30 -0.01 -0.11 -0.04 0.97 0.51 2j4zA1 VAL 182 HG23 -0.19 0.07 -0.06 -0.04 0.95 0.72 2j4zA1 GLU 183 H -0.02 0.29 -0.55 -0.55 8.60 7.78 2j4zA1 GLU 183 HA 0.05 0.05 0.42 -0.75 4.29 4.06 2j4zA1 GLU 183 HB2 -0.01 0.05 0.13 -0.04 2.09 2.22 2j4zA1 GLU 183 HB3 0.02 0.21 0.19 -0.04 1.99 2.37 2j4zA1 GLU 183 HG2 0.02 -0.06 -0.02 -0.04 2.34 2.24 2j4zA1 GLU 183 HG3 0.03 0.01 -0.22 -0.04 2.34 2.12 2j4zA1 ILE 184 H 0.07 0.34 -0.05 -0.55 8.25 8.06 2j4zA1 ILE 184 HA 0.07 0.07 0.47 -0.75 4.18 4.04 2j4zA1 ILE 184 HB 0.09 0.04 0.13 -0.04 1.89 2.11 2j4zA1 ILE 184 HG12 0.02 -0.01 0.02 -0.04 1.49 1.48 2j4zA1 ILE 184 HG13 0.05 0.11 0.11 -0.04 1.21 1.43 2j4zA1 ILE 184 HG23 0.05 -0.00 -0.09 -0.04 0.93 0.85 2j4zA1 ILE 184 HD13 0.04 -0.01 -0.00 -0.04 0.88 0.86 2j4zA1 GLN 185 H 0.09 0.48 -0.12 -0.55 8.47 8.37 2j4zA1 GLN 185 HA 0.07 0.01 0.38 -0.75 4.36 4.06 2j4zA1 GLN 185 HB2 -0.13 0.06 0.11 -0.04 2.15 2.14 2j4zA1 GLN 185 HB3 -0.15 -0.02 -0.02 -0.04 2.02 1.79 2j4zA1 GLN 185 HG2 0.24 0.02 0.06 -0.04 2.40 2.68 2j4zA1 GLN 185 HG3 0.37 -0.04 -0.03 -0.04 2.39 2.65 2j4zA1 GLN 185 HE21 0.08 -0.03 -0.03 -0.04 6.97 6.94 2j4zA1 GLN 185 HE22 0.01 0.07 0.07 -0.04 7.69 7.80 2j4zA1 SER 186 H 0.01 0.38 -0.39 -0.55 8.46 7.92 2j4zA1 SER 186 HA -0.08 0.11 0.42 -0.75 4.49 4.19 2j4zA1 SER 186 HB2 -0.03 0.04 0.14 -0.04 3.95 4.06 2j4zA1 SER 186 HB3 0.08 0.13 0.16 -0.04 3.93 4.26 2j4zA1 HIS 187 H 0.21 0.32 -0.53 -0.55 8.41 7.86 2j4zA1 HIS 187 HA 0.05 0.16 0.86 -0.75 4.63 4.95 2j4zA1 HIS 187 HB2 0.04 0.09 0.08 -0.04 3.26 3.43 2j4zA1 HIS 187 HB3 0.05 -0.09 0.16 -0.04 3.20 3.27 2j4zA1 HIS 187 HD2 0.04 -0.05 0.02 -0.04 6.97 6.93 2j4zA1 HIS 187 HE1 0.04 -0.07 -0.01 -0.04 7.75 7.68 2j4zA1 LEU 188 H 0.10 0.53 -0.20 -0.55 8.37 8.25 2j4zA1 LEU 188 HA 0.33 0.04 0.67 -0.75 4.35 4.63 2j4zA1 LEU 188 HB2 0.11 0.10 0.21 -0.04 1.64 2.02 2j4zA1 LEU 188 HB3 0.29 -0.10 -0.03 -0.04 1.64 1.76 2j4zA1 LEU 188 HG 0.11 0.29 0.02 -0.04 1.64 2.02 2j4zA1 LEU 188 HD13 0.11 -0.04 -0.07 -0.04 0.93 0.88 2j4zA1 LEU 188 HD23 0.06 -0.01 -0.08 -0.04 0.89 0.82 2j4zA1 ARG 189 H 0.29 0.24 0.10 -0.55 8.46 8.54 2j4zA1 ARG 189 HA -0.01 0.18 0.92 -0.75 4.34 4.67 2j4zA1 ARG 189 HB2 0.04 -0.02 0.14 -0.04 1.90 2.03 2j4zA1 ARG 189 HB3 -0.02 -0.06 -0.01 -0.04 1.80 1.67 2j4zA1 ARG 189 HG2 -0.01 0.12 -0.30 -0.04 1.67 1.44 2j4zA1 ARG 189 HG3 0.06 0.10 -0.29 -0.04 1.67 1.50 2j4zA1 ARG 189 HD2 0.03 -0.05 -0.02 -0.04 3.22 3.14 2j4zA1 ARG 189 HD3 -0.01 -0.06 -0.04 -0.04 3.22 3.07 2j4zA1 HIS 190 H -0.03 0.43 0.09 -0.55 8.41 8.36 2j4zA1 HIS 190 HA -0.29 0.17 0.67 -0.75 4.63 4.43 2j4zA1 HIS 190 HB2 -0.88 0.10 -0.26 -0.04 3.26 2.18 2j4zA1 HIS 190 HB3 -0.19 -0.03 -0.07 -0.04 3.20 2.87 2j4zA1 HIS 190 HD2 -0.38 0.05 0.01 -0.04 6.97 6.60 2j4zA1 HIS 190 HE1 -0.02 0.07 -0.05 -0.04 7.75 7.71 2j4zA1 PRO 191 HA -0.06 0.10 0.46 -0.51 4.44 4.43 2j4zA1 PRO 191 HB2 -0.08 0.03 0.02 -0.04 2.28 2.21 2j4zA1 PRO 191 HB3 -0.12 0.02 0.10 -0.04 2.02 1.98 2j4zA1 PRO 191 HG2 -0.40 0.02 0.04 -0.04 2.03 1.65 2j4zA1 PRO 191 HG3 -0.28 0.06 0.06 -0.04 2.03 1.82 2j4zA1 PRO 191 HD2 -1.34 0.11 0.21 -0.04 3.68 2.62 2j4zA1 PRO 191 HD3 -0.37 0.15 0.13 -0.04 3.65 3.52 2j4zA1 ASN 192 H 0.58 0.05 -0.38 -0.55 8.53 8.23 2j4zA1 ASN 192 HA 0.07 0.44 0.95 -0.75 4.76 5.47 2j4zA1 ASN 192 HB2 0.22 -0.03 0.03 -0.04 2.88 3.06 2j4zA1 ASN 192 HB3 0.09 -0.05 0.08 -0.04 2.79 2.87 2j4zA1 ASN 192 HD21 0.05 -0.07 -0.06 -0.04 7.03 6.91 2j4zA1 ASN 192 HD22 0.06 0.48 0.05 -0.04 7.74 8.29 2j4zA1 ILE 193 H 0.11 0.53 -0.32 -0.55 8.25 8.02 2j4zA1 ILE 193 HA 0.03 0.06 0.90 -0.75 4.18 4.42 2j4zA1 ILE 193 HB 0.06 0.00 0.02 -0.04 1.89 1.94 2j4zA1 ILE 193 HG12 0.01 0.01 -0.10 -0.04 1.49 1.37 2j4zA1 ILE 193 HG13 -0.05 -0.17 -0.34 -0.04 1.21 0.61 2j4zA1 ILE 193 HG23 0.05 0.05 -0.15 -0.04 0.93 0.85 2j4zA1 ILE 193 HD13 0.11 0.02 -0.12 -0.04 0.88 0.85 2j4zA1 LEU 194 H 0.01 0.52 -0.02 -0.55 8.37 8.34 2j4zA1 LEU 194 HA -0.01 -0.04 0.29 -0.75 4.35 3.83 2j4zA1 LEU 194 HB2 -0.01 -0.02 -0.20 -0.04 1.64 1.37 2j4zA1 LEU 194 HB3 -0.01 -0.01 0.01 -0.04 1.64 1.58 2j4zA1 LEU 194 HG -0.01 0.04 -0.13 -0.04 1.64 1.50 2j4zA1 LEU 194 HD13 -0.01 0.02 -0.21 -0.04 0.93 0.69 2j4zA1 LEU 194 HD23 -0.00 0.01 -0.11 -0.04 0.89 0.74 2j4zA1 ARG 195 H -0.06 0.01 0.20 -0.55 8.46 8.06 2j4zA1 ARG 195 HA -0.15 0.25 0.53 -0.75 4.34 4.22 2j4zA1 ARG 195 HB2 -0.20 0.08 0.12 -0.04 1.90 1.86 2j4zA1 ARG 195 HB3 -0.34 -0.16 0.15 -0.04 1.80 1.42 2j4zA1 ARG 195 HG2 -0.94 -0.07 -0.08 -0.04 1.67 0.55 2j4zA1 ARG 195 HG3 -1.03 -0.07 -0.47 -0.04 1.67 0.06 2j4zA1 ARG 195 HD2 -0.22 0.05 0.02 -0.04 3.22 3.03 2j4zA1 ARG 195 HD3 -0.19 -0.04 0.00 -0.04 3.22 2.96 2j4zA1 LEU 196 H -0.19 0.38 0.11 -0.55 8.37 8.13 2j4zA1 LEU 196 HA -0.11 0.08 0.84 -0.75 4.35 4.40 2j4zA1 LEU 196 HB2 -0.22 0.00 -0.03 -0.04 1.64 1.35 2j4zA1 LEU 196 HB3 -0.17 0.08 0.05 -0.04 1.64 1.57 2j4zA1 LEU 196 HG -0.25 -0.07 -0.07 -0.04 1.64 1.21 2j4zA1 LEU 196 HD13 -0.61 -0.01 -0.07 -0.04 0.93 0.20 2j4zA1 LEU 196 HD23 -0.08 0.02 -0.19 -0.04 0.89 0.60 2j4zA1 TYR 197 H 0.09 0.34 0.16 -0.55 8.29 8.33 2j4zA1 TYR 197 HA 0.05 0.11 0.49 -0.75 4.56 4.45 2j4zA1 TYR 197 HB2 -0.01 -0.06 0.06 -0.04 3.06 3.01 2j4zA1 TYR 197 HB3 0.09 -0.03 -0.06 -0.04 2.98 2.95 2j4zA1 TYR 197 HD2 0.06 0.03 -0.19 -0.04 7.15 7.01 2j4zA1 TYR 197 HE2 0.09 -0.04 -0.07 -0.04 6.85 6.78 2j4zA1 GLY 198 H 0.15 0.14 0.19 -0.55 8.43 8.36 2j4zA1 GLY 198 HA2 0.29 0.28 0.72 -0.51 4.01 4.80 2j4zA1 GLY 198 HA3 0.37 -0.03 0.36 -0.51 4.01 4.20 2j4zA1 TYR 199 H 0.26 0.34 0.24 -0.55 8.29 8.58 2j4zA1 TYR 199 HA -0.05 0.23 0.73 -0.75 4.56 4.72 2j4zA1 TYR 199 HB2 -0.05 0.04 0.13 -0.04 3.06 3.13 2j4zA1 TYR 199 HB3 -0.02 0.08 -0.32 -0.04 2.98 2.68 2j4zA1 TYR 199 HD2 0.05 -0.00 -0.15 -0.04 7.15 7.01 2j4zA1 TYR 199 HE2 0.04 -0.01 -0.07 -0.04 6.85 6.78 2j4zA1 PHE 200 H -0.23 0.56 0.39 -0.55 8.34 8.51 2j4zA1 PHE 200 HA -0.08 0.14 0.60 -0.75 4.62 4.53 2j4zA1 PHE 200 HB2 -0.00 0.02 0.12 -0.04 3.15 3.24 2j4zA1 PHE 200 HB3 0.04 0.13 -0.10 -0.04 3.06 3.09 2j4zA1 PHE 200 HD2 -0.01 0.03 -0.33 -0.04 7.28 6.93 2j4zA1 PHE 200 HE2 -0.71 -0.01 -0.24 -0.04 7.38 6.38 2j4zA1 PHE 200 HZ -0.37 0.05 -0.27 -0.04 7.32 6.70 2j4zA1 HIS 201 H 0.20 0.29 0.26 -0.55 8.41 8.62 2j4zA1 HIS 201 HA 0.34 0.13 0.82 -0.75 4.63 5.17 2j4zA1 HIS 201 HB2 0.10 0.12 0.25 -0.04 3.26 3.69 2j4zA1 HIS 201 HB3 0.13 -0.02 -0.08 -0.04 3.20 3.19 2j4zA1 HIS 201 HD2 0.08 0.08 -0.12 -0.04 6.97 6.96 2j4zA1 HIS 201 HE1 0.10 0.03 -0.02 -0.04 7.75 7.81 2j4zA1 ASP 202 H 0.23 0.59 0.37 -0.55 8.40 9.04 2j4zA1 ASP 202 HA -0.04 0.19 0.65 -0.75 4.63 4.68 2j4zA1 ASP 202 HB2 0.07 -0.08 0.25 -0.04 2.71 2.91 2j4zA1 ASP 202 HB3 0.13 0.11 -0.04 -0.04 2.70 2.85 2j4zA1 ALA 203 H 0.05 0.16 0.18 -0.55 8.40 8.25 2j4zA1 ALA 203 HA 0.07 0.11 0.38 -0.75 4.34 4.15 2j4zA1 ALA 203 HB3 0.05 0.02 0.13 -0.04 1.41 1.56 2j4zA1 THR 204 H 0.07 -0.03 -0.18 -0.55 8.28 7.58 2j4zA1 THR 204 HA 0.06 0.28 1.16 -0.75 4.39 5.14 2j4zA1 THR 204 HB 0.10 -0.05 0.17 -0.04 4.32 4.50 2j4zA1 THR 204 HG23 0.07 0.01 -0.16 -0.04 1.22 1.09 2j4zA1 ARG 205 H 0.03 0.05 0.03 -0.55 8.46 8.03 2j4zA1 ARG 205 HA -0.20 0.20 1.14 -0.75 4.34 4.73 2j4zA1 ARG 205 HB2 -0.30 -0.12 -0.02 -0.04 1.90 1.41 2j4zA1 ARG 205 HB3 -0.81 0.13 0.00 -0.04 1.80 1.09 2j4zA1 ARG 205 HG2 -0.88 0.10 -0.06 -0.04 1.67 0.79 2j4zA1 ARG 205 HG3 -0.28 -0.15 -0.45 -0.04 1.67 0.74 2j4zA1 ARG 205 HD2 -0.51 0.01 -0.11 -0.04 3.22 2.57 2j4zA1 ARG 205 HD3 -0.93 0.04 -0.12 -0.04 3.22 2.16 2j4zA1 VAL 206 H -0.29 0.72 0.39 -0.55 8.24 8.51 2j4zA1 VAL 206 HA 0.04 0.15 1.02 -0.75 4.13 4.58 2j4zA1 VAL 206 HB -0.12 -0.05 0.08 -0.04 2.12 1.99 2j4zA1 VAL 206 HG13 -0.05 0.02 -0.16 -0.04 0.97 0.73 2j4zA1 VAL 206 HG23 -0.04 -0.02 -0.13 -0.04 0.95 0.72 2j4zA1 TYR 207 H -0.03 0.87 0.42 -0.55 8.29 9.00 2j4zA1 TYR 207 HA -0.27 0.35 1.16 -0.75 4.56 5.05 2j4zA1 TYR 207 HB2 -1.96 -0.09 0.03 -0.04 3.06 1.00 2j4zA1 TYR 207 HB3 -0.76 0.03 -0.12 -0.04 2.98 2.09 2j4zA1 TYR 207 HD2 -0.21 0.12 -0.20 -0.04 7.15 6.82 2j4zA1 TYR 207 HE2 0.01 -0.01 -0.17 -0.04 6.85 6.64 2j4zA1 LEU 208 H -0.12 0.71 0.33 -0.55 8.37 8.75 2j4zA1 LEU 208 HA -0.07 0.24 1.03 -0.75 4.35 4.80 2j4zA1 LEU 208 HB2 -0.07 -0.10 0.16 -0.04 1.64 1.60 2j4zA1 LEU 208 HB3 -0.13 0.09 -0.03 -0.04 1.64 1.53 2j4zA1 LEU 208 HG -0.08 -0.02 -0.16 -0.04 1.64 1.34 2j4zA1 LEU 208 HD13 -0.05 0.01 -0.12 -0.04 0.93 0.73 2j4zA1 LEU 208 HD23 -0.12 0.02 -0.18 -0.04 0.89 0.57 2j4zA1 ILE 209 H -0.04 0.62 0.17 -0.55 8.25 8.44 2j4zA1 ILE 209 HA -0.17 0.15 0.75 -0.75 4.18 4.15 2j4zA1 ILE 209 HB -0.03 -0.30 0.18 -0.04 1.89 1.70 2j4zA1 ILE 209 HG12 -0.46 0.02 -0.22 -0.04 1.49 0.79 2j4zA1 ILE 209 HG13 -0.12 0.03 -0.31 -0.04 1.21 0.77 2j4zA1 ILE 209 HG23 -0.24 0.01 -0.14 -0.04 0.93 0.52 2j4zA1 ILE 209 HD13 -0.33 -0.02 -0.17 -0.04 0.88 0.32 2j4zA1 LEU 210 H 0.00 0.77 0.40 -0.55 8.37 9.00 2j4zA1 LEU 210 HA 0.11 0.21 1.18 -0.75 4.35 5.08 2j4zA1 LEU 210 HB2 0.03 -0.03 0.01 -0.04 1.64 1.61 2j4zA1 LEU 210 HB3 0.02 0.09 0.03 -0.04 1.64 1.74 2j4zA1 LEU 210 HG -0.05 -0.13 -0.55 -0.04 1.64 0.88 2j4zA1 LEU 210 HD13 -0.00 -0.02 -0.13 -0.04 0.93 0.74 2j4zA1 LEU 210 HD23 -0.11 0.01 -0.11 -0.04 0.89 0.64 2j4zA1 GLU 211 H 0.10 0.67 0.28 -0.55 8.60 9.11 2j4zA1 GLU 211 HA 0.44 0.02 0.50 -0.75 4.29 4.50 2j4zA1 GLU 211 HB2 0.19 0.01 0.17 -0.04 2.09 2.42 2j4zA1 GLU 211 HB3 0.06 -0.03 0.18 -0.04 1.99 2.16 2j4zA1 GLU 211 HG2 0.07 0.01 -0.43 -0.04 2.34 1.95 2j4zA1 GLU 211 HG3 0.19 0.02 0.04 -0.04 2.34 2.55 2j4zA1 TYR 212 H 0.16 0.20 0.22 -0.55 8.29 8.31 2j4zA1 TYR 212 HA -0.01 0.12 0.67 -0.75 4.56 4.58 2j4zA1 TYR 212 HB2 -0.08 -0.04 -0.26 -0.04 3.06 2.63 2j4zA1 TYR 212 HB3 -0.12 0.06 0.06 -0.04 2.98 2.94 2j4zA1 TYR 212 HD2 -0.05 -0.01 -0.12 -0.04 7.15 6.92 2j4zA1 TYR 212 HE2 -0.02 -0.01 -0.08 -0.04 6.85 6.70 2j4zA1 ALA 213 H -0.34 0.21 0.01 -0.55 8.40 7.73 2j4zA1 ALA 213 HA -0.22 0.11 0.71 -0.75 4.34 4.18 2j4zA1 ALA 213 HB3 -0.14 0.03 -0.07 -0.04 1.41 1.19 2j4zA1 PRO 214 HA -0.50 0.07 0.41 -0.51 4.44 3.91 2j4zA1 PRO 214 HB2 -0.02 0.05 -0.01 -0.04 2.28 2.26 2j4zA1 PRO 214 HB3 0.01 0.01 0.06 -0.04 2.02 2.06 2j4zA1 PRO 214 HG2 -0.09 0.08 -0.17 -0.04 2.03 1.82 2j4zA1 PRO 214 HG3 -0.04 -0.01 0.06 -0.04 2.03 2.00 2j4zA1 PRO 214 HD2 -0.17 0.01 0.27 -0.04 3.68 3.75 2j4zA1 PRO 214 HD3 -0.23 0.30 0.10 -0.04 3.65 3.78 2j4zA1 LEU 215 H -0.13 0.43 -0.23 -0.55 8.37 7.89 2j4zA1 LEU 215 HA -0.04 0.16 0.74 -0.75 4.35 4.46 2j4zA1 LEU 215 HB2 -0.05 0.04 -0.12 -0.04 1.64 1.47 2j4zA1 LEU 215 HB3 -0.03 -0.03 0.06 -0.04 1.64 1.60 2j4zA1 LEU 215 HG -0.04 -0.05 -0.22 -0.04 1.64 1.28 2j4zA1 LEU 215 HD13 -0.02 0.01 -0.09 -0.04 0.93 0.78 2j4zA1 LEU 215 HD23 -0.02 0.02 -0.12 -0.04 0.89 0.72 2j4zA1 GLY 216 H -0.12 0.25 -0.29 -0.55 8.43 7.72 2j4zA1 GLY 216 HA2 -0.05 0.05 0.31 -0.51 4.01 3.81 2j4zA1 GLY 216 HA3 -0.01 0.06 0.41 -0.51 4.01 3.96 2j4zA1 THR 217 H 0.03 0.07 0.18 -0.55 8.28 8.01 2j4zA1 THR 217 HA 0.01 0.34 0.76 -0.75 4.39 4.75 2j4zA1 THR 217 HB 0.12 0.01 0.16 -0.04 4.32 4.56 2j4zA1 THR 217 HG23 0.02 0.03 0.04 -0.04 1.22 1.27 2j4zA1 VAL 218 H 0.05 0.74 0.27 -0.55 8.24 8.76 2j4zA1 VAL 218 HA 0.06 0.11 0.38 -0.75 4.13 3.92 2j4zA1 VAL 218 HB 0.13 0.07 0.15 -0.04 2.12 2.43 2j4zA1 VAL 218 HG13 0.21 -0.01 -0.13 -0.04 0.97 1.00 2j4zA1 VAL 218 HG23 -0.27 0.03 -0.17 -0.04 0.95 0.50 2j4zA1 TYR 219 H 0.25 0.31 -0.16 -0.55 8.29 8.13 2j4zA1 TYR 219 HA 0.12 0.07 0.24 -0.75 4.56 4.25 2j4zA1 TYR 219 HB2 0.08 -0.10 -0.52 -0.04 3.06 2.49 2j4zA1 TYR 219 HB3 0.07 0.01 -0.07 -0.04 2.98 2.95 2j4zA1 TYR 219 HD2 0.07 -0.01 -0.12 -0.04 7.15 7.05 2j4zA1 TYR 219 HE2 0.05 0.09 -0.06 -0.04 6.85 6.89 2j4zA1 ARG 220 H 0.15 0.14 -0.32 -0.55 8.46 7.88 2j4zA1 ARG 220 HA -0.08 0.06 0.43 -0.75 4.34 4.00 2j4zA1 ARG 220 HB2 0.09 -0.07 0.10 -0.04 1.90 1.98 2j4zA1 ARG 220 HB3 0.06 0.18 0.06 -0.04 1.80 2.06 2j4zA1 ARG 220 HG2 0.02 0.03 -0.13 -0.04 1.67 1.55 2j4zA1 ARG 220 HG3 0.02 -0.02 0.06 -0.04 1.67 1.69 2j4zA1 ARG 220 HD2 0.05 -0.04 0.03 -0.04 3.22 3.22 2j4zA1 ARG 220 HD3 0.03 0.06 -0.01 -0.04 3.22 3.26 2j4zA1 GLU 221 H 0.11 0.33 -0.31 -0.55 8.60 8.18 2j4zA1 GLU 221 HA 0.09 0.04 0.45 -0.75 4.29 4.12 2j4zA1 GLU 221 HB2 0.25 0.14 0.14 -0.04 2.09 2.58 2j4zA1 GLU 221 HB3 0.25 -0.04 -0.03 -0.04 1.99 2.12 2j4zA1 GLU 221 HG2 0.06 0.06 -0.00 -0.04 2.34 2.41 2j4zA1 GLU 221 HG3 0.03 0.00 -0.04 -0.04 2.34 2.30 2j4zA1 LEU 222 H 0.12 0.48 -0.20 -0.55 8.37 8.22 2j4zA1 LEU 222 HA -0.41 0.03 0.25 -0.75 4.35 3.46 2j4zA1 LEU 222 HB2 -0.12 -0.02 -0.02 -0.04 1.64 1.44 2j4zA1 LEU 222 HB3 -0.16 0.08 0.06 -0.04 1.64 1.58 2j4zA1 LEU 222 HG -0.19 0.09 -0.20 -0.04 1.64 1.29 2j4zA1 LEU 222 HD13 -0.75 0.00 -0.10 -0.04 0.93 0.04 2j4zA1 LEU 222 HD23 0.10 -0.02 -0.14 -0.04 0.89 0.79 2j4zA1 GLN 223 H -0.21 0.40 -0.23 -0.55 8.47 7.89 2j4zA1 GLN 223 HA -0.16 0.08 0.45 -0.75 4.36 3.98 2j4zA1 GLN 223 HB2 -0.16 0.09 0.13 -0.04 2.15 2.17 2j4zA1 GLN 223 HB3 -0.12 -0.04 0.01 -0.04 2.02 1.83 2j4zA1 GLN 223 HG2 -0.36 -0.02 0.03 -0.04 2.40 2.01 2j4zA1 GLN 223 HG3 -0.83 0.18 0.04 -0.04 2.39 1.74 2j4zA1 GLN 223 HE21 0.08 -0.01 0.01 -0.04 6.97 7.01 2j4zA1 GLN 223 HE22 -0.05 -0.00 0.01 -0.04 7.69 7.60 2j4zA1 LYS 224 H -0.03 0.37 -0.25 -0.55 8.42 7.96 2j4zA1 LYS 224 HA -0.02 0.01 0.46 -0.75 4.32 4.02 2j4zA1 LYS 224 HB2 0.01 0.02 0.14 -0.04 1.87 1.99 2j4zA1 LYS 224 HB3 0.03 0.10 0.17 -0.04 1.79 2.06 2j4zA1 LYS 224 HG2 0.02 0.01 -0.15 -0.04 1.46 1.30 2j4zA1 LYS 224 HG3 0.00 -0.04 0.06 -0.04 1.46 1.44 2j4zA1 LYS 224 HD2 0.01 -0.05 -0.01 -0.04 1.69 1.61 2j4zA1 LYS 224 HD3 0.01 -0.02 0.00 -0.04 1.68 1.63 2j4zA1 LYS 224 HE2 0.04 0.05 0.03 -0.04 2.99 3.06 2j4zA1 LYS 224 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.95 2j4zA1 LEU 225 H 0.02 0.43 -0.16 -0.55 8.37 8.12 2j4zA1 LEU 225 HA 0.01 0.12 0.78 -0.75 4.35 4.50 2j4zA1 LEU 225 HB2 0.11 0.07 0.02 -0.04 1.64 1.79 2j4zA1 LEU 225 HB3 0.06 -0.03 0.17 -0.04 1.64 1.80 2j4zA1 LEU 225 HG 0.11 0.12 0.05 -0.04 1.64 1.88 2j4zA1 LEU 225 HD13 0.20 -0.04 -0.01 -0.04 0.93 1.05 2j4zA1 LEU 225 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.80 2j4zA1 SER 226 H -0.07 0.32 -0.29 -0.55 8.46 7.88 2j4zA1 SER 226 HA -0.07 0.01 0.39 -0.75 4.49 4.07 2j4zA1 SER 226 HB2 -0.04 -0.08 0.09 -0.04 3.95 3.88 2j4zA1 SER 226 HB3 -0.04 -0.05 -0.20 -0.04 3.93 3.60 2j4zA1 LYS 227 H -0.08 0.40 -0.65 -0.55 8.42 7.54 2j4zA1 LYS 227 HA -0.23 0.09 0.39 -0.75 4.32 3.81 2j4zA1 LYS 227 HB2 -0.03 0.13 -0.15 -0.04 1.87 1.78 2j4zA1 LYS 227 HB3 -0.05 0.14 -0.40 -0.04 1.79 1.44 2j4zA1 LYS 227 HG2 -0.11 -0.03 -0.17 -0.04 1.46 1.11 2j4zA1 LYS 227 HG3 -0.11 -0.08 -0.27 -0.04 1.46 0.95 2j4zA1 LYS 227 HD2 -0.38 0.16 -0.02 -0.04 1.69 1.41 2j4zA1 LYS 227 HD3 -0.15 0.04 -0.10 -0.04 1.68 1.42 2j4zA1 LYS 227 HE2 -0.26 -0.01 -0.04 -0.04 2.99 2.64 2j4zA1 LYS 227 HE3 -0.38 -0.06 -0.06 -0.04 2.99 2.45 2j4zA1 PHE 228 H -0.01 0.85 0.29 -0.55 8.34 8.92 2j4zA1 PHE 228 HA -0.03 0.12 0.91 -0.75 4.62 4.87 2j4zA1 PHE 228 HB2 0.02 0.02 -0.02 -0.04 3.15 3.13 2j4zA1 PHE 228 HB3 -0.09 -0.12 0.02 -0.04 3.06 2.83 2j4zA1 PHE 228 HD2 -0.24 0.03 -0.12 -0.04 7.28 6.90 2j4zA1 PHE 228 HE2 -0.19 0.01 -0.27 -0.04 7.38 6.89 2j4zA1 PHE 228 HZ 0.02 0.06 -0.12 -0.04 7.32 7.24 2j4zA1 ASP 229 H 0.09 0.07 0.17 -0.55 8.40 8.18 2j4zA1 ASP 229 HA 0.06 0.21 0.55 -0.75 4.63 4.69 2j4zA1 ASP 229 HB2 0.00 -0.05 0.20 -0.04 2.71 2.83 2j4zA1 ASP 229 HB3 0.00 0.13 0.15 -0.04 2.70 2.94 2j4zA1 GLU 230 H 0.08 0.18 0.19 -0.55 8.60 8.51 2j4zA1 GLU 230 HA 0.29 0.12 0.39 -0.75 4.29 4.33 2j4zA1 GLU 230 HB2 0.08 0.01 0.16 -0.04 2.09 2.31 2j4zA1 GLU 230 HB3 0.07 0.05 0.02 -0.04 1.99 2.08 2j4zA1 GLU 230 HG2 0.59 0.02 0.08 -0.04 2.34 2.99 2j4zA1 GLU 230 HG3 0.24 0.05 0.13 -0.04 2.34 2.72 2j4zA1 GLN 231 H -0.07 0.06 -0.09 -0.55 8.47 7.83 2j4zA1 GLN 231 HA -0.23 0.34 0.51 -0.75 4.36 4.23 2j4zA1 GLN 231 HB2 -0.12 -0.11 0.08 -0.04 2.15 1.96 2j4zA1 GLN 231 HB3 -0.14 0.12 0.05 -0.04 2.02 2.00 2j4zA1 GLN 231 HG2 -0.09 0.03 0.05 -0.04 2.40 2.35 2j4zA1 GLN 231 HG3 -0.13 0.17 0.09 -0.04 2.39 2.48 2j4zA1 GLN 231 HE21 -0.02 -0.05 0.04 -0.04 6.97 6.90 2j4zA1 GLN 231 HE22 -0.10 0.15 -0.00 -0.04 7.69 7.69 2j4zA1 ARG 232 H -0.16 0.04 -0.21 -0.55 8.46 7.58 2j4zA1 ARG 232 HA -0.45 0.12 0.47 -0.75 4.34 3.72 2j4zA1 ARG 232 HB2 -0.31 -0.01 0.09 -0.04 1.90 1.63 2j4zA1 ARG 232 HB3 -0.28 0.04 0.08 -0.04 1.80 1.60 2j4zA1 ARG 232 HG2 -1.15 0.01 -0.18 -0.04 1.67 0.30 2j4zA1 ARG 232 HG3 -0.94 0.03 0.03 -0.04 1.67 0.75 2j4zA1 ARG 232 HD2 -0.38 -0.00 0.02 -0.04 3.22 2.81 2j4zA1 ARG 232 HD3 -0.67 -0.02 0.00 -0.04 3.22 2.50 2j4zA1 THR 233 H -0.07 0.45 -0.22 -0.55 8.28 7.89 2j4zA1 THR 233 HA 0.01 0.03 0.35 -0.75 4.39 4.03 2j4zA1 THR 233 HB 0.35 0.01 0.06 -0.04 4.32 4.70 2j4zA1 THR 233 HG23 0.58 -0.01 -0.12 -0.04 1.22 1.63 2j4zA1 ALA 234 H -0.18 0.70 -0.08 -0.55 8.40 8.30 2j4zA1 ALA 234 HA -0.06 -0.04 0.33 -0.75 4.34 3.82 2j4zA1 ALA 234 HB3 -0.76 0.05 -0.04 -0.04 1.41 0.61 2j4zA1 THR 235 H -0.21 0.40 -0.49 -0.55 8.28 7.43 2j4zA1 THR 235 HA -0.08 0.04 0.48 -0.75 4.39 4.08 2j4zA1 THR 235 HB -0.34 0.15 0.22 -0.04 4.32 4.31 2j4zA1 THR 235 HG23 -0.08 0.00 -0.04 -0.04 1.22 1.06 2j4zA1 TYR 236 H -0.18 0.55 -0.02 -0.55 8.29 8.09 2j4zA1 TYR 236 HA 0.02 -0.02 0.45 -0.75 4.56 4.25 2j4zA1 TYR 236 HB2 0.05 0.11 0.13 -0.04 3.06 3.31 2j4zA1 TYR 236 HB3 0.18 -0.08 -0.02 -0.04 2.98 3.02 2j4zA1 TYR 236 HD2 -0.52 -0.06 -0.04 -0.04 7.15 6.49 2j4zA1 TYR 236 HE2 -0.66 0.08 -0.04 -0.04 6.85 6.18 2j4zA1 ILE 237 H 0.24 0.63 -0.20 -0.55 8.25 8.37 2j4zA1 ILE 237 HA 0.23 -0.01 0.40 -0.75 4.18 4.04 2j4zA1 ILE 237 HB 0.21 0.12 0.10 -0.04 1.89 2.28 2j4zA1 ILE 237 HG12 0.41 0.26 -0.03 -0.04 1.49 2.09 2j4zA1 ILE 237 HG13 0.36 -0.05 -0.06 -0.04 1.21 1.42 2j4zA1 ILE 237 HG23 0.17 -0.02 -0.13 -0.04 0.93 0.91 2j4zA1 ILE 237 HD13 0.27 -0.02 -0.07 -0.04 0.88 1.02 2j4zA1 THR 238 H 0.09 0.61 -0.15 -0.55 8.28 8.27 2j4zA1 THR 238 HA 0.07 -0.02 0.40 -0.75 4.39 4.09 2j4zA1 THR 238 HB 0.03 0.16 0.19 -0.04 4.32 4.66 2j4zA1 THR 238 HG23 0.03 -0.01 -0.13 -0.04 1.22 1.08 2j4zA1 GLU 239 H 0.10 0.58 -0.11 -0.55 8.60 8.63 2j4zA1 GLU 239 HA 0.10 0.01 0.42 -0.75 4.29 4.06 2j4zA1 GLU 239 HB2 0.14 0.10 0.21 -0.04 2.09 2.50 2j4zA1 GLU 239 HB3 0.10 -0.04 0.04 -0.04 1.99 2.05 2j4zA1 GLU 239 HG2 0.07 -0.04 0.04 -0.04 2.34 2.37 2j4zA1 GLU 239 HG3 0.07 0.08 0.06 -0.04 2.34 2.51 2j4zA1 LEU 240 H 0.13 0.62 -0.17 -0.55 8.37 8.40 2j4zA1 LEU 240 HA 0.04 0.01 0.42 -0.75 4.35 4.07 2j4zA1 LEU 240 HB2 0.14 0.17 0.11 -0.04 1.64 2.03 2j4zA1 LEU 240 HB3 0.10 0.05 0.06 -0.04 1.64 1.81 2j4zA1 LEU 240 HG 0.04 -0.08 -0.04 -0.04 1.64 1.52 2j4zA1 LEU 240 HD13 0.06 -0.01 -0.05 -0.04 0.93 0.89 2j4zA1 LEU 240 HD23 0.08 -0.00 -0.06 -0.04 0.89 0.87 2j4zA1 ALA 241 H 0.08 0.78 -0.06 -0.55 8.40 8.65 2j4zA1 ALA 241 HA 0.01 -0.05 0.42 -0.75 4.34 3.97 2j4zA1 ALA 241 HB3 0.06 0.02 0.10 -0.04 1.41 1.56 2j4zA1 ASN 242 H 0.06 0.66 -0.22 -0.55 8.53 8.48 2j4zA1 ASN 242 HA 0.06 -0.01 0.43 -0.75 4.76 4.49 2j4zA1 ASN 242 HB2 0.12 0.16 0.17 -0.04 2.88 3.29 2j4zA1 ASN 242 HB3 0.24 -0.07 -0.04 -0.04 2.79 2.89 2j4zA1 ASN 242 HD21 0.06 -0.00 -0.04 -0.04 7.03 7.00 2j4zA1 ASN 242 HD22 0.08 -0.01 -0.05 -0.04 7.74 7.72 2j4zA1 ALA 243 H -0.06 0.55 -0.14 -0.55 8.40 8.20 2j4zA1 ALA 243 HA -0.83 -0.00 0.40 -0.75 4.34 3.15 2j4zA1 ALA 243 HB3 -0.16 0.02 0.04 -0.04 1.41 1.27 2j4zA1 LEU 244 H -0.07 0.79 -0.07 -0.55 8.37 8.47 2j4zA1 LEU 244 HA -0.13 0.00 0.41 -0.75 4.35 3.88 2j4zA1 LEU 244 HB2 -0.12 0.10 0.14 -0.04 1.64 1.72 2j4zA1 LEU 244 HB3 -0.39 -0.10 0.01 -0.04 1.64 1.12 2j4zA1 LEU 244 HG -0.03 0.20 0.03 -0.04 1.64 1.80 2j4zA1 LEU 244 HD13 0.00 -0.03 -0.10 -0.04 0.93 0.76 2j4zA1 LEU 244 HD23 -0.01 -0.03 -0.03 -0.04 0.89 0.77 2j4zA1 SER 245 H -0.06 0.61 -0.22 -0.55 8.46 8.25 2j4zA1 SER 245 HA -0.04 -0.08 0.39 -0.75 4.49 4.00 2j4zA1 SER 245 HB2 0.02 -0.00 0.12 -0.04 3.95 4.05 2j4zA1 SER 245 HB3 0.05 0.21 0.20 -0.04 3.93 4.35 2j4zA1 TYR 246 H 0.10 0.51 -0.18 -0.55 8.29 8.17 2j4zA1 TYR 246 HA 0.04 -0.01 0.39 -0.75 4.56 4.22 2j4zA1 TYR 246 HB2 0.08 -0.01 0.12 -0.04 3.06 3.21 2j4zA1 TYR 246 HB3 -0.15 0.16 0.18 -0.04 2.98 3.12 2j4zA1 TYR 246 HD2 0.03 -0.01 -0.06 -0.04 7.15 7.08 2j4zA1 TYR 246 HE2 0.07 -0.03 -0.05 -0.04 6.85 6.79 2j4zA1 CYS 247 H 0.05 0.58 -0.10 -0.55 8.50 8.48 2j4zA1 CYS 247 HA -0.15 0.02 0.45 -0.75 4.58 4.15 2j4zA1 CYS 247 HB2 0.02 0.02 0.18 -0.04 2.97 3.15 2j4zA1 CYS 247 HB3 0.08 0.06 -0.00 -0.04 2.97 3.06 2j4zA1 HIS 248 H 0.05 0.82 0.03 -0.55 8.41 8.76 2j4zA1 HIS 248 HA -0.00 0.02 0.34 -0.75 4.63 4.23 2j4zA1 HIS 248 HB2 0.02 0.13 0.17 -0.04 3.26 3.54 2j4zA1 HIS 248 HB3 0.01 -0.10 0.03 -0.04 3.20 3.10 2j4zA1 HIS 248 HD2 0.03 0.34 0.10 -0.04 6.97 7.39 2j4zA1 HIS 248 HE1 0.04 0.02 0.04 -0.04 7.75 7.80 2j4zA1 SER 249 H 0.03 0.51 -0.33 -0.55 8.46 8.12 2j4zA1 SER 249 HA 0.02 -0.01 0.47 -0.75 4.49 4.21 2j4zA1 SER 249 HB2 0.00 -0.09 0.12 -0.04 3.95 3.94 2j4zA1 SER 249 HB3 0.03 -0.00 0.12 -0.04 3.93 4.04 2j4zA1 LYS 250 H -0.10 0.46 -0.35 -0.55 8.42 7.87 2j4zA1 LYS 250 HA -0.08 0.09 0.71 -0.75 4.32 4.29 2j4zA1 LYS 250 HB2 -0.14 0.02 0.11 -0.04 1.87 1.81 2j4zA1 LYS 250 HB3 -0.11 -0.05 0.15 -0.04 1.79 1.74 2j4zA1 LYS 250 HG2 -0.51 0.33 0.08 -0.04 1.46 1.33 2j4zA1 LYS 250 HG3 -0.63 -0.07 -0.01 -0.04 1.46 0.71 2j4zA1 LYS 250 HD2 -0.14 0.02 -0.09 -0.04 1.69 1.44 2j4zA1 LYS 250 HD3 -0.30 -0.04 -0.03 -0.04 1.68 1.28 2j4zA1 LYS 250 HE2 -0.08 -0.01 0.04 -0.04 2.99 2.90 2j4zA1 LYS 250 HE3 -0.03 -0.05 0.02 -0.04 2.99 2.89 2j4zA1 ARG 251 H -0.01 0.38 -0.53 -0.55 8.46 7.75 2j4zA1 ARG 251 HA -0.02 0.03 0.28 -0.75 4.34 3.88 2j4zA1 ARG 251 HB2 -0.02 0.27 -0.11 -0.04 1.90 2.00 2j4zA1 ARG 251 HB3 -0.01 -0.10 0.23 -0.04 1.80 1.87 2j4zA1 ARG 251 HG2 -0.02 -0.07 -0.02 -0.04 1.67 1.53 2j4zA1 ARG 251 HG3 -0.02 -0.04 0.02 -0.04 1.67 1.59 2j4zA1 ARG 251 HD2 -0.01 -0.07 -0.05 -0.04 3.22 3.05 2j4zA1 ARG 251 HD3 -0.02 0.12 -0.28 -0.04 3.22 3.00 2j4zA1 VAL 252 H 0.02 0.60 -0.24 -0.55 8.24 8.07 2j4zA1 VAL 252 HA 0.04 0.11 0.70 -0.75 4.13 4.23 2j4zA1 VAL 252 HB 0.05 -0.09 0.02 -0.04 2.12 2.06 2j4zA1 VAL 252 HG13 0.08 -0.01 -0.17 -0.04 0.97 0.82 2j4zA1 VAL 252 HG23 0.01 0.03 -0.15 -0.04 0.95 0.80 2j4zA1 ILE 253 H 0.06 0.26 0.07 -0.55 8.25 8.10 2j4zA1 ILE 253 HA 0.19 0.18 0.81 -0.75 4.18 4.61 2j4zA1 ILE 253 HB -0.03 -0.20 0.10 -0.04 1.89 1.71 2j4zA1 ILE 253 HG12 0.02 0.12 -0.08 -0.04 1.49 1.50 2j4zA1 ILE 253 HG13 0.10 0.07 -0.36 -0.04 1.21 0.97 2j4zA1 ILE 253 HG23 -0.21 0.01 -0.35 -0.04 0.93 0.34 2j4zA1 ILE 253 HD13 -0.02 -0.02 -0.13 -0.04 0.88 0.66 2j4zA1 HIS 254 H 0.16 0.04 0.09 -0.55 8.41 8.16 2j4zA1 HIS 254 HA 0.06 -0.04 0.32 -0.75 4.63 4.22 2j4zA1 HIS 254 HB2 0.09 -0.08 -0.17 -0.04 3.26 3.06 2j4zA1 HIS 254 HB3 0.05 0.18 0.11 -0.04 3.20 3.50 2j4zA1 HIS 254 HD2 -0.01 0.05 -0.51 -0.04 6.97 6.45 2j4zA1 HIS 254 HE1 -0.39 0.05 0.02 -0.04 7.75 7.38 2j4zA1 ARG 255 H 0.16 0.04 0.02 -0.55 8.46 8.13 2j4zA1 ARG 255 HA 0.08 0.28 0.76 -0.75 4.34 4.71 2j4zA1 ARG 255 HB2 0.07 -0.05 -0.14 -0.04 1.90 1.73 2j4zA1 ARG 255 HB3 0.06 0.03 -0.10 -0.04 1.80 1.76 2j4zA1 ARG 255 HG2 0.13 -0.17 -0.32 -0.04 1.67 1.27 2j4zA1 ARG 255 HG3 0.08 0.04 -0.19 -0.04 1.67 1.55 2j4zA1 ARG 255 HD2 0.09 0.22 -0.65 -0.04 3.22 2.85 2j4zA1 ARG 255 HD3 0.10 0.01 -0.46 -0.04 3.22 2.84 2j4zA1 ASP 256 H 0.01 0.28 0.06 -0.55 8.40 8.19 2j4zA1 ASP 256 HA -0.04 0.12 0.70 -0.75 4.63 4.66 2j4zA1 ASP 256 HB2 -0.06 0.08 0.07 -0.04 2.71 2.77 2j4zA1 ASP 256 HB3 -0.05 0.02 0.23 -0.04 2.70 2.85 2j4zA1 ILE 257 H -0.07 0.29 -0.10 -0.55 8.25 7.82 2j4zA1 ILE 257 HA -0.05 0.23 0.76 -0.75 4.18 4.37 2j4zA1 ILE 257 HB 0.00 0.03 0.05 -0.04 1.89 1.93 2j4zA1 ILE 257 HG12 0.03 0.04 -0.03 -0.04 1.49 1.48 2j4zA1 ILE 257 HG13 -0.03 0.01 -0.11 -0.04 1.21 1.04 2j4zA1 ILE 257 HG23 0.03 -0.00 -0.21 -0.04 0.93 0.70 2j4zA1 ILE 257 HD13 0.06 -0.02 -0.22 -0.04 0.88 0.67 2j4zA1 LYS 258 H -0.22 0.15 -0.39 -0.55 8.42 7.40 2j4zA1 LYS 258 HA -0.37 0.24 0.56 -0.75 4.32 4.01 2j4zA1 LYS 258 HB2 -0.19 0.02 0.05 -0.04 1.87 1.71 2j4zA1 LYS 258 HB3 -0.72 0.02 -0.03 -0.04 1.79 1.02 2j4zA1 LYS 258 HG2 -0.19 0.06 -0.07 -0.04 1.46 1.21 2j4zA1 LYS 258 HG3 -0.12 -0.17 -0.15 -0.04 1.46 0.98 2j4zA1 LYS 258 HD2 -0.13 -0.01 -0.06 -0.04 1.69 1.45 2j4zA1 LYS 258 HD3 -0.18 -0.01 -0.06 -0.04 1.68 1.38 2j4zA1 LYS 258 HE2 -0.10 0.01 -0.09 -0.04 2.99 2.78 2j4zA1 LYS 258 HE3 -0.10 0.04 -0.08 -0.04 2.99 2.81 2j4zA1 PRO 259 HA 0.23 0.12 0.34 -0.51 4.44 4.62 2j4zA1 PRO 259 HB2 0.40 -0.01 -0.00 -0.04 2.28 2.62 2j4zA1 PRO 259 HB3 0.41 0.06 -0.09 -0.04 2.02 2.36 2j4zA1 PRO 259 HG2 0.24 0.12 -0.03 -0.04 2.03 2.32 2j4zA1 PRO 259 HG3 0.20 0.12 -0.01 -0.04 2.03 2.29 2j4zA1 PRO 259 HD2 0.10 0.05 0.13 -0.04 3.68 3.92 2j4zA1 PRO 259 HD3 0.08 0.20 0.16 -0.04 3.65 4.05 2j4zA1 GLU 260 H -0.05 0.11 -0.28 -0.55 8.60 7.83 2j4zA1 GLU 260 HA 0.03 0.00 0.40 -0.75 4.29 3.97 2j4zA1 GLU 260 HB2 -0.11 0.00 -0.03 -0.04 2.09 1.91 2j4zA1 GLU 260 HB3 -0.07 0.10 0.11 -0.04 1.99 2.09 2j4zA1 GLU 260 HG2 -0.54 -0.01 -0.02 -0.04 2.34 1.73 2j4zA1 GLU 260 HG3 -1.12 -0.01 -0.03 -0.04 2.34 1.13 2j4zA1 ASN 261 H -0.01 0.42 -0.49 -0.55 8.53 7.91 2j4zA1 ASN 261 HA 0.01 0.23 0.77 -0.75 4.76 5.01 2j4zA1 ASN 261 HB2 -0.02 0.06 0.05 -0.04 2.88 2.93 2j4zA1 ASN 261 HB3 0.01 -0.06 0.00 -0.04 2.79 2.70 2j4zA1 ASN 261 HD21 0.07 -0.04 -0.11 -0.04 7.03 6.91 2j4zA1 ASN 261 HD22 0.12 0.18 -0.27 -0.04 7.74 7.73 2j4zA1 LEU 262 H 0.04 0.37 -0.30 -0.55 8.37 7.92 2j4zA1 LEU 262 HA -0.00 0.17 0.97 -0.75 4.35 4.73 2j4zA1 LEU 262 HB2 0.05 -0.08 0.13 -0.04 1.64 1.70 2j4zA1 LEU 262 HB3 -0.03 0.04 -0.04 -0.04 1.64 1.57 2j4zA1 LEU 262 HG 0.05 0.15 -0.32 -0.04 1.64 1.48 2j4zA1 LEU 262 HD13 0.19 -0.00 -0.18 -0.04 0.93 0.90 2j4zA1 LEU 262 HD23 0.02 0.02 -0.22 -0.04 0.89 0.67 2j4zA1 LEU 263 H -0.03 0.67 0.27 -0.55 8.37 8.73 2j4zA1 LEU 263 HA -0.04 0.22 0.82 -0.75 4.35 4.59 2j4zA1 LEU 263 HB2 -0.05 0.04 -0.02 -0.04 1.64 1.57 2j4zA1 LEU 263 HB3 -0.08 -0.02 0.01 -0.04 1.64 1.51 2j4zA1 LEU 263 HG -0.06 -0.04 -0.36 -0.04 1.64 1.14 2j4zA1 LEU 263 HD13 -0.06 -0.01 -0.11 -0.04 0.93 0.72 2j4zA1 LEU 263 HD23 -0.07 0.01 -0.22 -0.04 0.89 0.56 2j4zA1 LEU 264 H -0.08 0.37 0.09 -0.55 8.37 8.21 2j4zA1 LEU 264 HA -0.06 0.32 0.84 -0.75 4.35 4.69 2j4zA1 LEU 264 HB2 -0.05 0.00 -0.19 -0.04 1.64 1.36 2j4zA1 LEU 264 HB3 -0.04 -0.01 -0.16 -0.04 1.64 1.40 2j4zA1 LEU 264 HG -0.08 -0.09 -0.59 -0.04 1.64 0.83 2j4zA1 LEU 264 HD13 -0.02 0.02 -0.22 -0.04 0.93 0.66 2j4zA1 LEU 264 HD23 -0.14 0.04 -0.28 -0.04 0.89 0.47 2j4zA1 GLY 265 H -0.03 0.74 0.12 -0.55 8.43 8.71 2j4zA1 GLY 265 HA2 -0.07 0.13 0.56 -0.51 4.01 4.11 2j4zA1 GLY 265 HA3 -0.03 0.04 0.36 -0.51 4.01 3.87 2j4zA1 SER 266 H -0.02 0.21 0.20 -0.55 8.46 8.30 2j4zA1 SER 266 HA -0.03 0.12 0.38 -0.75 4.49 4.21 2j4zA1 SER 266 HB2 0.00 0.05 0.09 -0.04 3.95 4.06 2j4zA1 SER 266 HB3 -0.00 0.03 0.17 -0.04 3.93 4.09 2j4zA1 ALA 267 H -0.01 -0.01 -0.28 -0.55 8.40 7.56 2j4zA1 ALA 267 HA -0.01 0.23 0.73 -0.75 4.34 4.54 2j4zA1 ALA 267 HB3 -0.01 0.01 0.05 -0.04 1.41 1.41 2j4zA1 GLY 268 H -0.02 0.45 -0.49 -0.55 8.43 7.83 2j4zA1 GLY 268 HA2 -0.01 0.07 0.18 -0.51 4.01 3.74 2j4zA1 GLY 268 HA3 -0.01 0.13 0.49 -0.51 4.01 4.11 2j4zA1 GLU 269 H -0.00 -0.13 -0.24 -0.55 8.60 7.68 2j4zA1 GLU 269 HA 0.05 0.16 0.51 -0.75 4.29 4.26 2j4zA1 GLU 269 HB2 0.02 0.10 0.00 -0.04 2.09 2.17 2j4zA1 GLU 269 HB3 0.01 0.02 -0.03 -0.04 1.99 1.95 2j4zA1 GLU 269 HG2 0.00 -0.02 -0.20 -0.04 2.34 2.08 2j4zA1 GLU 269 HG3 0.00 0.15 -0.07 -0.04 2.34 2.39 2j4zA1 LEU 270 H 0.07 0.11 0.14 -0.55 8.37 8.15 2j4zA1 LEU 270 HA -0.09 0.19 0.49 -0.75 4.35 4.19 2j4zA1 LEU 270 HB2 -0.01 0.01 0.12 -0.04 1.64 1.72 2j4zA1 LEU 270 HB3 0.04 -0.03 0.08 -0.04 1.64 1.69 2j4zA1 LEU 270 HG -0.02 -0.01 -0.22 -0.04 1.64 1.34 2j4zA1 LEU 270 HD13 -0.31 0.04 -0.04 -0.04 0.93 0.57 2j4zA1 LEU 270 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.83 2j4zA1 LYS 271 H -0.05 0.66 0.20 -0.55 8.42 8.67 2j4zA1 LYS 271 HA 0.01 0.16 0.54 -0.75 4.32 4.28 2j4zA1 LYS 271 HB2 -0.03 -0.11 -0.14 -0.04 1.87 1.54 2j4zA1 LYS 271 HB3 -0.01 -0.03 -0.23 -0.04 1.79 1.48 2j4zA1 LYS 271 HG2 -0.02 0.08 -0.56 -0.04 1.46 0.92 2j4zA1 LYS 271 HG3 -0.03 -0.10 -0.34 -0.04 1.46 0.95 2j4zA1 LYS 271 HD2 0.00 -0.08 -0.25 -0.04 1.69 1.33 2j4zA1 LYS 271 HD3 0.01 0.22 -0.14 -0.04 1.68 1.73 2j4zA1 LYS 271 HE2 -0.00 -0.06 -0.10 -0.04 2.99 2.79 2j4zA1 LYS 271 HE3 -0.00 -0.13 -0.08 -0.04 2.99 2.73 2j4zA1 ILE 272 H 0.02 0.82 0.12 -0.55 8.25 8.66 2j4zA1 ILE 272 HA 0.01 0.05 0.54 -0.75 4.18 4.03 2j4zA1 ILE 272 HB 0.03 -0.01 0.22 -0.04 1.89 2.09 2j4zA1 ILE 272 HG12 0.02 -0.04 -0.03 -0.04 1.49 1.40 2j4zA1 ILE 272 HG13 0.02 0.20 0.08 -0.04 1.21 1.47 2j4zA1 ILE 272 HG23 0.03 -0.05 -0.13 -0.04 0.93 0.74 2j4zA1 ILE 272 HD13 0.00 -0.02 -0.03 -0.04 0.88 0.78 2j4zA1 ALA 273 H 0.02 0.64 0.27 -0.55 8.40 8.78 2j4zA1 ALA 273 HA 0.05 0.15 0.80 -0.75 4.34 4.59 2j4zA1 ALA 273 HB3 -0.00 0.01 0.00 -0.04 1.41 1.38 2j4zA1 ASP 274 H 0.08 0.20 -0.15 -0.55 8.40 7.97 2j4zA1 ASP 274 HA 0.06 0.18 0.90 -0.75 4.63 5.01 2j4zA1 ASP 274 HB2 0.01 -0.02 0.22 -0.04 2.71 2.87 2j4zA1 ASP 274 HB3 0.02 0.08 0.03 -0.04 2.70 2.79 2j4zA1 PHE 275 H 0.25 0.18 -0.42 -0.55 8.34 7.79 2j4zA1 PHE 275 HA 0.09 0.09 0.36 -0.75 4.62 4.41 2j4zA1 PHE 275 HB2 0.06 0.02 -0.02 -0.04 3.15 3.17 2j4zA1 PHE 275 HB3 0.09 0.04 -0.07 -0.04 3.06 3.07 2j4zA1 PHE 275 HD2 0.08 0.04 -0.12 -0.04 7.28 7.24 2j4zA1 PHE 275 HE2 -0.20 -0.01 -0.30 -0.04 7.38 6.83 2j4zA1 PHE 275 HZ -0.43 -0.00 -0.13 -0.04 7.32 6.71 2j4zA1 GLY 276 H 0.11 0.02 -0.39 -0.55 8.43 7.62 2j4zA1 GLY 276 HA2 -0.11 -0.03 0.13 -0.51 4.01 3.49 2j4zA1 GLY 276 HA3 -0.34 0.15 0.52 -0.51 4.01 3.83 2j4zA1 TRP 277 H -0.76 0.11 0.06 -0.55 7.97 6.84 2j4zA1 TRP 277 HA -0.77 -0.02 0.29 -0.75 4.62 3.37 2j4zA1 TRP 277 HB2 -0.16 0.20 0.03 -0.04 3.23 3.25 2j4zA1 TRP 277 HB3 -0.30 -0.05 -0.01 -0.04 3.23 2.83 2j4zA1 TRP 277 HD1 -1.21 0.16 -0.71 -0.04 7.22 5.42 2j4zA1 TRP 277 HE1 -0.82 0.09 -0.05 -0.04 10.20 9.38 2j4zA1 TRP 277 HE3 -0.46 -0.04 -0.06 -0.04 7.59 6.99 2j4zA1 TRP 277 HZ2 -0.18 0.08 -0.24 -0.04 7.44 7.06 2j4zA1 TRP 277 HZ3 -0.05 -0.01 -0.04 -0.04 7.13 6.99 2j4zA1 TRP 277 HH2 -0.08 -0.02 -0.10 -0.04 7.19 6.95 2j4zA1 SER 278 H -0.18 0.05 -0.02 -0.55 8.46 7.76 2j4zA1 SER 278 HA 0.03 0.06 0.23 -0.75 4.49 4.07 2j4zA1 SER 278 HB2 -0.07 0.07 0.12 -0.04 3.95 4.03 2j4zA1 SER 278 HB3 0.13 -0.10 0.18 -0.04 3.93 4.10 2j4zA1 VAL 279 H 0.23 0.20 0.04 -0.55 8.24 8.16 2j4zA1 VAL 279 HA 0.14 0.11 0.57 -0.75 4.13 4.20 2j4zA1 VAL 279 HB 0.10 -0.11 -0.31 -0.04 2.12 1.77 2j4zA1 VAL 279 HG13 0.18 0.07 -0.40 -0.04 0.97 0.78 2j4zA1 VAL 279 HG23 0.18 0.01 -0.24 -0.04 0.95 0.85 2j4zA1 HIS 280 H -0.06 0.19 0.01 -0.55 8.41 8.01 2j4zA1 HIS 280 HA 0.01 0.02 0.30 -0.75 4.63 4.20 2j4zA1 HIS 280 HB2 0.01 -0.04 0.08 -0.04 3.26 3.27 2j4zA1 HIS 280 HB3 0.01 0.11 -0.33 -0.04 3.20 2.95 2j4zA1 HIS 280 HD2 0.04 -0.22 -0.19 -0.04 6.97 6.55 2j4zA1 HIS 280 HE1 -0.03 0.02 -0.12 -0.04 7.75 7.58 2j4zA1 ALA 281 H 0.10 0.09 0.11 -0.55 8.40 8.15 2j4zA1 ALA 281 HA -0.13 0.18 0.78 -0.75 4.34 4.42 2j4zA1 ALA 281 HB3 0.01 0.01 0.16 -0.04 1.41 1.55 2j4zA1 PRO 282 HA 0.05 0.04 0.35 -0.51 4.44 4.38 2j4zA1 PRO 282 HB2 0.17 0.06 0.16 -0.04 2.28 2.62 2j4zA1 PRO 282 HB3 0.13 0.03 0.11 -0.04 2.02 2.25 2j4zA1 PRO 282 HG2 -0.18 0.00 -0.09 -0.04 2.03 1.72 2j4zA1 PRO 282 HG3 0.11 0.03 0.05 -0.04 2.03 2.17 2j4zA1 PRO 282 HD2 -0.09 0.04 0.50 -0.04 3.68 4.09 2j4zA1 PRO 282 HD3 0.24 0.20 -0.33 -0.04 3.65 3.71 2j4zA1 SER 283 H -0.09 0.27 -0.09 -0.55 8.46 8.00 2j4zA1 SER 283 HA 0.02 0.21 0.69 -0.75 4.49 4.65 2j4zA1 SER 283 HB2 -0.04 -0.05 0.10 -0.04 3.95 3.92 2j4zA1 SER 283 HB3 -0.30 0.12 -0.16 -0.04 3.93 3.55 2j4zA1 SER 284 H 0.02 0.19 0.06 -0.55 8.46 8.19 2j4zA1 SER 284 HA -0.01 0.24 0.80 -0.75 4.49 4.77 2j4zA1 SER 284 HB2 0.02 0.02 0.14 -0.04 3.95 4.09 2j4zA1 SER 284 HB3 0.02 0.01 -0.00 -0.04 3.93 3.92 2j4zA1 ARG 285 H -0.03 0.06 -0.35 -0.55 8.46 7.58 2j4zA1 ARG 285 HA 0.04 0.04 0.42 -0.75 4.34 4.09 2j4zA1 ARG 285 HB2 -0.02 -0.02 0.03 -0.04 1.90 1.84 2j4zA1 ARG 285 HB3 -0.03 0.01 -0.07 -0.04 1.80 1.67 2j4zA1 ARG 285 HG2 0.05 -0.01 -0.00 -0.04 1.67 1.67 2j4zA1 ARG 285 HG3 0.07 0.05 0.02 -0.04 1.67 1.78 2j4zA1 ARG 285 HD2 0.03 -0.02 -0.09 -0.04 3.22 3.09 2j4zA1 ARG 285 HD3 0.17 -0.03 -0.05 -0.04 3.22 3.27 2j4zA1 ARG 286 H 0.02 0.08 0.18 -0.55 8.46 8.19 2j4zA1 ARG 286 HA -0.07 0.11 0.46 -0.75 4.34 4.09 2j4zA1 ARG 286 HB2 -0.19 0.06 0.15 -0.04 1.90 1.88 2j4zA1 ARG 286 HB3 -0.25 -0.10 0.18 -0.04 1.80 1.59 2j4zA1 ARG 286 HG2 -1.16 -0.03 -0.01 -0.04 1.67 0.43 2j4zA1 ARG 286 HG3 -0.32 -0.05 -0.29 -0.04 1.67 0.96 2j4zA1 ARG 286 HD2 -0.14 -0.04 0.15 -0.04 3.22 3.15 2j4zA1 ARG 286 HD3 -0.22 -0.02 0.05 -0.04 3.22 3.00 2j4zA1 THR 287 H -0.08 0.23 0.25 -0.55 8.28 8.14 2j4zA1 THR 287 HA -0.06 0.04 1.01 -0.75 4.39 4.63 2j4zA1 THR 287 HB -0.07 0.04 -0.03 -0.04 4.32 4.21 2j4zA1 THR 287 HG23 -0.06 0.05 -0.17 -0.04 1.22 0.99 2j4zA1 THR 288 H -0.06 0.50 0.17 -0.55 8.28 8.35 2j4zA1 THR 288 HA -0.05 0.20 0.81 -0.75 4.39 4.59 2j4zA1 THR 288 HB -0.04 -0.04 0.16 -0.04 4.32 4.36 2j4zA1 THR 288 HG23 -0.03 0.02 -0.23 -0.04 1.22 0.93 2j4zA1 LEU 289 H -0.06 0.20 0.16 -0.55 8.37 8.12 2j4zA1 LEU 289 HA -0.09 0.11 0.43 -0.75 4.35 4.05 2j4zA1 LEU 289 HB2 -0.06 -0.01 0.10 -0.04 1.64 1.63 2j4zA1 LEU 289 HB3 -0.07 0.06 0.07 -0.04 1.64 1.67 2j4zA1 LEU 289 HG -0.05 -0.04 0.08 -0.04 1.64 1.58 2j4zA1 LEU 289 HD13 -0.04 0.01 0.03 -0.04 0.93 0.89 2j4zA1 LEU 289 HD23 -0.07 0.01 0.01 -0.04 0.89 0.81 2j4zA1 CYS 290 H -0.06 -0.01 -0.34 -0.55 8.50 7.54 2j4zA1 CYS 290 HA -0.08 0.19 0.63 -0.75 4.58 4.57 2j4zA1 CYS 290 HB2 -0.07 -0.01 -0.08 -0.04 2.97 2.77 2j4zA1 CYS 290 HB3 -0.08 0.03 0.05 -0.04 2.97 2.93 2j4zA1 GLY 291 H -0.06 0.28 -0.40 -0.55 8.43 7.70 2j4zA1 GLY 291 HA2 -0.06 0.04 0.19 -0.51 4.01 3.67 2j4zA1 GLY 291 HA3 0.01 0.26 0.78 -0.51 4.01 4.55 2j4zA1 THR 292 H 0.00 0.15 0.06 -0.55 8.28 7.94 2j4zA1 THR 292 HA -0.01 0.10 0.58 -0.75 4.39 4.31 2j4zA1 THR 292 HB 0.07 -0.03 0.07 -0.04 4.32 4.39 2j4zA1 THR 292 HG23 0.07 -0.02 -0.12 -0.04 1.22 1.12 2j4zA1 LEU 293 H -0.01 0.49 0.26 -0.55 8.37 8.56 2j4zA1 LEU 293 HA 0.06 0.08 0.23 -0.75 4.35 3.97 2j4zA1 LEU 293 HB2 -0.12 0.02 -0.01 -0.04 1.64 1.49 2j4zA1 LEU 293 HB3 -0.08 -0.06 0.08 -0.04 1.64 1.54 2j4zA1 LEU 293 HG 0.17 0.03 -0.04 -0.04 1.64 1.75 2j4zA1 LEU 293 HD13 -0.54 -0.02 -0.03 -0.04 0.93 0.29 2j4zA1 LEU 293 HD23 -0.01 0.01 -0.24 -0.04 0.89 0.61 2j4zA1 ASP 294 H 0.11 0.08 -0.15 -0.55 8.40 7.90 2j4zA1 ASP 294 HA 0.11 0.09 0.26 -0.75 4.63 4.34 2j4zA1 ASP 294 HB2 0.25 -0.05 -0.04 -0.04 2.71 2.82 2j4zA1 ASP 294 HB3 -0.02 0.03 -0.03 -0.04 2.70 2.63 2j4zA1 TYR 295 H 0.33 0.18 -0.55 -0.55 8.29 7.71 2j4zA1 TYR 295 HA 0.22 0.19 0.71 -0.75 4.56 4.92 2j4zA1 TYR 295 HB2 0.06 -0.02 -0.02 -0.04 3.06 3.04 2j4zA1 TYR 295 HB3 0.11 -0.01 0.04 -0.04 2.98 3.08 2j4zA1 TYR 295 HD2 0.03 -0.06 -0.09 -0.04 7.15 7.00 2j4zA1 TYR 295 HE2 -0.04 0.03 -0.10 -0.04 6.85 6.70 2j4zA1 LEU 296 H 0.14 0.35 -0.24 -0.55 8.37 8.07 2j4zA1 LEU 296 HA -0.03 0.02 0.34 -0.75 4.35 3.93 2j4zA1 LEU 296 HB2 0.01 0.09 0.03 -0.04 1.64 1.72 2j4zA1 LEU 296 HB3 -0.12 0.00 -0.14 -0.04 1.64 1.34 2j4zA1 LEU 296 HG 0.04 0.08 -0.41 -0.04 1.64 1.31 2j4zA1 LEU 296 HD13 0.01 -0.02 -0.16 -0.04 0.93 0.72 2j4zA1 LEU 296 HD23 -0.05 -0.04 -0.33 -0.04 0.89 0.43 2j4zA1 PRO 297 HA -2.23 0.27 0.55 -0.51 4.44 2.51 2j4zA1 PRO 297 HB2 -0.80 -0.04 0.10 -0.04 2.28 1.50 2j4zA1 PRO 297 HB3 -0.96 0.10 0.15 -0.04 2.02 1.27 2j4zA1 PRO 297 HG2 -0.41 -0.25 0.07 -0.04 2.03 1.40 2j4zA1 PRO 297 HG3 -0.36 -0.00 0.12 -0.04 2.03 1.75 2j4zA1 PRO 297 HD2 -0.25 0.04 0.20 -0.04 3.68 3.63 2j4zA1 PRO 297 HD3 -0.20 0.27 0.23 -0.04 3.65 3.90 2j4zA1 PRO 298 HA -0.43 0.05 0.30 -0.51 4.44 3.86 2j4zA1 PRO 298 HB2 -0.85 0.04 0.12 -0.04 2.28 1.55 2j4zA1 PRO 298 HB3 -0.53 0.09 0.09 -0.04 2.02 1.62 2j4zA1 PRO 298 HG2 -0.57 0.08 0.06 -0.04 2.03 1.56 2j4zA1 PRO 298 HG3 -0.58 0.27 0.00 -0.04 2.03 1.68 2j4zA1 PRO 298 HD2 -1.38 0.11 0.19 -0.04 3.68 2.56 2j4zA1 PRO 298 HD3 -3.23 0.19 0.19 -0.04 3.65 0.75 2j4zA1 GLU 299 H -0.47 0.17 -0.18 -0.55 8.60 7.58 2j4zA1 GLU 299 HA -0.20 0.07 0.33 -0.75 4.29 3.74 2j4zA1 GLU 299 HB2 -0.11 0.09 -0.14 -0.04 2.09 1.89 2j4zA1 GLU 299 HB3 -0.18 0.04 0.07 -0.04 1.99 1.87 2j4zA1 GLU 299 HG2 -0.26 -0.08 -0.04 -0.04 2.34 1.91 2j4zA1 GLU 299 HG3 -0.10 -0.05 -0.07 -0.04 2.34 2.08 2j4zA1 MET 300 H -0.30 0.24 -0.30 -0.55 8.47 7.56 2j4zA1 MET 300 HA -0.12 0.17 0.55 -0.75 4.52 4.36 2j4zA1 MET 300 HB2 -0.24 0.13 0.05 -0.04 2.15 2.04 2j4zA1 MET 300 HB3 -0.17 -0.04 0.02 -0.04 2.03 1.81 2j4zA1 MET 300 HG2 -0.24 0.02 -0.01 -0.04 2.63 2.37 2j4zA1 MET 300 HG3 -0.29 -0.09 0.01 -0.04 2.56 2.14 2j4zA1 MET 300 HE3 -0.18 0.06 0.06 -0.04 2.10 2.00 2j4zA1 ILE 301 H -0.25 0.35 -0.24 -0.55 8.25 7.56 2j4zA1 ILE 301 HA -0.25 0.04 0.51 -0.75 4.18 3.73 2j4zA1 ILE 301 HB -0.21 0.10 0.05 -0.04 1.89 1.79 2j4zA1 ILE 301 HG12 -0.21 -0.09 -0.10 -0.04 1.49 1.05 2j4zA1 ILE 301 HG13 -0.23 0.16 -0.22 -0.04 1.21 0.88 2j4zA1 ILE 301 HG23 -0.19 0.01 -0.08 -0.04 0.93 0.63 2j4zA1 ILE 301 HD13 -0.04 -0.02 -0.08 -0.04 0.88 0.70 2j4zA1 GLU 302 H -0.17 0.51 -0.10 -0.55 8.60 8.30 2j4zA1 GLU 302 HA -0.09 0.12 0.64 -0.75 4.29 4.21 2j4zA1 GLU 302 HB2 -0.10 0.04 0.05 -0.04 2.09 2.04 2j4zA1 GLU 302 HB3 -0.04 -0.05 0.11 -0.04 1.99 1.96 2j4zA1 GLU 302 HG2 -0.03 -0.03 -0.01 -0.04 2.34 2.23 2j4zA1 GLU 302 HG3 -0.09 -0.01 -0.05 -0.04 2.34 2.15 2j4zA1 GLY 303 H -0.11 0.19 -0.60 -0.55 8.43 7.37 2j4zA1 GLY 303 HA2 -0.07 0.01 0.22 -0.51 4.01 3.67 2j4zA1 GLY 303 HA3 -0.06 0.05 0.47 -0.51 4.01 3.95 2j4zA1 ARG 304 H -0.07 0.60 0.07 -0.55 8.46 8.50 2j4zA1 ARG 304 HA -0.03 0.14 0.92 -0.75 4.34 4.61 2j4zA1 ARG 304 HB2 -0.07 -0.02 0.07 -0.04 1.90 1.84 2j4zA1 ARG 304 HB3 -0.04 0.02 0.04 -0.04 1.80 1.79 2j4zA1 ARG 304 HG2 -0.03 0.01 -0.04 -0.04 1.67 1.57 2j4zA1 ARG 304 HG3 -0.04 0.06 -0.22 -0.04 1.67 1.43 2j4zA1 ARG 304 HD2 -0.02 -0.03 0.00 -0.04 3.22 3.13 2j4zA1 ARG 304 HD3 -0.01 -0.01 -0.03 -0.04 3.22 3.13 2j4zA1 MET 305 H -0.03 0.09 0.14 -0.55 8.47 8.12 2j4zA1 MET 305 HA -0.00 0.07 0.52 -0.75 4.52 4.35 2j4zA1 MET 305 HB2 -0.06 -0.03 0.12 -0.04 2.15 2.14 2j4zA1 MET 305 HB3 -0.12 0.06 0.06 -0.04 2.03 1.99 2j4zA1 MET 305 HG2 -0.05 0.02 0.02 -0.04 2.63 2.58 2j4zA1 MET 305 HG3 -0.04 0.00 0.03 -0.04 2.56 2.51 2j4zA1 MET 305 HE3 -0.07 0.00 0.01 -0.04 2.10 2.01 2j4zA1 HIS 306 H -0.33 0.12 0.16 -0.55 8.41 7.81 2j4zA1 HIS 306 HA -0.07 0.19 0.88 -0.75 4.63 4.88 2j4zA1 HIS 306 HB2 -0.10 -0.07 0.16 -0.04 3.26 3.21 2j4zA1 HIS 306 HB3 -0.10 0.04 -0.04 -0.04 3.20 3.06 2j4zA1 HIS 306 HD2 0.06 -0.03 -0.16 -0.04 6.97 6.80 2j4zA1 HIS 306 HE1 0.02 0.02 0.01 -0.04 7.75 7.76 2j4zA1 ASP 307 H 0.05 0.14 0.20 -0.55 8.40 8.24 2j4zA1 ASP 307 HA -0.06 0.25 0.65 -0.75 4.63 4.72 2j4zA1 ASP 307 HB2 -0.05 -0.05 0.20 -0.04 2.71 2.76 2j4zA1 ASP 307 HB3 -0.05 0.17 -0.10 -0.04 2.70 2.67 2j4zA1 GLU 308 H -0.08 0.27 0.15 -0.55 8.60 8.39 2j4zA1 GLU 308 HA -0.07 0.02 0.41 -0.75 4.29 3.89 2j4zA1 GLU 308 HB2 -0.83 0.03 0.16 -0.04 2.09 1.41 2j4zA1 GLU 308 HB3 -0.29 0.09 0.13 -0.04 1.99 1.88 2j4zA1 GLU 308 HG2 -0.09 0.02 -0.23 -0.04 2.34 2.00 2j4zA1 GLU 308 HG3 -0.25 0.08 0.00 -0.04 2.34 2.13 2j4zA1 LYS 309 H -0.01 0.06 -0.49 -0.55 8.42 7.43 2j4zA1 LYS 309 HA 0.08 0.13 0.49 -0.75 4.32 4.26 2j4zA1 LYS 309 HB2 0.01 -0.09 0.00 -0.04 1.87 1.75 2j4zA1 LYS 309 HB3 0.05 0.15 0.11 -0.04 1.79 2.06 2j4zA1 LYS 309 HG2 0.02 -0.13 -0.04 -0.04 1.46 1.26 2j4zA1 LYS 309 HG3 0.03 0.02 -0.23 -0.04 1.46 1.25 2j4zA1 LYS 309 HD2 0.07 0.15 0.08 -0.04 1.69 1.96 2j4zA1 LYS 309 HD3 0.07 -0.12 -0.02 -0.04 1.68 1.56 2j4zA1 LYS 309 HE2 0.05 -0.13 -0.03 -0.04 2.99 2.83 2j4zA1 LYS 309 HE3 0.05 -0.00 0.01 -0.04 2.99 3.00 2j4zA1 VAL 310 H -0.01 0.45 -0.20 -0.55 8.24 7.93 2j4zA1 VAL 310 HA -0.03 0.11 0.52 -0.75 4.13 3.98 2j4zA1 VAL 310 HB -0.21 0.01 0.13 -0.04 2.12 2.01 2j4zA1 VAL 310 HG13 -0.38 0.02 -0.03 -0.04 0.97 0.54 2j4zA1 VAL 310 HG23 -0.20 -0.01 0.11 -0.04 0.95 0.81 2j4zA1 ASP 311 H 0.08 0.37 -0.21 -0.55 8.40 8.09 2j4zA1 ASP 311 HA 0.10 0.05 0.47 -0.75 4.63 4.50 2j4zA1 ASP 311 HB2 0.28 0.23 0.19 -0.04 2.71 3.37 2j4zA1 ASP 311 HB3 0.14 0.02 0.06 -0.04 2.70 2.88 2j4zA1 LEU 312 H 0.14 0.25 -0.25 -0.55 8.37 7.96 2j4zA1 LEU 312 HA 0.09 0.02 0.50 -0.75 4.35 4.21 2j4zA1 LEU 312 HB2 0.13 0.18 0.19 -0.04 1.64 2.10 2j4zA1 LEU 312 HB3 0.10 0.05 0.04 -0.04 1.64 1.79 2j4zA1 LEU 312 HG 0.14 -0.15 0.02 -0.04 1.64 1.62 2j4zA1 LEU 312 HD13 0.10 -0.01 -0.03 -0.04 0.93 0.94 2j4zA1 LEU 312 HD23 0.08 -0.04 -0.09 -0.04 0.89 0.81 2j4zA1 TRP 313 H 0.27 0.28 -0.10 -0.55 7.97 7.88 2j4zA1 TRP 313 HA -0.00 0.26 0.45 -0.75 4.62 4.57 2j4zA1 TRP 313 HB2 -0.03 0.07 0.18 -0.04 3.23 3.41 2j4zA1 TRP 313 HB3 -0.04 0.07 0.25 -0.04 3.23 3.47 2j4zA1 TRP 313 HD1 -0.02 0.09 -0.28 -0.04 7.22 6.97 2j4zA1 TRP 313 HE1 -0.07 0.09 -0.43 -0.04 10.20 9.76 2j4zA1 TRP 313 HE3 -0.02 0.16 0.01 -0.04 7.59 7.70 2j4zA1 TRP 313 HZ2 -0.56 0.02 -0.04 -0.04 7.44 6.81 2j4zA1 TRP 313 HZ3 0.02 0.11 -0.43 -0.04 7.13 6.79 2j4zA1 TRP 313 HH2 -0.16 0.06 0.01 -0.04 7.19 7.06 2j4zA1 SER 314 H 0.26 0.48 -0.09 -0.55 8.46 8.56 2j4zA1 SER 314 HA 0.27 0.05 0.40 -0.75 4.49 4.47 2j4zA1 SER 314 HB2 0.14 0.08 0.16 -0.04 3.95 4.30 2j4zA1 SER 314 HB3 0.20 -0.12 0.01 -0.04 3.93 3.98 2j4zA1 LEU 315 H 0.07 0.46 -0.33 -0.55 8.37 8.03 2j4zA1 LEU 315 HA 0.04 -0.03 0.40 -0.75 4.35 4.01 2j4zA1 LEU 315 HB2 0.06 0.09 0.15 -0.04 1.64 1.91 2j4zA1 LEU 315 HB3 0.03 0.20 0.12 -0.04 1.64 1.96 2j4zA1 LEU 315 HG 0.06 -0.04 -0.06 -0.04 1.64 1.55 2j4zA1 LEU 315 HD13 0.08 -0.01 0.01 -0.04 0.93 0.97 2j4zA1 LEU 315 HD23 0.06 0.00 -0.02 -0.04 0.89 0.89 2j4zA1 GLY 316 H -0.11 0.51 -0.28 -0.55 8.43 8.00 2j4zA1 GLY 316 HA2 -0.14 -0.04 0.44 -0.51 4.01 3.76 2j4zA1 GLY 316 HA3 -0.30 0.13 0.26 -0.51 4.01 3.59 2j4zA1 VAL 317 H -0.38 0.58 -0.07 -0.55 8.24 7.81 2j4zA1 VAL 317 HA -0.49 0.03 0.44 -0.75 4.13 3.36 2j4zA1 VAL 317 HB -0.44 0.07 0.12 -0.04 2.12 1.83 2j4zA1 VAL 317 HG13 -0.94 -0.04 -0.14 -0.04 0.97 -0.19 2j4zA1 VAL 317 HG23 -0.50 0.07 0.01 -0.04 0.95 0.49 2j4zA1 LEU 318 H -0.05 0.69 -0.14 -0.55 8.37 8.33 2j4zA1 LEU 318 HA -0.08 -0.05 0.35 -0.75 4.35 3.81 2j4zA1 LEU 318 HB2 0.07 0.22 0.13 -0.04 1.64 2.02 2j4zA1 LEU 318 HB3 -0.13 0.04 0.03 -0.04 1.64 1.54 2j4zA1 LEU 318 HG -0.05 0.31 0.06 -0.04 1.64 1.92 2j4zA1 LEU 318 HD13 -0.03 -0.03 -0.11 -0.04 0.93 0.72 2j4zA1 LEU 318 HD23 -0.83 -0.06 -0.05 -0.04 0.89 -0.09 2j4zA1 CYS 319 H -0.08 0.67 -0.15 -0.55 8.50 8.39 2j4zA1 CYS 319 HA 0.16 -0.03 0.37 -0.75 4.58 4.33 2j4zA1 CYS 319 HB2 0.07 0.10 0.12 -0.04 2.97 3.22 2j4zA1 CYS 319 HB3 -0.02 0.11 0.10 -0.04 2.97 3.12 2j4zA1 TYR 320 H -0.02 0.55 -0.26 -0.55 8.29 8.01 2j4zA1 TYR 320 HA -0.04 -0.04 0.40 -0.75 4.56 4.13 2j4zA1 TYR 320 HB2 -0.32 0.06 0.12 -0.04 3.06 2.89 2j4zA1 TYR 320 HB3 -0.31 0.14 0.20 -0.04 2.98 2.96 2j4zA1 TYR 320 HD2 -0.25 0.06 -0.19 -0.04 7.15 6.73 2j4zA1 TYR 320 HE2 -0.35 0.06 -0.20 -0.04 6.85 6.32 2j4zA1 GLU 321 H 0.01 0.61 -0.10 -0.55 8.60 8.57 2j4zA1 GLU 321 HA 0.11 0.13 0.29 -0.75 4.29 4.07 2j4zA1 GLU 321 HB2 -0.02 0.11 0.01 -0.04 2.09 2.16 2j4zA1 GLU 321 HB3 -0.01 0.02 -0.05 -0.04 1.99 1.91 2j4zA1 GLU 321 HG2 0.09 0.02 -0.28 -0.04 2.34 2.13 2j4zA1 GLU 321 HG3 0.08 -0.10 -0.58 -0.04 2.34 1.69 2j4zA1 PHE 322 H 0.07 0.56 -0.28 -0.55 8.34 8.14 2j4zA1 PHE 322 HA -0.05 -0.00 0.38 -0.75 4.62 4.19 2j4zA1 PHE 322 HB2 0.21 0.17 0.16 -0.04 3.15 3.65 2j4zA1 PHE 322 HB3 0.38 -0.10 -0.04 -0.04 3.06 3.26 2j4zA1 PHE 322 HD2 0.22 -0.01 -0.08 -0.04 7.28 7.36 2j4zA1 PHE 322 HE2 0.25 -0.06 -0.13 -0.04 7.38 7.40 2j4zA1 PHE 322 HZ 0.09 -0.03 -0.12 -0.04 7.32 7.22 2j4zA1 LEU 323 H 0.16 0.49 -0.09 -0.55 8.37 8.39 2j4zA1 LEU 323 HA 0.17 0.18 0.59 -0.75 4.35 4.54 2j4zA1 LEU 323 HB2 -0.03 0.09 0.13 -0.04 1.64 1.79 2j4zA1 LEU 323 HB3 0.12 -0.09 0.04 -0.04 1.64 1.66 2j4zA1 LEU 323 HG 0.24 0.08 0.03 -0.04 1.64 1.95 2j4zA1 LEU 323 HD13 -0.13 -0.04 -0.04 -0.04 0.93 0.68 2j4zA1 LEU 323 HD23 0.31 0.01 -0.08 -0.04 0.89 1.09 2j4zA1 VAL 324 H -0.06 0.49 -0.04 -0.55 8.24 8.08 2j4zA1 VAL 324 HA 0.21 0.12 0.90 -0.75 4.13 4.62 2j4zA1 VAL 324 HB -0.34 0.15 0.09 -0.04 2.12 1.98 2j4zA1 VAL 324 HG13 -0.01 -0.03 -0.04 -0.04 0.97 0.85 2j4zA1 VAL 324 HG23 -0.71 -0.03 -0.01 -0.04 0.95 0.16 2j4zA1 GLY 325 H 0.02 0.53 0.11 -0.55 8.43 8.54 2j4zA1 GLY 325 HA2 -0.03 0.03 0.43 -0.51 4.01 3.93 2j4zA1 GLY 325 HA3 -0.00 0.26 0.83 -0.51 4.01 4.59 2j4zA1 LYS 326 H 0.07 0.18 -0.17 -0.55 8.42 7.94 2j4zA1 LYS 326 HA 0.07 0.09 0.64 -0.75 4.32 4.36 2j4zA1 LYS 326 HB2 0.05 -0.00 0.04 -0.04 1.87 1.92 2j4zA1 LYS 326 HB3 0.05 0.05 -0.08 -0.04 1.79 1.77 2j4zA1 LYS 326 HG2 0.08 0.04 -0.25 -0.04 1.46 1.29 2j4zA1 LYS 326 HG3 0.13 0.04 -0.21 -0.04 1.46 1.37 2j4zA1 LYS 326 HD2 0.05 -0.00 -0.09 -0.04 1.69 1.60 2j4zA1 LYS 326 HD3 0.06 -0.01 -0.08 -0.04 1.68 1.60 2j4zA1 LYS 326 HE2 0.04 0.07 -0.09 -0.04 2.99 2.96 2j4zA1 LYS 326 HE3 0.03 -0.03 -0.06 -0.04 2.99 2.89 2j4zA1 PRO 327 HA -0.15 0.16 0.46 -0.51 4.44 4.40 2j4zA1 PRO 327 HB2 -0.05 -0.07 -0.01 -0.04 2.28 2.10 2j4zA1 PRO 327 HB3 -0.13 0.07 0.05 -0.04 2.02 1.97 2j4zA1 PRO 327 HG2 0.06 -0.03 0.05 -0.04 2.03 2.06 2j4zA1 PRO 327 HG3 0.06 0.03 0.02 -0.04 2.03 2.10 2j4zA1 PRO 327 HD2 0.03 0.08 0.17 -0.04 3.68 3.93 2j4zA1 PRO 327 HD3 0.07 0.17 0.22 -0.04 3.65 4.06 2j4zA1 PRO 328 HA -0.90 0.15 0.48 -0.51 4.44 3.66 2j4zA1 PRO 328 HB2 -1.72 0.05 -0.02 -0.04 2.28 0.55 2j4zA1 PRO 328 HB3 -2.62 0.03 0.07 -0.04 2.02 -0.55 2j4zA1 PRO 328 HG2 -1.31 0.07 0.03 -0.04 2.03 0.78 2j4zA1 PRO 328 HG3 -1.10 0.05 0.04 -0.04 2.03 0.98 2j4zA1 PRO 328 HD2 -0.49 0.06 0.21 -0.04 3.68 3.42 2j4zA1 PRO 328 HD3 -0.58 0.17 0.22 -0.04 3.65 3.42 2j4zA1 PHE 329 H -0.30 0.06 -0.25 -0.55 8.34 7.29 2j4zA1 PHE 329 HA -0.06 0.36 0.91 -0.75 4.62 5.08 2j4zA1 PHE 329 HB2 -0.02 -0.02 0.01 -0.04 3.15 3.08 2j4zA1 PHE 329 HB3 0.02 -0.01 0.10 -0.04 3.06 3.13 2j4zA1 PHE 329 HD2 -0.01 0.11 -0.15 -0.04 7.28 7.20 2j4zA1 PHE 329 HE2 -0.08 -0.03 -0.27 -0.04 7.38 6.96 2j4zA1 PHE 329 HZ -0.23 0.05 -0.12 -0.04 7.32 6.98 2j4zA1 GLU 330 H -0.07 0.28 -0.37 -0.55 8.60 7.88 2j4zA1 GLU 330 HA 0.05 -0.08 0.36 -0.75 4.29 3.86 2j4zA1 GLU 330 HB2 0.01 -0.01 0.06 -0.04 2.09 2.11 2j4zA1 GLU 330 HB3 -0.01 0.09 0.01 -0.04 1.99 2.04 2j4zA1 GLU 330 HG2 0.01 -0.01 -0.30 -0.04 2.34 2.00 2j4zA1 GLU 330 HG3 0.02 -0.06 0.01 -0.04 2.34 2.27 2j4zA1 ALA 331 H 0.02 0.18 0.18 -0.55 8.40 8.23 2j4zA1 ALA 331 HA 0.00 0.17 0.57 -0.75 4.34 4.33 2j4zA1 ALA 331 HB3 0.01 0.04 -0.10 -0.04 1.41 1.31 2j4zA1 ASN 332 H -0.03 0.17 0.13 -0.55 8.53 8.25 2j4zA1 ASN 332 HA -0.06 0.12 0.41 -0.75 4.76 4.49 2j4zA1 ASN 332 HB2 -0.04 -0.04 0.10 -0.04 2.88 2.85 2j4zA1 ASN 332 HB3 -0.05 0.01 0.07 -0.04 2.79 2.78 2j4zA1 ASN 332 HD21 -0.02 0.04 0.01 -0.04 7.03 7.03 2j4zA1 ASN 332 HD22 -0.02 -0.02 0.03 -0.04 7.74 7.69 2j4zA1 THR 333 H -0.07 0.11 -0.17 -0.55 8.28 7.60 2j4zA1 THR 333 HA -0.25 0.29 0.84 -0.75 4.39 4.51 2j4zA1 THR 333 HB -0.10 -0.04 0.14 -0.04 4.32 4.27 2j4zA1 THR 333 HG23 -0.07 0.04 -0.18 -0.04 1.22 0.97 2j4zA1 TYR 334 H -0.29 0.23 0.16 -0.55 8.29 7.84 2j4zA1 TYR 334 HA -0.25 0.15 0.45 -0.75 4.56 4.16 2j4zA1 TYR 334 HB2 -0.20 -0.00 0.12 -0.04 3.06 2.93 2j4zA1 TYR 334 HB3 -0.48 0.06 0.03 -0.04 2.98 2.56 2j4zA1 TYR 334 HD2 -0.09 0.02 0.01 -0.04 7.15 7.05 2j4zA1 TYR 334 HE2 -0.03 0.02 0.02 -0.04 6.85 6.83 2j4zA1 GLN 335 H -0.07 0.07 -0.10 -0.55 8.47 7.82 2j4zA1 GLN 335 HA 0.02 0.14 0.38 -0.75 4.36 4.15 2j4zA1 GLN 335 HB2 -0.01 -0.07 0.05 -0.04 2.15 2.09 2j4zA1 GLN 335 HB3 0.05 0.09 -0.02 -0.04 2.02 2.09 2j4zA1 GLN 335 HG2 0.03 0.06 0.03 -0.04 2.40 2.48 2j4zA1 GLN 335 HG3 0.10 0.07 0.03 -0.04 2.39 2.55 2j4zA1 GLN 335 HE21 0.11 0.01 0.01 -0.04 6.97 7.06 2j4zA1 GLN 335 HE22 0.14 0.09 -0.02 -0.04 7.69 7.86 2j4zA1 GLU 336 H -0.04 0.02 -0.34 -0.55 8.60 7.69 2j4zA1 GLU 336 HA 0.02 0.09 0.41 -0.75 4.29 4.06 2j4zA1 GLU 336 HB2 -0.01 -0.03 0.06 -0.04 2.09 2.07 2j4zA1 GLU 336 HB3 -0.02 -0.02 0.07 -0.04 1.99 1.98 2j4zA1 GLU 336 HG2 0.00 -0.05 0.02 -0.04 2.34 2.27 2j4zA1 GLU 336 HG3 0.02 0.12 -0.12 -0.04 2.34 2.31 2j4zA1 THR 337 H -0.06 0.22 -0.33 -0.55 8.28 7.56 2j4zA1 THR 337 HA 0.07 0.22 0.41 -0.75 4.39 4.34 2j4zA1 THR 337 HB -0.10 0.02 0.16 -0.04 4.32 4.36 2j4zA1 THR 337 HG23 0.10 0.03 -0.18 -0.04 1.22 1.13 2j4zA1 TYR 338 H -0.13 0.48 -0.14 -0.55 8.29 7.95 2j4zA1 TYR 338 HA -0.05 0.05 0.35 -0.75 4.56 4.15 2j4zA1 TYR 338 HB2 0.00 0.18 0.17 -0.04 3.06 3.37 2j4zA1 TYR 338 HB3 -0.03 0.00 -0.01 -0.04 2.98 2.90 2j4zA1 TYR 338 HD2 -0.01 0.00 -0.01 -0.04 7.15 7.09 2j4zA1 TYR 338 HE2 -0.02 -0.04 -0.06 -0.04 6.85 6.68 2j4zA1 LYS 339 H 0.11 0.33 -0.25 -0.55 8.42 8.05 2j4zA1 LYS 339 HA 0.05 0.03 0.41 -0.75 4.32 4.05 2j4zA1 LYS 339 HB2 0.05 0.09 0.15 -0.04 1.87 2.12 2j4zA1 LYS 339 HB3 0.04 -0.02 -0.01 -0.04 1.79 1.76 2j4zA1 LYS 339 HG2 0.05 -0.01 0.01 -0.04 1.46 1.47 2j4zA1 LYS 339 HG3 0.08 0.16 0.06 -0.04 1.46 1.72 2j4zA1 LYS 339 HD2 0.03 -0.06 -0.05 -0.04 1.69 1.57 2j4zA1 LYS 339 HD3 0.03 0.01 -0.02 -0.04 1.68 1.65 2j4zA1 LYS 339 HE2 0.03 0.02 -0.03 -0.04 2.99 2.97 2j4zA1 LYS 339 HE3 0.04 -0.03 -0.06 -0.04 2.99 2.90 2j4zA1 ARG 340 H 0.06 0.55 -0.11 -0.55 8.46 8.40 2j4zA1 ARG 340 HA 0.09 -0.02 0.45 -0.75 4.34 4.11 2j4zA1 ARG 340 HB2 0.17 0.12 0.16 -0.04 1.90 2.31 2j4zA1 ARG 340 HB3 0.29 0.18 0.09 -0.04 1.80 2.31 2j4zA1 ARG 340 HG2 0.08 -0.08 0.03 -0.04 1.67 1.66 2j4zA1 ARG 340 HG3 0.07 0.06 0.07 -0.04 1.67 1.82 2j4zA1 ARG 340 HD2 0.09 0.06 -0.12 -0.04 3.22 3.20 2j4zA1 ARG 340 HD3 0.09 0.13 0.01 -0.04 3.22 3.41 2j4zA1 ILE 341 H -0.06 0.51 -0.23 -0.55 8.25 7.93 2j4zA1 ILE 341 HA -0.88 0.05 0.43 -0.75 4.18 3.02 2j4zA1 ILE 341 HB -0.14 0.08 0.11 -0.04 1.89 1.89 2j4zA1 ILE 341 HG12 -0.76 -0.02 -0.03 -0.04 1.49 0.64 2j4zA1 ILE 341 HG13 -0.21 0.10 0.02 -0.04 1.21 1.09 2j4zA1 ILE 341 HG23 -0.36 0.01 -0.24 -0.04 0.93 0.29 2j4zA1 ILE 341 HD13 0.03 0.02 -0.11 -0.04 0.88 0.78 2j4zA1 SER 342 H -0.05 0.51 -0.10 -0.55 8.46 8.27 2j4zA1 SER 342 HA -0.05 -0.03 0.39 -0.75 4.49 4.05 2j4zA1 SER 342 HB2 0.01 0.11 0.15 -0.04 3.95 4.19 2j4zA1 SER 342 HB3 0.02 -0.07 0.00 -0.04 3.93 3.85 2j4zA1 ARG 343 H 0.04 0.40 -0.30 -0.55 8.46 8.05 2j4zA1 ARG 343 HA 0.05 0.07 0.61 -0.75 4.34 4.32 2j4zA1 ARG 343 HB2 0.06 0.02 0.03 -0.04 1.90 1.96 2j4zA1 ARG 343 HB3 0.03 -0.06 0.09 -0.04 1.80 1.83 2j4zA1 ARG 343 HG2 0.02 -0.05 -0.05 -0.04 1.67 1.55 2j4zA1 ARG 343 HG3 0.03 0.28 0.04 -0.04 1.67 1.98 2j4zA1 ARG 343 HD2 0.01 -0.03 -0.01 -0.04 3.22 3.15 2j4zA1 ARG 343 HD3 0.01 -0.06 -0.03 -0.04 3.22 3.10 2j4zA1 VAL 344 H 0.11 0.36 -0.61 -0.55 8.24 7.55 2j4zA1 VAL 344 HA 0.40 0.03 0.30 -0.75 4.13 4.11 2j4zA1 VAL 344 HB 0.21 0.01 0.02 -0.04 2.12 2.33 2j4zA1 VAL 344 HG13 0.43 -0.02 0.16 -0.04 0.97 1.50 2j4zA1 VAL 344 HG23 0.40 -0.03 -0.06 -0.04 0.95 1.21 2j4zA1 GLU 345 H 0.27 0.66 -0.09 -0.55 8.60 8.89 2j4zA1 GLU 345 HA -0.00 0.12 0.74 -0.75 4.29 4.39 2j4zA1 GLU 345 HB2 0.07 0.00 -0.06 -0.04 2.09 2.06 2j4zA1 GLU 345 HB3 0.13 -0.06 0.20 -0.04 1.99 2.22 2j4zA1 GLU 345 HG2 0.02 -0.00 -0.17 -0.04 2.34 2.15 2j4zA1 GLU 345 HG3 -0.01 0.01 -0.04 -0.04 2.34 2.26 2j4zA1 PHE 346 H -0.40 0.39 0.18 -0.55 8.34 7.95 2j4zA1 PHE 346 HA -0.24 0.16 0.66 -0.75 4.62 4.46 2j4zA1 PHE 346 HB2 -0.80 0.03 0.06 -0.04 3.15 2.39 2j4zA1 PHE 346 HB3 -0.74 0.02 -0.35 -0.04 3.06 1.96 2j4zA1 PHE 346 HD2 -0.36 0.01 -0.40 -0.04 7.28 6.49 2j4zA1 PHE 346 HE2 -0.46 0.03 -0.10 -0.04 7.38 6.81 2j4zA1 PHE 346 HZ -0.04 -0.04 -0.10 -0.04 7.32 7.09 2j4zA1 THR 347 H -0.11 0.30 0.20 -0.55 8.28 8.12 2j4zA1 THR 347 HA -0.29 0.16 0.85 -0.75 4.39 4.36 2j4zA1 THR 347 HB -0.05 0.02 0.07 -0.04 4.32 4.32 2j4zA1 THR 347 HG23 -0.12 -0.01 -0.20 -0.04 1.22 0.85 2j4zA1 PHE 348 H 0.11 0.13 0.14 -0.55 8.34 8.16 2j4zA1 PHE 348 HA 0.03 0.23 0.89 -0.75 4.62 5.02 2j4zA1 PHE 348 HB2 -0.08 -0.02 -0.01 -0.04 3.15 2.99 2j4zA1 PHE 348 HB3 -0.18 0.08 0.06 -0.04 3.06 2.98 2j4zA1 PHE 348 HD2 -0.08 0.01 -0.02 -0.04 7.28 7.14 2j4zA1 PHE 348 HE2 0.07 0.01 -0.07 -0.04 7.38 7.35 2j4zA1 PHE 348 HZ 0.18 0.01 -0.06 -0.04 7.32 7.40 2j4zA1 PRO 349 HA -0.16 0.09 0.53 -0.51 4.44 4.39 2j4zA1 PRO 349 HB2 -1.56 -0.10 0.03 -0.04 2.28 0.62 2j4zA1 PRO 349 HB3 -0.36 0.05 0.12 -0.04 2.02 1.79 2j4zA1 PRO 349 HG2 -0.41 0.12 0.08 -0.04 2.03 1.78 2j4zA1 PRO 349 HG3 -0.16 0.09 0.03 -0.04 2.03 1.95 2j4zA1 PRO 349 HD2 -0.37 0.04 0.20 -0.04 3.68 3.51 2j4zA1 PRO 349 HD3 -0.14 0.22 0.24 -0.04 3.65 3.94 2j4zA1 ASP 350 H -0.11 0.13 0.15 -0.55 8.40 8.03 2j4zA1 ASP 350 HA -0.07 0.12 0.31 -0.75 4.63 4.23 2j4zA1 ASP 350 HB2 0.00 -0.03 0.13 -0.04 2.71 2.77 2j4zA1 ASP 350 HB3 0.01 0.02 0.01 -0.04 2.70 2.70 2j4zA1 PHE 351 H -0.30 0.02 -0.34 -0.55 8.34 7.16 2j4zA1 PHE 351 HA -0.01 0.10 0.40 -0.75 4.62 4.36 2j4zA1 PHE 351 HB2 -0.00 -0.01 0.08 -0.04 3.15 3.17 2j4zA1 PHE 351 HB3 -0.00 -0.04 0.05 -0.04 3.06 3.02 2j4zA1 PHE 351 HD2 -0.01 -0.06 -0.24 -0.04 7.28 6.92 2j4zA1 PHE 351 HE2 -0.03 0.11 -0.01 -0.04 7.38 7.41 2j4zA1 PHE 351 HZ -0.05 0.12 0.11 -0.04 7.32 7.46 2j4zA1 VAL 352 H -0.39 0.37 -0.28 -0.55 8.24 7.40 2j4zA1 VAL 352 HA 0.06 -0.00 0.51 -0.75 4.13 3.94 2j4zA1 VAL 352 HB -0.31 0.06 0.04 -0.04 2.12 1.86 2j4zA1 VAL 352 HG13 -0.35 0.01 -0.10 -0.04 0.97 0.49 2j4zA1 VAL 352 HG23 -0.27 0.01 -0.00 -0.04 0.95 0.65 2j4zA1 THR 353 H -0.04 0.04 0.21 -0.55 8.28 7.95 2j4zA1 THR 353 HA -0.05 0.25 0.47 -0.75 4.39 4.31 2j4zA1 THR 353 HB 0.05 -0.07 0.18 -0.04 4.32 4.44 2j4zA1 THR 353 HG23 0.10 0.06 0.11 -0.04 1.22 1.45 2j4zA1 GLU 354 H -0.05 0.20 0.18 -0.55 8.60 8.39 2j4zA1 GLU 354 HA -0.16 0.15 0.39 -0.75 4.29 3.92 2j4zA1 GLU 354 HB2 -0.04 0.05 0.06 -0.04 2.09 2.12 2j4zA1 GLU 354 HB3 -0.04 0.08 0.14 -0.04 1.99 2.12 2j4zA1 GLU 354 HG2 0.01 -0.02 0.13 -0.04 2.34 2.41 2j4zA1 GLU 354 HG3 0.02 -0.02 -0.06 -0.04 2.34 2.23 2j4zA1 GLY 355 H -0.01 0.09 -0.16 -0.55 8.43 7.80 2j4zA1 GLY 355 HA2 0.08 0.11 0.42 -0.51 4.01 4.11 2j4zA1 GLY 355 HA3 0.18 0.07 0.27 -0.51 4.01 4.02 2j4zA1 ALA 356 H -0.63 0.09 -0.23 -0.55 8.40 7.08 2j4zA1 ALA 356 HA -1.69 0.05 0.41 -0.75 4.34 2.35 2j4zA1 ALA 356 HB3 -0.86 0.04 0.05 -0.04 1.41 0.60 2j4zA1 ARG 357 H -0.50 0.50 -0.20 -0.55 8.46 7.70 2j4zA1 ARG 357 HA -0.82 0.04 0.33 -0.75 4.34 3.14 2j4zA1 ARG 357 HB2 -0.33 0.05 0.07 -0.04 1.90 1.66 2j4zA1 ARG 357 HB3 -0.48 -0.01 -0.01 -0.04 1.80 1.26 2j4zA1 ARG 357 HG2 -1.54 -0.06 -0.09 -0.04 1.67 -0.07 2j4zA1 ARG 357 HG3 -0.55 0.38 -0.19 -0.04 1.67 1.28 2j4zA1 ARG 357 HD2 -0.26 -0.08 -0.11 -0.04 3.22 2.73 2j4zA1 ARG 357 HD3 -0.38 -0.04 -0.06 -0.04 3.22 2.69 2j4zA1 ASP 358 H -0.18 0.41 -0.29 -0.55 8.40 7.80 2j4zA1 ASP 358 HA 0.01 0.07 0.43 -0.75 4.63 4.38 2j4zA1 ASP 358 HB2 0.03 0.02 0.11 -0.04 2.71 2.83 2j4zA1 ASP 358 HB3 0.12 0.06 0.17 -0.04 2.70 3.00 2j4zA1 LEU 359 H -0.26 0.37 -0.10 -0.55 8.37 7.83 2j4zA1 LEU 359 HA -0.17 0.05 0.46 -0.75 4.35 3.93 2j4zA1 LEU 359 HB2 -0.89 -0.06 0.12 -0.04 1.64 0.77 2j4zA1 LEU 359 HB3 -0.43 0.08 0.16 -0.04 1.64 1.40 2j4zA1 LEU 359 HG -0.12 0.03 -0.28 -0.04 1.64 1.22 2j4zA1 LEU 359 HD13 -0.14 -0.01 0.05 -0.04 0.93 0.78 2j4zA1 LEU 359 HD23 0.08 -0.01 -0.04 -0.04 0.89 0.87 2j4zA1 ILE 360 H -0.19 0.56 -0.08 -0.55 8.25 8.00 2j4zA1 ILE 360 HA -0.10 0.01 0.44 -0.75 4.18 3.77 2j4zA1 ILE 360 HB 0.17 0.06 0.07 -0.04 1.89 2.15 2j4zA1 ILE 360 HG12 -0.09 0.00 0.02 -0.04 1.49 1.39 2j4zA1 ILE 360 HG13 -0.22 0.01 0.05 -0.04 1.21 1.01 2j4zA1 ILE 360 HG23 -0.10 0.01 -0.14 -0.04 0.93 0.66 2j4zA1 ILE 360 HD13 -0.01 -0.02 -0.16 -0.04 0.88 0.65 2j4zA1 SER 361 H 0.12 0.55 -0.19 -0.55 8.46 8.39 2j4zA1 SER 361 HA 0.35 0.06 0.34 -0.75 4.49 4.48 2j4zA1 SER 361 HB2 0.12 0.05 0.13 -0.04 3.95 4.21 2j4zA1 SER 361 HB3 0.16 -0.05 0.00 -0.04 3.93 4.00 2j4zA1 ARG 362 H 0.05 0.36 -0.39 -0.55 8.46 7.93 2j4zA1 ARG 362 HA 0.09 0.03 0.44 -0.75 4.34 4.15 2j4zA1 ARG 362 HB2 0.06 0.11 0.21 -0.04 1.90 2.23 2j4zA1 ARG 362 HB3 0.08 -0.06 0.03 -0.04 1.80 1.81 2j4zA1 ARG 362 HG2 0.09 -0.05 0.04 -0.04 1.67 1.70 2j4zA1 ARG 362 HG3 0.10 0.26 0.10 -0.04 1.67 2.08 2j4zA1 ARG 362 HD2 0.16 -0.03 0.01 -0.04 3.22 3.32 2j4zA1 ARG 362 HD3 0.11 -0.02 0.02 -0.04 3.22 3.28 2j4zA1 LEU 363 H -0.00 0.47 -0.07 -0.55 8.37 8.22 2j4zA1 LEU 363 HA 0.05 -0.01 0.47 -0.75 4.35 4.10 2j4zA1 LEU 363 HB2 -0.10 0.04 0.19 -0.04 1.64 1.73 2j4zA1 LEU 363 HB3 -0.07 0.03 0.07 -0.04 1.64 1.63 2j4zA1 LEU 363 HG -0.00 0.09 0.06 -0.04 1.64 1.74 2j4zA1 LEU 363 HD13 -0.03 -0.05 -0.19 -0.04 0.93 0.63 2j4zA1 LEU 363 HD23 0.04 0.01 0.01 -0.04 0.89 0.92 2j4zA1 LEU 364 H -0.07 0.53 -0.29 -0.55 8.37 7.99 2j4zA1 LEU 364 HA -0.36 0.10 0.68 -0.75 4.35 4.01 2j4zA1 LEU 364 HB2 -0.15 0.07 0.08 -0.04 1.64 1.59 2j4zA1 LEU 364 HB3 -0.41 -0.04 0.12 -0.04 1.64 1.26 2j4zA1 LEU 364 HG -0.54 0.03 -0.06 -0.04 1.64 1.04 2j4zA1 LEU 364 HD13 -1.21 -0.02 -0.15 -0.04 0.93 -0.49 2j4zA1 LEU 364 HD23 -1.53 -0.02 -0.11 -0.04 0.89 -0.80 2j4zA1 LYS 365 H 0.20 0.27 -0.62 -0.55 8.42 7.72 2j4zA1 LYS 365 HA 0.24 0.09 0.61 -0.75 4.32 4.50 2j4zA1 LYS 365 HB2 0.16 0.07 -0.08 -0.04 1.87 1.97 2j4zA1 LYS 365 HB3 0.15 -0.21 -0.06 -0.04 1.79 1.63 2j4zA1 LYS 365 HG2 0.13 -0.04 0.01 -0.04 1.46 1.53 2j4zA1 LYS 365 HG3 0.12 0.27 0.06 -0.04 1.46 1.88 2j4zA1 LYS 365 HD2 0.10 0.16 -0.19 -0.04 1.69 1.71 2j4zA1 LYS 365 HD3 0.10 -0.16 -0.02 -0.04 1.68 1.56 2j4zA1 LYS 365 HE2 0.09 0.02 0.06 -0.04 2.99 3.12 2j4zA1 LYS 365 HE3 0.07 -0.07 0.02 -0.04 2.99 2.97 2j4zA1 HIS 366 H 0.29 0.13 0.14 -0.55 8.41 8.42 2j4zA1 HIS 366 HA 0.08 0.10 0.39 -0.75 4.63 4.44 2j4zA1 HIS 366 HB2 0.09 0.12 0.10 -0.04 3.26 3.53 2j4zA1 HIS 366 HB3 0.05 -0.10 0.10 -0.04 3.20 3.21 2j4zA1 HIS 366 HD2 -0.03 0.33 0.10 -0.04 6.97 7.32 2j4zA1 HIS 366 HE1 -0.05 -0.05 -0.06 -0.04 7.75 7.55 2j4zA1 ASN 367 H 0.18 0.07 -0.13 -0.55 8.53 8.11 2j4zA1 ASN 367 HA 0.10 0.13 0.56 -0.75 4.76 4.80 2j4zA1 ASN 367 HB2 0.11 0.04 0.07 -0.04 2.88 3.06 2j4zA1 ASN 367 HB3 0.09 -0.00 0.11 -0.04 2.79 2.95 2j4zA1 ASN 367 HD21 0.04 0.00 -0.03 -0.04 7.03 7.00 2j4zA1 ASN 367 HD22 0.05 0.04 -0.01 -0.04 7.74 7.78 2j4zA1 PRO 368 HA 0.05 0.18 0.36 -0.51 4.44 4.53 2j4zA1 PRO 368 HB2 -0.00 -0.03 0.06 -0.04 2.28 2.27 2j4zA1 PRO 368 HB3 -0.01 -0.08 0.05 -0.04 2.02 1.94 2j4zA1 PRO 368 HG2 -0.07 0.01 0.10 -0.04 2.03 2.04 2j4zA1 PRO 368 HG3 -0.12 0.08 0.11 -0.04 2.03 2.07 2j4zA1 PRO 368 HD2 -0.00 0.01 0.22 -0.04 3.68 3.86 2j4zA1 PRO 368 HD3 -0.05 0.41 0.43 -0.04 3.65 4.40 2j4zA1 SER 369 H 0.03 0.09 -0.19 -0.55 8.46 7.84 2j4zA1 SER 369 HA 0.04 0.08 0.42 -0.75 4.49 4.27 2j4zA1 SER 369 HB2 0.03 -0.00 -0.02 -0.04 3.95 3.91 2j4zA1 SER 369 HB3 0.03 0.03 0.05 -0.04 3.93 4.00 2j4zA1 GLN 370 H 0.07 0.34 -0.43 -0.55 8.47 7.90 2j4zA1 GLN 370 HA 0.06 0.13 0.73 -0.75 4.36 4.53 2j4zA1 GLN 370 HB2 0.08 0.07 0.04 -0.04 2.15 2.30 2j4zA1 GLN 370 HB3 0.07 -0.00 0.10 -0.04 2.02 2.15 2j4zA1 GLN 370 HG2 0.05 -0.11 -0.11 -0.04 2.40 2.19 2j4zA1 GLN 370 HG3 0.05 -0.02 -0.01 -0.04 2.39 2.37 2j4zA1 GLN 370 HE21 0.03 -0.01 -0.07 -0.04 6.97 6.88 2j4zA1 GLN 370 HE22 0.04 -0.08 -0.17 -0.04 7.69 7.43 2j4zA1 ARG 371 H 0.08 0.24 -0.27 -0.55 8.46 7.96 2j4zA1 ARG 371 HA 0.10 0.27 0.55 -0.75 4.34 4.51 2j4zA1 ARG 371 HB2 0.10 -0.00 0.16 -0.04 1.90 2.11 2j4zA1 ARG 371 HB3 0.11 -0.04 0.08 -0.04 1.80 1.91 2j4zA1 ARG 371 HG2 0.17 0.10 0.07 -0.04 1.67 1.97 2j4zA1 ARG 371 HG3 0.14 -0.03 -0.01 -0.04 1.67 1.74 2j4zA1 ARG 371 HD2 0.15 -0.09 0.13 -0.04 3.22 3.36 2j4zA1 ARG 371 HD3 0.25 -0.02 0.08 -0.04 3.22 3.50 2j4zA1 PRO 372 HA 0.07 0.02 0.37 -0.51 4.44 4.40 2j4zA1 PRO 372 HB2 0.09 -0.01 -0.06 -0.04 2.28 2.26 2j4zA1 PRO 372 HB3 0.09 0.02 0.05 -0.04 2.02 2.15 2j4zA1 PRO 372 HG2 0.08 -0.03 -0.06 -0.04 2.03 1.98 2j4zA1 PRO 372 HG3 0.08 0.02 -0.05 -0.04 2.03 2.04 2j4zA1 PRO 372 HD2 0.08 0.12 0.01 -0.04 3.68 3.85 2j4zA1 PRO 372 HD3 0.08 0.19 0.04 -0.04 3.65 3.93 2j4zA1 MET 373 H 0.07 0.06 0.15 -0.55 8.47 8.20 2j4zA1 MET 373 HA 0.08 0.18 0.55 -0.75 4.52 4.58 2j4zA1 MET 373 HB2 0.06 -0.14 0.11 -0.04 2.15 2.14 2j4zA1 MET 373 HB3 0.07 -0.06 0.15 -0.04 2.03 2.14 2j4zA1 MET 373 HG2 0.06 0.06 0.09 -0.04 2.63 2.79 2j4zA1 MET 373 HG3 0.05 0.01 0.05 -0.04 2.56 2.64 2j4zA1 MET 373 HE3 0.05 -0.02 0.04 -0.04 2.10 2.13 2j4zA1 LEU 374 H 0.08 0.20 0.16 -0.55 8.37 8.26 2j4zA1 LEU 374 HA 0.06 0.13 0.42 -0.75 4.35 4.21 2j4zA1 LEU 374 HB2 0.05 -0.02 0.12 -0.04 1.64 1.75 2j4zA1 LEU 374 HB3 0.03 0.09 0.04 -0.04 1.64 1.76 2j4zA1 LEU 374 HG 0.07 -0.01 0.05 -0.04 1.64 1.71 2j4zA1 LEU 374 HD13 -0.15 0.02 -0.08 -0.04 0.93 0.68 2j4zA1 LEU 374 HD23 0.02 0.01 0.02 -0.04 0.89 0.90 2j4zA1 ARG 375 H 0.06 0.08 -0.19 -0.55 8.46 7.85 2j4zA1 ARG 375 HA 0.06 0.13 0.35 -0.75 4.34 4.13 2j4zA1 ARG 375 HB2 0.05 0.02 0.07 -0.04 1.90 2.00 2j4zA1 ARG 375 HB3 0.05 -0.04 0.00 -0.04 1.80 1.78 2j4zA1 ARG 375 HG2 0.05 0.02 -0.06 -0.04 1.67 1.63 2j4zA1 ARG 375 HG3 0.04 0.04 -0.01 -0.04 1.67 1.70 2j4zA1 ARG 375 HD2 0.04 0.00 -0.15 -0.04 3.22 3.08 2j4zA1 ARG 375 HD3 0.04 0.03 -0.05 -0.04 3.22 3.19 2j4zA1 GLU 376 H 0.07 0.09 -0.39 -0.55 8.60 7.82 2j4zA1 GLU 376 HA 0.07 0.09 0.39 -0.75 4.29 4.09 2j4zA1 GLU 376 HB2 0.09 0.11 0.06 -0.04 2.09 2.30 2j4zA1 GLU 376 HB3 0.09 0.04 0.04 -0.04 1.99 2.11 2j4zA1 GLU 376 HG2 0.06 0.06 -0.02 -0.04 2.34 2.39 2j4zA1 GLU 376 HG3 0.06 -0.14 0.03 -0.04 2.34 2.25 2j4zA1 VAL 377 H 0.09 0.31 -0.33 -0.55 8.24 7.76 2j4zA1 VAL 377 HA 0.14 0.03 0.44 -0.75 4.13 3.99 2j4zA1 VAL 377 HB 0.08 0.12 0.17 -0.04 2.12 2.45 2j4zA1 VAL 377 HG13 0.10 -0.01 -0.16 -0.04 0.97 0.85 2j4zA1 VAL 377 HG23 0.08 0.04 -0.07 -0.04 0.95 0.95 2j4zA1 LEU 378 H 0.08 0.54 -0.07 -0.55 8.37 8.37 2j4zA1 LEU 378 HA 0.08 0.02 0.34 -0.75 4.35 4.04 2j4zA1 LEU 378 HB2 0.06 0.08 0.10 -0.04 1.64 1.85 2j4zA1 LEU 378 HB3 0.05 -0.01 0.02 -0.04 1.64 1.67 2j4zA1 LEU 378 HG 0.06 0.05 0.03 -0.04 1.64 1.75 2j4zA1 LEU 378 HD13 0.06 -0.03 -0.14 -0.04 0.93 0.77 2j4zA1 LEU 378 HD23 0.06 -0.01 0.02 -0.04 0.89 0.92 2j4zA1 GLU 379 H 0.09 0.19 -0.63 -0.55 8.60 7.70 2j4zA1 GLU 379 HA 0.06 0.17 0.76 -0.75 4.29 4.52 2j4zA1 GLU 379 HB2 0.06 0.00 0.03 -0.04 2.09 2.14 2j4zA1 GLU 379 HB3 0.04 -0.07 0.11 -0.04 1.99 2.02 2j4zA1 GLU 379 HG2 0.04 0.01 -0.09 -0.04 2.34 2.25 2j4zA1 GLU 379 HG3 0.05 0.12 -0.08 -0.04 2.34 2.40 2j4zA1 HIS 380 H 0.21 0.42 -0.31 -0.55 8.41 8.18 2j4zA1 HIS 380 HA 0.08 0.09 0.48 -0.75 4.63 4.52 2j4zA1 HIS 380 HB2 0.11 0.18 0.26 -0.04 3.26 3.77 2j4zA1 HIS 380 HB3 0.17 -0.09 0.17 -0.04 3.20 3.40 2j4zA1 HIS 380 HD2 0.08 0.07 0.02 -0.04 6.97 7.09 2j4zA1 HIS 380 HE1 0.12 0.03 0.10 -0.04 7.75 7.95 2j4zA1 PRO 381 HA 0.03 0.13 0.39 -0.51 4.44 4.48 2j4zA1 PRO 381 HB2 0.01 -0.05 0.08 -0.04 2.28 2.27 2j4zA1 PRO 381 HB3 0.00 0.05 0.09 -0.04 2.02 2.12 2j4zA1 PRO 381 HG2 -0.15 0.03 0.10 -0.04 2.03 1.97 2j4zA1 PRO 381 HG3 -0.08 0.11 0.13 -0.04 2.03 2.15 2j4zA1 PRO 381 HD2 -1.12 0.04 0.22 -0.04 3.68 2.78 2j4zA1 PRO 381 HD3 -0.31 0.22 0.29 -0.04 3.65 3.81 2j4zA1 TRP 382 H 0.77 0.13 -0.18 -0.55 7.97 8.15 2j4zA1 TRP 382 HA 0.08 0.07 0.41 -0.75 4.62 4.43 2j4zA1 TRP 382 HB2 0.17 -0.06 -0.01 -0.04 3.23 3.29 2j4zA1 TRP 382 HB3 0.11 0.06 -0.05 -0.04 3.23 3.31 2j4zA1 TRP 382 HD1 0.03 -0.04 -0.01 -0.04 7.22 7.15 2j4zA1 TRP 382 HE1 0.01 -0.02 0.01 -0.04 10.20 10.15 2j4zA1 TRP 382 HE3 -0.05 0.04 -0.19 -0.04 7.59 7.35 2j4zA1 TRP 382 HZ2 0.02 -0.04 0.03 -0.04 7.44 7.41 2j4zA1 TRP 382 HZ3 0.02 0.05 -0.11 -0.04 7.13 7.05 2j4zA1 TRP 382 HH2 0.06 0.01 -0.10 -0.04 7.19 7.12 2j4zA1 ILE 383 H 0.39 0.14 -0.29 -0.55 8.25 7.94 2j4zA1 ILE 383 HA -0.26 -0.01 0.45 -0.75 4.18 3.60 2j4zA1 ILE 383 HB 0.16 0.20 0.09 -0.04 1.89 2.29 2j4zA1 ILE 383 HG12 0.34 -0.18 0.02 -0.04 1.49 1.63 2j4zA1 ILE 383 HG13 0.18 0.21 0.01 -0.04 1.21 1.58 2j4zA1 ILE 383 HG23 0.02 0.01 -0.12 -0.04 0.93 0.80 2j4zA1 ILE 383 HD13 0.19 -0.02 -0.03 -0.04 0.88 0.98 2j4zA1 THR 384 H 0.05 0.60 -0.08 -0.55 8.28 8.30 2j4zA1 THR 384 HA -0.03 0.11 0.38 -0.75 4.39 4.09 2j4zA1 THR 384 HB -0.01 -0.04 0.03 -0.04 4.32 4.26 2j4zA1 THR 384 HG23 0.03 0.02 -0.04 -0.04 1.22 1.19 2j4zA1 ALA 385 H -0.07 0.25 -0.51 -0.55 8.40 7.53 2j4zA1 ALA 385 HA -0.07 0.11 0.59 -0.75 4.34 4.22 2j4zA1 ALA 385 HB3 -0.05 -0.03 0.08 -0.04 1.41 1.37 2j4zA1 ASN 386 H -0.32 0.28 -0.21 -0.55 8.53 7.72 2j4zA1 ASN 386 HA -0.22 0.20 1.01 -0.75 4.76 5.00 2j4zA1 ASN 386 HB2 -0.95 0.14 0.07 -0.04 2.88 2.10 2j4zA1 ASN 386 HB3 -0.47 -0.11 -0.13 -0.04 2.79 2.03 2j4zA1 ASN 386 HD21 -0.23 -0.13 -0.04 -0.04 7.03 6.59 2j4zA1 ASN 386 HD22 -1.30 0.29 0.05 -0.04 7.74 6.74 2j4zA1 SER 387 H -0.22 0.56 0.05 -0.55 8.46 8.31 2j4zA1 SER 387 HA -0.18 -0.03 0.51 -0.75 4.49 4.03 2j4zA1 SER 387 HB2 -0.14 -0.09 -0.07 -0.04 3.95 3.60 2j4zA1 SER 387 HB3 -0.09 0.08 0.05 -0.04 3.93 3.93 2j4zA1 SER 388 H -0.12 0.00 0.10 -0.55 8.46 7.90 2j4zA1 SER 388 HA -0.07 0.06 0.44 -0.75 4.49 4.17 2j4zA1 SER 388 HB2 -0.07 -0.06 0.05 -0.04 3.95 3.83 2j4zA1 SER 388 HB3 -0.10 -0.05 0.02 -0.04 3.93 3.76