NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.7346 8.4449 120.3924 56.0916 30.1715 172.7385 -3 M 4.1305 8.4045 126.9087 53.7657 32.8710 175.1597 -2 A 4.2390 9.0692 125.5115 52.4561 20.2120 176.9867 -1 S 4.2453 7.9908 114.5269 56.2886 66.4879 172.3788 *103 P 3.9212 0.0000 0.0000 62.4876 32.1965 175.4084 104 Q 4.2623 7.7738 117.8544 54.1745 29.3459 175.4060 105 F 4.8966 8.1818 120.9081 55.4533 41.2284 176.7485 106 S 4.3181 8.6810 119.9842 60.3413 63.6075 174.9428 107 Q 4.6056 7.7857 120.1932 52.9455 33.7497 175.2935 108 Q 3.9344 8.7344 124.0183 59.5363 28.9879 178.8568 109 R 3.8251 8.0325 118.9541 59.7230 29.9647 178.1160 110 E 3.8926 8.0551 117.5813 59.3204 29.4823 178.7245 111 E 2.5400 7.7274 118.9275 58.7873 29.5593 178.6631 112 D 4.2750 8.2586 119.2557 57.3177 40.8491 178.7317 113 I 3.7032 7.8200 120.4317 64.6024 37.0869 177.8775 114 Y 3.9337 7.9799 120.2993 60.6474 38.7392 178.0226 115 R 3.9664 8.2973 119.9128 59.2954 30.2427 178.2002 116 F 4.1557 8.4135 120.5602 61.4847 39.4236 177.2012 117 L 3.7652 8.1510 118.5319 57.2368 41.1232 179.3245 118 K 3.7559 8.0351 119.6132 59.2815 32.2039 177.9948 119 D 4.5697 7.6303 116.8712 55.3374 41.2038 176.7442 120 N 4.6904 7.4893 113.0741 52.0956 40.5443 174.4331 121 G 3.9220 7.6802 106.0379 44.3322 0.0000 172.0263 122 P 4.9184 0.0000 0.0000 62.7497 32.3655 176.2885 123 Q 4.7449 8.9177 119.4954 54.2868 33.7649 175.2141 124 R 4.6263 8.7902 120.4940 56.0264 31.1412 177.6477 125 A 3.9646 9.0692 122.2131 55.5300 18.2765 179.9810 126 L 3.9097 7.9884 118.1940 58.1641 42.0863 179.3444 127 V 3.5633 7.7486 117.7183 66.0186 31.7834 177.7656 128 I 3.1720 7.8093 119.3199 64.1960 36.8779 178.0881 129 A 3.8830 8.1667 121.7472 55.4576 18.2343 179.7794 130 Q 4.0222 7.8260 115.7074 59.0390 28.5449 178.8887 131 A 3.8809 7.7673 120.8577 54.1388 18.2044 178.5937 132 L 4.4232 7.2544 115.3159 54.2520 41.9224 177.3117 133 G 3.8631 7.8517 106.4733 46.0418 0.0000 174.0482 134 M 4.8166 7.8287 120.6157 53.7934 34.3294 174.4168 135 R 4.4047 8.9365 116.1900 58.3250 32.5470 175.3781 136 T 4.6918 7.6523 104.8253 58.6058 72.3013 174.1045 137 A 3.9547 8.5549 122.1197 55.1673 17.8783 179.4854 138 K 3.8873 7.5007 116.2929 59.5676 32.2517 178.2041 139 D 4.5480 8.0737 117.8907 55.9870 41.0311 177.1069 140 V 4.3663 7.8453 110.5479 60.2368 34.1157 177.4157 141 N 4.3123 8.3058 117.7282 56.3152 38.3815 176.7716 142 R 3.9479 8.0265 119.5010 59.7024 30.0659 178.1878 143 D 4.3479 7.9551 118.0849 57.1410 40.8867 178.5195 144 L 3.4885 7.9312 119.8293 57.9550 41.4264 179.3144 145 Y 4.2981 8.1596 116.6384 60.8371 37.6069 178.4948 146 R 3.9640 8.1283 119.8825 59.7996 30.2607 178.5482 147 M 4.1390 8.4316 118.8726 58.1805 31.8406 178.6078 148 K 4.5701 8.9639 122.0064 59.0718 32.2025 178.9429 149 S 4.1913 8.0514 113.3108 60.5258 63.0619 175.5618 150 R 4.3133 7.3684 119.8602 55.1157 30.2801 175.5675 151 H 4.0536 7.7684 114.8988 56.8948 27.0449 175.8905 152 L 4.5817 8.0875 120.6455 56.3825 43.0883 177.0438 153 L 5.6470 8.1328 116.6870 53.0674 46.6234 174.8075 154 D 5.1529 9.2339 119.2739 52.7820 45.4360 173.6876 155 M 4.4224 7.8996 120.0580 53.2070 35.0018 173.9247 156 D 4.3653 8.6308 126.5565 53.6585 41.7861 176.8932 157 E 3.8608 8.8574 126.3468 59.5636 29.9424 178.4351 158 Q 4.0415 8.1956 118.8716 59.0766 29.2438 177.1451 159 S 4.2553 8.3564 110.3807 58.3962 63.6145 175.1124 160 K 3.7723 8.0674 118.4881 56.6290 30.2099 175.2332 161 A 4.5092 7.5920 121.7780 51.3224 20.0471 177.1993 162 W 4.9222 9.3620 122.1373 55.9483 31.2432 175.5383 163 T 5.1146 9.1022 117.7685 59.7407 70.7880 173.1067 164 I 4.0294 8.2233 119.4506 60.9952 38.4610 175.1508 165 Y 4.2159 8.7287 124.5685 58.0637 38.2713 175.2436 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -4 H 8.44 4.73 0.00 3.11 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 M 8.40 4.13 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 -2 A 9.07 4.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 S 7.99 4.25 0.00 3.77 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *103 P 0.00 3.92 0.00 0.62 1.49 0.00 3.40 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.84 0.00 104 Q 7.77 4.26 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 105 F 8.18 4.90 0.00 3.04 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.68 4.32 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 7.79 4.61 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 108 Q 8.73 3.93 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 109 R 8.03 3.83 0.00 1.92 1.90 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 110 E 8.06 3.89 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 111 E 7.73 2.54 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.93 0.00 112 D 8.26 4.27 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.82 3.70 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.88 0.00 0.00 114 Y 7.98 3.93 0.00 3.05 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.30 3.97 0.00 1.99 1.99 0.00 3.26 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 F 8.41 4.16 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.15 3.77 0.00 1.59 1.59 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.04 3.76 0.00 1.62 1.93 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.44 7.81 119 D 7.63 4.57 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.49 4.69 0.00 1.63 2.34 0.00 0.00 6.92 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.68 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.92 0.00 1.93 2.04 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 123 Q 8.92 4.74 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.63 0.00 124 R 8.79 4.63 0.00 1.96 1.96 0.00 3.19 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.69 0.00 125 A 9.07 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.99 3.91 0.00 1.80 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.75 3.56 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.00 0.00 0.00 128 I 7.81 3.17 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.31 0.79 0.00 0.00 129 A 8.17 3.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 7.83 4.02 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 131 A 7.77 3.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.25 4.42 0.00 1.52 1.58 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 M 7.83 4.82 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 135 R 8.94 4.40 0.00 1.84 1.90 0.00 3.09 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 136 T 7.65 4.69 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 137 A 8.55 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.50 3.89 0.00 1.87 1.86 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 139 D 8.07 4.55 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.85 4.37 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.83 0.00 0.00 141 N 8.31 4.31 0.00 2.81 3.08 0.00 0.00 6.77 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.03 3.95 0.00 1.89 1.94 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 143 D 7.96 4.35 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.93 3.49 0.00 0.77 0.13 -0.03 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.16 4.30 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.13 3.96 0.00 2.04 2.09 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 147 M 8.43 4.14 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.65 0.00 148 K 8.96 4.57 0.00 2.33 2.22 0.00 1.58 0.00 0.00 1.94 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.60 7.81 149 S 8.05 4.19 0.00 4.12 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 7.37 4.31 0.00 1.90 1.98 0.00 3.34 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 151 H 7.77 4.05 0.00 3.01 2.54 0.00 5.64 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.09 4.58 0.00 1.93 2.00 0.98 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.13 5.65 0.00 1.88 1.98 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 154 D 9.23 5.15 0.00 2.64 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 M 7.90 4.42 0.00 1.09 0.57 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.77 0.00 156 D 8.63 4.37 0.00 2.71 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.86 3.86 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 158 Q 8.20 4.04 0.00 1.98 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 159 S 8.36 4.26 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.07 3.77 0.00 1.96 2.02 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.36 7.81 161 A 7.59 4.51 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 W 9.36 4.92 0.00 3.40 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 T 9.10 5.11 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 164 I 8.22 4.03 1.49 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.64 -0.05 0.00 0.00 165 Y 8.73 4.22 0.00 3.23 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.