NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 I 4.0689 8.1245 121.4520 60.9616 38.2483 176.0701 41 K 4.1180 8.3977 127.1587 51.2630 32.5631 170.4582 42 P 4.4065 0.0000 0.0000 63.0256 33.1194 174.8124 43 D 4.4943 8.0042 118.5488 53.7048 42.1357 175.7424 44 Y 4.3465 9.0377 123.2894 58.0477 38.9975 177.1854 45 L 3.1179 7.7316 123.0151 57.5428 41.9339 178.4003 46 E 4.7528 7.6219 113.6958 55.9085 30.4603 174.9945 47 Y 4.1345 7.6089 121.4767 57.7911 39.1128 175.8261 48 D 4.7777 8.1260 125.5575 54.3648 41.8600 175.1855 49 D 4.9215 6.5989 118.2650 52.6839 43.7353 175.8979 50 L 4.5117 8.0425 120.8046 55.0969 42.6627 174.5323 51 L 4.6363 9.5482 126.6890 52.8770 43.3881 177.9418 52 D 4.4514 8.7572 119.9987 57.6719 40.7391 178.8265 53 R 4.0805 7.9444 113.7227 58.2942 29.7883 176.3132 54 D 4.6172 7.7803 119.8993 53.7673 41.4098 176.3060 55 E 4.2431 8.7860 124.5726 55.9844 30.8524 177.4129 56 M 4.0115 8.7288 123.6738 58.7003 32.4509 178.0442 57 F 4.2621 8.2608 120.3481 61.6070 39.6467 177.0782 58 T 4.1740 7.9422 116.2745 66.1102 68.2985 176.3088 59 I 3.3832 7.5732 121.6850 64.4156 37.0948 178.4763 60 L 3.9268 7.7311 119.5574 57.7040 41.3553 179.0235 61 E 4.0591 8.4940 118.8156 59.9703 29.4671 179.4681 62 E 4.0628 8.5683 118.1905 59.5043 29.4303 178.8943 63 Y 3.2369 8.1135 119.6570 60.5889 38.7380 178.2565 64 F 4.1342 8.3242 118.4802 60.1157 39.1519 177.6805 65 M 2.5500 7.9228 118.1117 58.3129 31.9425 177.9605 66 Y 4.0884 7.9130 117.1768 61.1259 38.0946 178.4084 67 R 3.9171 8.0203 120.1221 59.2630 29.9025 178.7498 68 G 3.8128 8.0119 104.3976 46.6698 0.0000 174.6253 69 L 4.5392 7.5012 119.2360 55.9844 43.2787 177.9842 70 L 4.3865 8.4031 117.3802 55.9691 42.7401 177.9850 71 G 3.8398 8.0297 105.4781 44.8063 0.0000 172.2781 72 L 4.6750 8.2692 116.4148 55.4579 43.0135 177.4998 73 R 4.3996 7.9228 117.4864 56.5929 29.8216 176.1481 74 I 4.5378 7.6330 119.1148 59.4621 40.7495 176.4004 75 K 3.7248 8.4982 124.8150 54.7213 31.6346 176.8406 76 Y 4.9882 7.1286 121.9315 53.8324 40.9201 175.4235 77 G 3.9873 8.4513 110.3392 44.3624 0.0000 175.0647 78 R 3.9607 9.2344 118.2455 59.1099 29.7767 179.1898 79 L 3.9788 7.9680 120.0128 58.3651 42.1516 178.9648 80 F 4.2790 8.4185 117.1732 60.7519 38.6968 177.0741 81 N 4.2168 8.4227 115.9164 56.5261 38.9783 176.6393 82 E 4.0701 8.0328 119.9879 59.5205 29.6711 179.3069 83 I 2.0000 7.1687 119.5919 63.5240 36.9218 178.3277 84 K 4.0768 7.9257 122.2146 58.7695 31.8723 178.7790 85 K 4.2035 7.9000 118.2099 58.5800 32.0948 178.8540 86 F 4.5930 8.1527 118.4167 60.0633 38.8301 177.0663 87 D 4.4890 8.1893 119.2036 57.4797 40.5342 178.2034 88 N 4.3816 8.0999 116.5865 56.4043 38.6537 177.0729 89 D 4.3077 8.1872 119.3890 57.4386 41.0088 178.4468 90 A 4.2136 7.9471 120.6649 55.3172 18.4938 179.2888 91 E 4.3766 8.2642 121.1469 59.7264 29.5411 179.5754 92 E 4.0106 7.8776 116.8832 60.4930 29.7441 179.8914 93 Q 4.2647 7.5579 117.5418 57.5543 29.8170 176.7634 94 F 5.0171 8.4625 115.4271 56.4648 40.2674 175.8135 95 G 3.9780 8.0545 105.4514 44.5980 0.0000 172.9833 96 T 4.1520 8.0625 108.4907 61.3308 70.7790 175.3266 97 I 3.6553 8.2496 122.2417 64.2882 37.5647 178.1207 98 E 3.9226 8.1074 119.1836 59.1021 29.2323 178.8216 99 E 3.8971 8.0265 118.8484 59.3802 29.8203 178.6467 100 L 3.8251 7.7645 119.0386 57.7278 41.5003 179.4620 101 K 3.8492 8.4158 122.1983 60.1584 31.6734 179.5871 102 Q 3.9737 7.7024 119.6805 60.1638 27.9605 180.3341 103 K 4.1577 8.1534 119.9149 59.0566 32.1109 178.2496 104 L 4.2250 8.3097 115.8025 54.2540 42.8234 176.5629 105 R 3.8317 7.5122 117.7133 57.1256 28.2355 177.2506 106 L 4.1608 7.8657 119.5122 57.8903 42.2715 179.5076 107 N 4.7690 8.0465 113.0024 53.5964 39.2076 175.1206 108 S 4.4764 7.8079 114.3790 57.0477 64.2500 174.7723 109 E 3.8346 8.6525 120.9077 59.0982 29.4298 177.0423 110 E 4.4077 7.9253 115.2912 56.1948 30.1346 177.9623 111 G 4.2440 8.4195 109.6659 47.3938 0.0000 176.0410 112 A 3.9540 7.5422 122.8776 54.7691 18.3246 179.2167 113 D 4.4022 7.8671 116.9291 57.5982 40.8141 178.7065 114 N 4.4044 8.4831 117.1369 56.2900 38.4931 177.1456 115 F 4.2894 8.4673 122.0469 61.4142 39.4358 177.2633 116 I 3.5701 8.0576 119.3615 64.4609 36.9824 177.9215 117 D 4.3601 8.2388 118.8702 57.3793 40.9593 177.6685 118 Y 3.9918 8.2689 120.4530 60.6337 38.7360 177.9841 119 I 3.3259 7.6698 120.8902 64.2872 37.1803 178.4366 120 K 3.8905 8.2930 119.6340 59.4937 31.8784 179.5190 121 V 3.5019 8.1628 118.6993 65.9943 31.5375 177.9682 122 Q 3.9462 8.0465 118.1536 58.9916 28.3665 178.9314 123 K 3.8210 8.1846 119.2920 59.4113 32.2348 178.4621 124 Q 4.1065 7.7418 117.3326 59.3602 28.8385 178.5949 125 D 4.5511 7.9642 117.7362 55.5263 41.0506 176.9086 126 I 3.9973 7.0362 120.6990 60.4851 37.3220 175.7157 127 V 3.5425 8.2515 126.6026 64.6850 31.8100 175.3908 128 K 4.3990 7.5231 123.3493 53.8053 33.8641 175.6522 129 L 4.1741 8.5516 129.2130 55.3478 42.7877 176.1065 130 T 4.6864 8.8420 115.9457 59.3376 71.4142 175.6754 131 V 3.5862 8.0436 121.7506 65.1034 31.0214 177.9602 132 Y 4.1043 7.4968 116.2892 60.5843 37.5713 177.7289 133 D 4.6206 8.0176 119.7609 57.7174 41.0096 178.5190 134 C 4.5297 8.2110 116.7398 62.8532 28.2105 176.0641 135 I 3.3316 8.0124 121.6862 64.4014 36.5647 178.4788 136 S 4.2226 8.2557 116.0917 62.0177 62.6214 176.5302 137 M 3.9093 8.5554 120.9889 58.5974 31.7706 178.3298 138 I 4.0641 8.1220 120.0590 64.5783 37.4256 178.4915 139 G 3.9067 8.4799 106.5440 47.8578 0.0000 175.4191 140 L 4.0569 8.3754 122.6568 58.2888 42.2157 178.6292 141 C 3.9582 8.4819 116.6542 62.8922 28.1290 176.0428 142 A 4.2595 8.6257 122.2330 55.6966 17.5207 179.5206 143 C 4.0862 8.2305 115.1526 62.8482 28.2385 176.6409 144 V 3.0749 7.7249 120.3027 65.6348 30.9024 178.5148 145 V 3.6995 8.0593 119.1401 64.7688 31.0711 178.1168 146 D 4.3082 7.8282 119.2845 57.1167 40.5900 178.7341 147 V 3.4798 7.0671 117.6847 65.8184 31.5054 178.1443 148 W 4.3892 7.6304 118.3314 59.7193 28.8638 178.3450 149 R 3.9386 8.4114 118.9244 59.8208 29.3476 178.3885 150 N 4.3677 8.0131 114.5587 55.8670 38.5823 176.2454 151 E 4.1301 7.7366 118.2248 55.9069 29.8988 176.6089 152 K 2.4800 7.3865 116.2813 57.5055 30.3551 177.3293 153 L 4.2362 7.1875 120.7091 53.6177 39.6716 177.7890 154 F 4.6358 7.7201 120.6978 60.1789 39.4405 177.7092 155 S 4.3996 8.1646 113.6320 59.6392 63.4999 175.6198 156 R 4.0571 7.8890 120.5399 57.4547 29.8362 178.1037 157 W 4.5521 8.0088 117.1752 59.6135 28.0026 178.1982 158 K 2.9695 6.6722 118.1112 59.4158 31.2309 178.7008 159 Y 3.9638 8.0705 116.6927 60.8767 37.6169 178.2238 160 C 4.2149 8.1447 117.6544 62.7755 28.1201 176.0995 161 L 4.0280 7.7041 120.0704 57.7298 41.1873 179.2252 162 R 3.8868 7.8961 118.1882 59.3293 29.9735 178.4929 163 A 4.0194 8.4416 120.7746 55.2227 18.4548 179.4082 164 I 3.8105 8.1495 118.7981 64.8731 37.0497 178.7364 165 K 4.0715 8.1447 117.6539 59.5219 31.8949 179.0871 166 L 4.1658 7.5724 118.6989 57.2177 41.6579 178.5078 167 F 4.5037 8.1883 119.3638 58.3727 39.8128 175.3890 168 I 4.3889 8.1640 120.1274 59.1597 38.3140 175.7430 169 N 4.7087 8.3961 123.8777 52.0070 39.7550 175.3949 170 D 4.3493 8.5644 120.0929 57.8530 40.7180 178.5944 171 H 4.1202 8.2423 118.1418 59.6650 29.8564 177.1299 172 M 4.0807 8.9947 120.8287 58.1345 31.6971 178.6719 173 L 4.0425 8.1955 119.4211 57.8438 41.7017 179.1802 174 D 4.3701 8.2498 118.7894 57.5320 40.8069 179.1628 175 K 3.9190 7.7845 118.4273 59.3352 31.8640 179.6209 176 I 3.6638 7.9557 120.3397 64.1583 37.0611 178.2253 177 K 3.9189 8.3935 120.8725 59.7961 32.0553 178.9343 178 S 4.3274 8.3908 115.5805 61.6045 62.6554 176.8652 179 I 3.7375 7.7917 122.4850 64.4597 36.9230 178.4208 180 L 4.1315 8.2829 120.0827 57.9741 41.5329 179.7035 181 Q 4.0615 8.3241 117.9958 58.9875 28.6393 178.5762 182 N 4.4068 8.1765 117.3606 56.5074 38.6573 177.7310 183 R 4.0853 8.4994 119.8653 59.3302 30.1320 179.1895 184 L 4.0972 8.2322 118.9053 57.5791 41.6248 179.6330 185 V 3.6266 7.7166 118.0433 66.1476 31.4788 177.5324 186 Y 4.1434 8.1706 119.4142 60.6253 38.6422 177.8429 187 V 3.5620 7.9920 119.2800 65.7172 31.5113 177.6799 188 E 3.8041 8.0661 119.0675 59.4965 29.3355 178.5309 189 M 3.9963 7.6515 119.5338 59.2456 32.1311 179.1242 190 S 4.1317 7.8004 119.9631 63.8071 62.3686 178.8631 191 K 4.3207 7.7091 128.6380 60.6311 31.6256 179.6658 *192 H 4.6920 7.8673 123.3533 56.6911 28.0955 176.9996 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 40 I 8.12 4.07 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.07 0.89 0.00 0.00 41 K 8.40 4.12 0.00 1.86 1.60 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.06 7.81 42 P 0.00 4.41 0.00 1.59 1.95 0.00 3.58 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.59 0.00 43 D 8.00 4.49 0.00 2.57 2.49 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 44 Y 9.04 4.35 0.00 3.13 2.84 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 45 L 7.73 3.12 0.00 0.67 1.37 0.68 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.62 4.75 0.00 1.86 1.81 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 2.19 2.07 0.00 47 Y 7.61 4.13 0.00 3.17 2.97 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 48 D 8.13 4.78 0.00 2.52 2.59 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 49 D 6.60 4.92 0.00 2.16 2.54 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 50 L 8.04 4.51 0.00 1.65 1.62 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 51 L 9.55 4.64 0.00 1.87 1.65 1.05 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.76 4.45 0.00 2.70 2.78 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 53 R 7.94 4.08 0.00 1.98 2.12 0.00 3.09 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 54 D 7.78 4.62 0.00 2.96 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 55 E 8.79 4.24 0.00 2.07 1.98 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 2.47 2.38 0.00 56 M 8.73 4.01 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.89 0.00 57 F 8.26 4.26 0.00 3.19 3.13 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 58 T 7.94 4.17 4.47 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 1.44 0.00 0.00 59 I 7.57 3.38 1.86 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.08 0.82 0.00 0.00 60 L 7.73 3.93 0.00 1.75 1.88 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.49 4.06 0.00 2.17 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 2.15 1.93 0.00 62 E 8.57 4.06 0.00 2.45 2.48 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 2.72 0.00 63 Y 8.11 3.24 0.00 2.33 2.63 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 64 F 8.32 4.13 0.00 3.40 3.35 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 65 M 7.92 2.55 0.00 1.60 1.05 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.71 0.00 66 Y 7.91 4.09 0.00 3.21 2.96 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 0.00 0.00 0.00 67 R 8.02 3.92 0.00 1.16 1.44 0.00 2.68 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 68 G 8.01 3.81 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 69 L 7.50 4.54 0.00 1.50 1.49 0.52 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.40 4.39 0.00 1.76 1.75 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.03 3.84 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 72 L 8.27 4.67 0.00 1.70 1.81 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.92 4.40 0.00 2.09 1.96 0.00 3.26 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 74 I 7.63 4.54 1.97 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 1.31 0.90 0.88 0.00 0.00 75 K 8.50 3.72 0.00 1.77 1.63 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 76 Y 7.13 4.99 0.00 3.17 3.10 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 77 G 8.45 3.99 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 78 R 9.23 3.96 0.00 1.98 2.02 0.00 3.13 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 79 L 7.97 3.98 0.00 2.11 1.98 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.42 4.28 0.00 3.15 3.10 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 81 N 8.42 4.22 0.00 3.09 3.13 0.00 0.00 7.28 7.38 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 82 E 8.03 4.07 0.00 2.19 1.90 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 2.51 2.53 0.00 83 I 7.17 2.00 0.90 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.63 -0.59 0.00 0.00 84 K 7.93 4.08 0.00 1.76 1.83 0.00 1.06 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.21 7.81 85 K 7.90 4.20 0.00 2.11 1.94 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.69 7.81 86 F 8.15 4.59 0.00 3.15 3.24 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 87 D 8.19 4.49 0.00 2.90 2.77 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 88 N 8.10 4.38 0.00 2.79 2.90 0.00 0.00 7.06 9.28 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 89 D 8.19 4.31 0.00 2.98 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 90 A 7.95 4.21 1.55 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 91 E 8.26 4.38 0.00 2.13 1.99 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 2.33 2.21 0.00 92 E 7.88 4.01 0.00 2.08 1.86 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 2.26 2.19 0.00 93 Q 7.56 4.26 0.00 1.76 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.87 0.00 94 F 8.46 5.02 0.00 3.22 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 95 G 8.05 3.98 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 0.00 0.00 0.00 96 T 8.06 4.15 4.49 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 1.22 0.00 0.00 97 I 8.25 3.66 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.35 0.88 0.00 0.00 98 E 8.11 3.92 0.00 2.08 1.97 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 2.39 2.41 0.00 99 E 8.03 3.90 0.00 2.04 2.11 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 2.29 2.34 0.00 100 L 7.76 3.83 0.00 1.63 1.52 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.42 3.85 0.00 1.84 1.93 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.39 7.81 102 Q 7.70 3.97 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 103 K 8.15 4.16 0.00 1.78 1.84 0.00 1.54 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.46 7.81 104 L 8.31 4.23 0.00 1.60 1.72 0.77 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.51 3.83 0.00 1.99 1.92 0.00 3.13 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 106 L 7.87 4.16 0.00 1.60 1.71 0.56 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.05 4.77 0.00 2.73 2.88 0.00 0.00 6.93 7.57 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 0.00 108 S 7.81 4.48 0.00 4.03 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 0.00 109 E 8.65 3.83 0.00 1.92 2.00 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 2.25 2.30 0.00 110 E 7.93 4.41 0.00 2.15 1.93 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 2.27 2.27 0.00 111 G 8.42 4.24 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 0.00 112 A 7.54 3.95 -0.10 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 0.00 113 D 7.87 4.40 0.00 2.83 2.76 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 0.00 114 N 8.48 4.40 0.00 3.03 2.93 0.00 0.00 6.63 8.22 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 F 8.47 4.29 0.00 3.26 3.49 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 0.00 116 I 8.06 3.57 2.12 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.02 0.96 0.00 0.00 117 D 8.24 4.36 0.00 2.86 2.82 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 0.00 118 Y 8.27 3.99 0.00 3.14 3.00 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 0.00 119 I 7.67 3.33 1.71 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.05 0.82 0.00 0.00 120 K 8.29 3.89 0.00 1.92 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 121 V 8.16 3.50 2.10 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 0.95 0.00 0.00 0.96 0.00 0.00 122 Q 8.05 3.95 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 1.63 2.06 0.00 123 K 8.18 3.82 0.00 1.70 1.92 0.00 1.22 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.11 7.81 124 Q 7.74 4.11 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 125 D 7.96 4.55 0.00 2.74 2.73 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 I 7.04 4.00 1.89 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.96 0.00 0.00 127 V 8.25 3.54 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00 128 K 7.52 4.40 0.00 1.69 1.65 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.35 7.81 129 L 8.55 4.17 0.00 1.51 1.48 0.69 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.84 4.69 4.30 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 1.29 0.00 0.00 131 V 8.04 3.59 1.88 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 0.25 0.00 0.00 0.70 0.00 0.00 132 Y 7.50 4.10 0.00 3.10 2.97 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 0.00 133 D 8.02 4.62 0.00 3.04 3.03 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 C 8.21 4.53 0.00 3.20 3.13 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 0.00 135 I 8.01 3.33 1.81 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.74 -0.14 0.00 0.00 136 S 8.26 4.22 0.00 4.16 3.99 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 0.00 137 M 8.56 3.91 0.00 1.91 1.43 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.06 0.00 138 I 8.12 4.06 2.38 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.80 1.23 0.00 0.00 139 G 8.48 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.38 4.06 0.00 1.91 1.90 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 141 C 8.48 3.96 0.00 3.41 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.63 4.26 1.59 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 0.00 143 C 8.23 4.09 0.00 3.13 2.94 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 0.00 144 V 7.72 3.07 1.48 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 -1.04 0.00 0.00 0.50 0.00 0.00 145 V 8.06 3.70 2.36 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 0.96 0.00 0.00 1.28 0.00 0.00 146 D 7.83 4.31 0.00 2.87 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 0.00 147 V 7.07 3.48 1.77 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 0.96 0.00 0.00 0.78 0.00 0.00 148 W 7.63 4.39 0.00 3.64 3.20 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 0.00 149 R 8.41 3.94 0.00 2.21 2.16 0.00 3.22 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.18 0.00 150 N 8.01 4.37 0.00 2.87 2.87 0.00 0.00 7.04 7.70 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 0.00 151 E 7.74 4.13 0.00 2.04 2.09 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 2.31 2.34 0.00 152 K 7.39 2.48 0.00 1.76 1.63 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.28 7.81 153 L 7.19 4.24 0.00 1.57 1.36 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 154 F 7.72 4.64 0.00 3.20 3.11 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 S 8.16 4.40 0.00 4.01 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 0.00 156 R 7.89 4.06 0.00 1.45 0.66 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.15 0.00 157 W 8.01 4.55 0.00 3.76 3.53 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 0.00 158 K 6.67 2.97 0.00 1.31 1.33 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 1.15 7.81 159 Y 8.07 3.96 0.00 3.13 3.23 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 0.00 160 C 8.14 4.21 0.00 2.70 1.86 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 0.00 161 L 7.70 4.03 0.00 1.77 1.83 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 162 R 7.90 3.89 0.00 1.75 2.06 0.00 3.08 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 163 A 8.44 4.02 1.46 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 0.00 164 I 8.15 3.81 2.29 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.07 1.24 0.00 0.00 165 K 8.14 4.07 0.00 1.95 1.86 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.65 7.81 166 L 7.57 4.17 0.00 1.83 1.77 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 167 F 8.19 4.50 0.00 3.12 3.10 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 0.00 168 I 8.16 4.39 2.11 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.12 1.02 0.00 0.00 169 N 8.40 4.71 0.00 2.98 2.93 0.00 0.00 6.19 8.07 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 0.00 170 D 8.56 4.35 0.00 2.71 2.78 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 0.00 171 H 8.24 4.12 0.00 3.23 3.48 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 M 8.99 4.08 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.86 0.00 173 L 8.20 4.04 0.00 1.90 1.79 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 174 D 8.25 4.37 0.00 2.82 2.69 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 0.00 175 K 7.78 3.92 0.00 1.81 1.74 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.43 7.81 176 I 7.96 3.66 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 1.06 0.00 0.00 177 K 8.39 3.92 0.00 1.92 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.52 7.81 178 S 8.39 4.33 0.00 4.03 3.90 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 0.00 179 I 7.79 3.74 2.01 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.99 0.00 0.00 180 L 8.28 4.13 0.00 1.87 1.77 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 8.32 4.06 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 182 N 8.18 4.41 0.00 2.99 2.91 0.00 0.00 7.05 7.62 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 0.00 183 R 8.50 4.09 0.00 2.04 2.22 0.00 3.30 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 184 L 8.23 4.10 0.00 1.93 1.74 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 185 V 7.72 3.63 2.31 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 1.05 0.00 0.00 1.05 0.00 0.00 186 Y 8.17 4.14 0.00 3.15 3.15 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 0.00 187 V 7.99 3.56 2.25 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 0.92 0.00 0.00 1.09 0.00 0.00 188 E 8.07 3.80 0.00 2.20 2.16 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 2.29 2.36 0.00 189 M 7.65 4.00 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 190 S 7.80 4.13 0.00 3.65 3.80 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 0.00 191 K 7.71 4.32 0.00 1.87 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.33 7.81 *192 H 7.87 4.69 0.00 3.03 2.86 0.00 7.20 0.00 0.00 0.00 0.00 6.98 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.