NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.6704 8.3644 120.5325 54.2350 43.1718 175.6808 12 M 4.6092 7.5301 115.9173 52.4445 32.0023 171.6238 13 P 4.4133 0.0000 0.0000 61.8856 33.8329 177.6729 14 V 3.5633 8.5644 122.2282 66.0902 31.3961 177.8623 15 E 3.9712 8.2702 117.8723 59.8190 29.3211 179.5650 16 R 3.9282 7.8233 117.8514 59.1509 30.0330 179.2410 17 I 3.6908 7.5509 119.3698 63.9750 37.2105 177.8905 18 L 3.9376 8.2423 121.6498 58.2998 41.8735 178.7579 19 E 3.9487 8.3478 118.2626 59.5081 29.1896 179.0735 20 A 3.9337 7.7405 119.4168 55.3804 18.1290 179.3654 21 E 4.2794 8.0860 116.3955 59.7578 29.8064 179.6380 22 L 4.1151 8.6228 119.0527 57.5853 41.4059 179.3382 23 A 4.2198 8.2486 120.0877 54.1341 18.4474 178.4194 24 V 4.0760 7.2139 107.3934 61.2317 32.3381 175.6700 25 E 3.8410 7.5331 118.7925 56.5092 28.2017 175.5141 *50 A 3.8332 8.1476 124.5914 52.6260 19.7403 176.4962 51 A 3.9536 10.0170 127.3905 53.6447 17.9141 177.4644 52 D 4.5977 8.5438 121.4230 54.3289 44.4296 174.2596 *53 K 4.0481 8.6212 121.9671 57.3295 28.9613 179.9765 54 Q 4.2562 8.8533 113.5693 57.4740 27.5095 173.0212 55 L 4.6019 7.5544 120.2818 55.5520 41.0738 178.8786 *56 F 4.4813 8.5141 120.6867 60.3195 38.1475 178.2741 57 T 4.3391 7.7727 108.6791 64.9918 68.8311 176.4451 58 L 4.0224 7.6002 122.5933 57.8915 42.0220 179.0013 59 V 3.5955 7.7316 117.8109 65.9045 31.4470 177.1011 60 E 3.9179 7.7299 117.2509 59.2420 29.6499 178.1357 61 W 4.2806 8.4673 127.9337 60.7329 30.8801 177.6830 62 A 3.0433 8.3482 120.4683 54.8595 17.4576 179.7710 63 K 4.1541 8.0522 116.1952 59.2847 32.1978 178.8882 64 R 4.2162 7.2099 115.3781 55.5532 30.4325 176.3060 65 I 3.8728 6.4630 120.8175 59.2634 38.1504 174.0018 66 P 4.0562 0.0000 0.0000 64.7082 31.8884 177.5032 67 H 4.6400 8.8802 116.2457 56.4467 27.7499 176.7703 68 F 4.3921 8.2667 121.8207 61.3941 39.2664 176.9197 69 S 4.2570 8.1170 114.1090 60.2764 62.9388 174.2556 70 D 4.6337 7.8383 119.7196 54.2577 41.0575 176.4384 71 L 4.1879 7.1920 119.5100 53.8813 42.5668 177.3452 72 T 3.8182 8.3468 117.0437 64.2665 70.0944 175.0513 73 L 3.8833 8.5375 125.7929 58.2845 42.0513 179.2444 74 E 3.9736 8.0830 117.9957 59.6083 29.5159 178.9487 75 D 4.3579 7.9943 118.3370 57.3141 40.9612 178.4307 76 Q 3.8126 8.2105 118.9423 59.0369 28.7023 179.4347 77 V 3.6568 7.8670 118.8691 66.0334 31.6293 177.8567 78 I 3.7603 8.0333 119.8000 64.7085 36.6348 178.3979 79 L 4.1568 8.5488 119.8909 57.9025 41.4871 179.6927 80 L 4.1683 8.2908 119.0162 57.9041 41.3502 179.7388 81 R 4.3082 8.2576 117.0659 58.8920 30.1512 178.3759 82 A 4.3788 8.3029 119.6760 53.6228 18.9216 178.6817 83 G 3.9579 7.8722 102.5848 44.6325 0.0000 175.2746 84 W 4.4233 8.2735 119.4021 59.9880 27.7852 177.9579 85 N 3.4105 6.7809 116.7237 56.2427 37.9129 176.6038 86 E 3.7782 7.7309 119.3951 59.3380 29.3877 179.2925 87 L 3.7955 7.8631 119.0659 57.5025 41.5256 179.4997 88 L 3.9390 7.8890 119.0509 57.4836 41.5157 179.5394 89 I 2.0000 7.2659 119.4017 63.6753 37.0441 178.1394 90 A 3.7248 7.7803 121.9189 55.1507 18.1256 179.5418 91 S 3.8211 7.4055 111.4916 61.5392 62.3489 176.4384 92 F 4.4346 7.7942 116.0714 59.3792 38.0693 177.4157 93 S 4.3243 7.8783 116.6912 61.9359 62.5087 175.9890 94 H 4.0651 8.0748 120.8169 59.2134 29.3987 177.1601 95 R 3.9594 7.9421 119.5066 59.2336 29.6618 177.6577 96 S 4.5057 7.8261 112.8441 58.7116 62.8028 176.0378 97 V 3.4408 7.3443 122.8553 65.8400 31.2480 177.2925 98 S 4.2368 7.8730 112.1986 61.1620 63.2466 175.1195 99 V 3.9531 7.7669 115.7294 61.7076 33.5703 177.7610 *100 Q 3.2616 7.4377 113.9150 53.9912 31.5018 178.7437 101 D 5.0528 9.0268 114.0807 52.6969 39.5178 173.2582 102 G 4.2429 7.6132 106.0191 46.1504 0.0000 170.8163 103 I 4.6754 8.8818 120.6737 59.3218 40.8722 174.4061 104 L 4.9346 9.3296 129.8268 53.3858 43.6446 175.3305 105 L 4.6641 8.9668 126.7537 52.5822 43.6755 177.9803 106 A 4.2037 8.8061 122.8127 53.4711 18.2151 177.5876 107 T 4.4678 8.4600 108.2158 62.2945 68.9477 175.8079 108 G 3.8530 8.3439 107.6460 46.5727 0.0000 173.9438 109 L 4.2782 7.4213 120.2311 54.4986 42.7850 175.4351 110 H 5.3332 8.8394 123.5675 54.4080 32.3970 172.4434 111 V 4.2139 8.7812 126.5531 61.4322 33.6934 175.0301 112 H 5.0118 8.3799 124.6878 54.5331 30.5192 175.9204 113 R 3.4221 8.1793 120.3983 59.9894 29.6431 178.9269 114 S 4.0485 7.8235 113.1289 61.5257 63.1687 176.4381 115 S 4.0407 7.7417 117.9671 60.6557 62.5261 176.5657 116 A 3.5695 7.1221 123.2121 55.2517 18.1340 179.1555 117 H 4.0243 7.7631 114.5122 59.1855 28.5549 178.1464 118 S 4.1177 7.7663 115.4798 61.5471 62.7813 176.1698 119 A 4.3242 7.6371 120.7817 52.6502 18.2145 178.2996 120 G 3.8931 7.8385 105.3173 45.8611 0.0000 174.4892 121 V 4.4026 7.7466 111.4655 60.7683 32.3206 178.1496 122 G 3.2152 8.0277 110.5075 47.5039 0.0000 176.2790 123 S 4.1026 7.9116 116.0320 61.5393 63.0015 176.4267 124 I 3.7414 7.6792 122.3027 63.3288 37.9025 177.0798 125 F 3.9561 8.3891 121.5748 61.7211 39.0519 176.8890 126 D 4.6016 8.4085 118.1916 57.0761 40.6564 178.9863 127 R 3.9096 7.8074 118.8685 59.0034 30.0270 178.8560 128 V 3.4817 7.9079 118.1435 66.1353 31.4228 177.9144 129 L 3.9354 7.7833 118.6066 57.9942 41.3116 179.7076 130 T 3.9995 7.8477 108.1386 64.6288 69.2904 176.5357 131 E 4.1634 8.4753 120.5323 58.1854 29.8026 176.7037 132 L 4.4985 8.0108 116.3807 55.5877 43.8942 178.5201 133 V 3.5276 7.5079 117.0178 66.6342 31.8001 178.6234 134 S 4.1144 8.4151 112.5479 60.8775 61.9663 175.9936 135 K 4.0916 7.9266 120.8627 59.0941 31.9675 178.9512 136 M 4.0548 8.3902 119.6520 58.0271 31.8485 178.5591 137 K 3.8700 8.1512 119.7766 59.7822 32.2314 178.4977 138 D 4.3584 7.7085 117.3444 57.2437 40.8106 177.4907 139 M 4.1800 7.6941 113.3779 54.5311 32.2117 175.5861 140 Q 3.4209 7.7728 117.9292 56.8799 26.7745 174.0718 141 M 4.1401 8.1907 116.7431 56.0820 33.2049 175.6716 142 D 5.0235 9.0345 125.9474 51.7770 43.1644 177.6965 143 K 3.8847 8.4520 118.1413 59.7107 31.9669 179.7931 144 S 4.0132 8.0962 115.0047 61.2958 62.6766 176.4509 145 E 3.9824 9.0210 121.9351 59.0383 29.2131 178.7137 146 L 3.9699 8.0677 120.6350 58.3255 42.0881 179.2914 147 G 4.3047 8.3332 105.6903 48.1036 0.0000 175.3835 148 C 4.3364 8.0354 118.5615 62.5410 28.1360 176.2392 149 L 4.0503 8.0947 120.7557 57.8086 41.1795 179.7498 150 R 3.8690 8.4561 118.2807 58.9963 29.8533 178.8670 151 A 3.9961 8.7288 121.1291 55.2212 18.1684 179.5847 152 I 3.8231 7.8668 117.2984 64.7723 37.3191 178.4781 153 V 3.7393 7.6862 117.5821 65.7114 31.3804 177.4761 154 L 4.1262 8.1048 119.5206 57.6949 43.3837 178.6881 155 F 5.1789 7.9560 118.5373 55.4914 36.2028 174.5275 156 N 4.7757 7.8888 118.1636 51.2153 38.6958 173.2483 157 P 4.5572 0.0000 0.0000 64.0602 31.6663 176.7528 158 D 4.6767 8.1407 118.0925 54.1227 41.1223 176.5294 159 A 4.1474 7.9166 124.9417 51.5737 18.8849 177.1538 160 K 4.2648 8.4901 122.9628 57.4135 33.3530 177.0390 161 G 4.0695 9.0509 110.0398 45.3309 0.0000 174.0148 162 L 4.1498 7.2673 120.5352 54.7518 42.1917 177.4925 163 S 4.2480 9.0097 119.9791 61.1623 62.9190 174.3139 164 N 4.8602 7.5483 120.2933 49.3996 39.2197 172.1608 165 P 4.2856 0.0000 0.0000 66.0955 31.1428 178.1320 166 S 4.1620 8.3333 114.4145 61.3564 62.6449 176.6313 167 E 3.8990 7.9265 120.8875 59.2605 29.2908 179.3982 168 V 3.5618 7.6967 117.8561 65.7083 31.5537 177.5849 169 E 3.9215 8.4981 119.5882 59.6135 29.5777 178.8574 170 T 3.7424 7.9906 115.9191 66.6944 68.5018 176.5818 171 L 3.6303 7.6465 120.7649 57.4246 41.4312 179.6000 172 R 3.9505 7.9156 118.6501 59.5307 30.1090 178.2471 173 E 2.5400 7.9834 118.3886 58.9859 29.4455 179.6614 174 K 3.8337 7.8136 118.2367 59.3388 32.0525 179.5902 175 V 3.6515 7.7014 118.7258 66.2088 31.4361 177.6764 176 Y 4.4386 7.9467 117.3055 59.8183 38.0137 177.3942 177 A 4.0384 8.0364 122.7635 55.6728 18.4535 179.8025 178 T 3.8761 7.9121 113.8053 66.4699 68.5878 176.7672 179 L 4.0621 8.3059 122.4350 58.1953 42.2340 178.4268 180 E 3.3408 8.3160 119.3420 59.1548 29.3790 178.7070 181 A 3.9327 7.8971 120.5724 55.4145 18.6155 179.0085 182 Y 4.2232 8.2182 117.9745 60.9042 38.7365 178.1332 183 T 4.2010 7.8743 113.7231 64.8438 67.3669 176.7404 184 K 4.0445 7.9134 119.6265 59.2870 32.1243 179.0930 185 Q 4.0602 7.9374 117.9077 57.8308 28.7210 177.3800 186 K 4.0826 7.5293 118.2280 56.0346 35.0810 175.7526 187 Y 4.8830 7.8191 116.0889 55.8092 37.9700 174.5205 188 P 4.3995 0.0000 0.0000 65.1020 32.3209 178.4921 189 E 4.1480 8.2414 115.8809 58.0806 30.1010 177.1180 190 Q 4.5984 7.7447 120.1174 53.0435 28.1733 174.1312 191 P 4.3466 0.0000 0.0000 64.7200 32.1157 178.9267 192 G 4.0562 7.9261 104.6853 44.6427 0.0000 175.1040 193 R 3.8908 7.9948 123.5628 58.9669 30.0018 178.2956 194 F 4.3372 8.3454 119.8204 61.4494 39.4682 176.6485 195 A 3.6734 8.0586 119.6933 55.1219 17.9620 179.3365 196 K 3.8406 7.7178 116.7140 59.3881 32.4918 178.8809 197 L 4.0624 7.9422 119.3017 57.8783 41.4029 179.4791 198 L 3.9101 7.5708 118.5972 57.2252 41.2098 178.6270 199 L 4.3252 7.4710 116.5083 55.2923 42.1409 178.2146 200 R 4.1480 7.7511 118.8956 57.7543 30.1154 178.5621 201 L 3.9581 7.4995 119.5591 57.0330 41.5268 177.2976 202 P 4.1571 0.0000 0.0000 65.5510 31.2858 178.2066 203 A 3.9338 7.9593 118.9051 55.2267 18.1634 179.2480 204 L 3.7878 7.8705 118.6100 58.1720 42.1300 179.1629 205 R 3.9325 8.0861 120.1871 58.9210 30.0541 178.3909 206 S 4.0323 8.3144 113.2906 61.5879 62.3524 176.2711 207 I 3.8746 8.2486 123.0335 63.9569 36.5532 178.6965 208 G 3.4286 8.0008 106.3092 47.6390 0.0000 175.4757 209 L 4.0817 7.7638 121.6280 57.5287 41.2691 179.8548 210 K 3.9870 8.0336 118.3305 59.6283 31.8389 179.2569 211 C 4.1510 8.2706 117.1491 62.5873 27.7769 175.9429 212 L 4.1239 7.6653 121.9268 57.4821 41.1925 178.5173 213 E 4.0250 7.5114 114.4041 56.1440 29.3120 178.1868 214 H 4.3234 9.5873 125.5898 56.3467 27.9214 174.6578 215 L 3.3445 7.7320 122.6109 54.4765 44.2018 176.5097 216 F 4.9040 6.7845 120.5846 57.6025 40.8740 176.2748 *217 F 4.6132 9.3201 115.6338 56.8503 39.8496 175.7846 218 F 4.5710 8.4671 121.0753 58.8553 36.1857 173.6525 219 K 4.6170 9.1759 125.6588 52.1576 34.1303 173.9110 220 L 4.9685 9.9485 132.1415 55.9988 38.7806 176.4082 *221 I 3.3705 7.5661 113.1238 60.7028 33.2730 177.1248 222 G 4.0144 7.3422 108.5827 46.5769 0.0000 176.9791 223 D 4.5693 7.6491 119.2323 54.8580 39.3144 177.4284 224 T 3.7897 7.8288 112.1545 62.0331 70.1543 173.0283 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 11 D 8.36 4.67 0.00 2.65 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 7.53 4.61 0.00 1.97 1.91 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 2.50 2.73 0.00 13 P 0.00 4.41 0.00 2.22 1.97 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 14 V 8.56 3.56 2.07 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 0.84 0.00 0.00 1.01 0.00 0.00 15 E 8.27 3.97 0.00 2.10 2.01 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 2.43 2.51 0.00 16 R 7.82 3.93 0.00 1.94 1.94 0.00 3.10 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 17 I 7.55 3.69 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.95 0.00 0.00 18 L 8.24 3.94 0.00 1.84 1.81 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.35 3.95 0.00 2.20 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 2.34 2.51 0.00 20 A 7.74 3.93 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.09 4.28 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.75 0.00 22 L 8.62 4.12 0.00 1.66 1.74 0.94 0.87 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 23 A 8.25 4.22 1.35 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 0.00 0.00 24 V 7.21 4.08 2.15 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 0.89 0.00 0.00 1.12 0.00 0.00 25 E 7.53 3.84 0.00 2.05 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 2.38 2.49 0.00 *50 A 8.15 3.83 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 10.02 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.54 4.60 0.00 2.66 2.38 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 *53 K 8.62 4.05 0.00 1.96 1.60 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.22 0.98 7.81 54 Q 8.85 4.26 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.26 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 55 L 7.55 4.60 0.00 1.67 1.72 1.01 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *56 F 8.51 4.48 0.00 2.25 2.28 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 0.00 0.00 0.00 0.00 57 T 7.77 4.34 4.28 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 0.00 0.00 0.00 1.27 0.00 0.00 58 L 7.60 4.02 0.00 1.86 1.86 0.90 0.92 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 59 V 7.73 3.60 2.13 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 1.12 0.00 0.00 0.97 0.00 0.00 60 E 7.73 3.92 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 61 W 8.47 4.28 0.00 3.47 3.39 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 62 A 8.35 3.04 0.82 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 0.00 0.00 63 K 8.05 4.15 0.00 1.89 1.92 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.68 7.81 64 R 7.21 4.22 0.00 1.68 1.85 0.00 3.14 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 65 I 6.46 3.87 1.44 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.36 0.82 0.00 0.00 66 P 0.00 4.06 0.00 2.27 1.95 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 67 H 8.88 4.64 0.00 3.33 3.42 0.00 5.90 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.27 4.39 0.00 3.27 3.31 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 0.00 0.00 0.00 0.00 69 S 8.12 4.26 0.00 3.94 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 70 D 7.84 4.63 0.00 2.89 2.66 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 0.00 0.00 0.00 0.00 71 L 7.19 4.19 0.00 1.40 1.44 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.35 3.82 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 1.37 0.00 0.00 73 L 8.54 3.88 0.00 1.73 1.65 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.08 3.97 0.00 2.09 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 2.40 2.47 0.00 75 D 7.99 4.36 0.00 2.85 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 76 Q 8.21 3.81 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 1.37 2.25 0.00 77 V 7.87 3.66 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.99 0.00 0.00 78 I 8.03 3.76 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.86 1.01 0.00 0.00 79 L 8.55 4.16 0.00 2.10 2.06 1.25 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.29 4.17 0.00 1.93 1.84 1.09 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.26 4.31 0.00 2.08 2.12 0.00 3.18 0.00 0.00 3.47 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 82 A 8.30 4.38 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.87 3.96 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 0.00 0.00 0.00 84 W 8.27 4.42 0.00 3.64 3.57 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 0.00 0.00 0.00 0.00 85 N 6.78 3.41 0.00 1.44 2.23 0.00 0.00 7.21 7.65 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 86 E 7.73 3.78 0.00 1.90 1.83 0.00 0.00 0.00 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 2.23 0.00 87 L 7.86 3.80 0.00 1.71 1.37 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.89 3.94 0.00 1.83 1.81 0.97 0.79 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 89 I 7.27 2.00 1.52 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.47 0.57 0.00 0.00 90 A 7.78 3.72 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0.00 148 C 8.04 4.34 0.00 3.20 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 0.00 149 L 8.09 4.05 0.00 1.83 1.68 0.94 0.84 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 0.00 150 R 8.46 3.87 0.00 1.81 1.51 0.00 2.75 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 151 A 8.73 4.00 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 0.00 152 I 7.87 3.82 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 1.04 0.00 0.00 153 V 7.69 3.74 2.20 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 0.73 0.00 0.00 0.95 0.00 0.00 154 L 8.10 4.13 0.00 1.78 1.59 0.75 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 155 F 7.96 5.18 0.00 3.21 3.12 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 0.00 0.00 0.00 156 N 7.89 4.78 0.00 3.03 2.80 0.00 0.00 6.82 7.71 0.00 0.00 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 P 0.00 4.56 0.00 2.26 2.20 0.00 3.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 158 D 8.14 4.68 0.00 2.90 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 0.00 159 A 7.92 4.15 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 0.00 160 K 8.49 4.26 0.00 1.90 1.86 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 161 G 9.05 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.27 4.15 0.00 1.52 1.65 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 163 S 9.01 4.25 0.00 3.85 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 0.00 164 N 7.55 4.86 0.00 2.83 2.62 0.00 0.00 6.96 7.59 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 0.00 165 P 0.00 4.29 0.00 2.31 2.52 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 166 S 8.33 4.16 0.00 4.09 3.96 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 0.00 167 E 7.93 3.90 0.00 2.14 1.92 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 2.27 2.27 0.00 168 V 7.70 3.56 2.27 0.00 0.00 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 1.04 0.00 0.00 169 E 8.50 3.92 0.00 2.13 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 0.00 2.31 2.38 0.00 170 T 7.99 3.74 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 1.10 0.00 0.00 171 L 7.65 3.63 0.00 1.08 0.17 0.47 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 172 R 7.92 3.95 0.00 2.26 2.12 0.00 3.25 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 173 E 7.98 2.54 0.00 2.01 1.72 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 2.28 2.36 0.00 174 K 7.81 3.83 0.00 1.83 1.76 0.00 1.55 0.00 0.00 1.36 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.38 7.81 175 V 7.70 3.65 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 1.30 0.00 0.00 1.23 0.00 0.00 176 Y 7.95 4.44 0.00 3.49 3.37 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 0.00 0.00 0.00 0.00 177 A 8.04 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 7.91 3.88 4.53 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 1.27 0.00 0.00 179 L 8.31 4.06 0.00 2.05 2.19 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 180 E 8.32 3.34 0.00 1.16 1.50 0.00 0.00 0.00 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 1.47 0.00 181 A 7.90 3.93 1.34 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 0.00 0.00 182 Y 8.22 4.22 0.00 3.13 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 4.20 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 184 K 7.91 4.04 0.00 1.76 1.84 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.73 7.81 185 Q 7.94 4.06 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 186 K 7.53 4.08 0.00 1.11 1.16 0.00 1.45 0.00 0.00 1.38 0.00 0.00 2.55 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.75 7.81 187 Y 7.82 4.88 0.00 3.06 2.80 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 0.00 188 P 0.00 4.40 0.00 2.17 2.30 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 189 E 8.24 4.15 0.00 2.12 2.15 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 2.33 2.31 0.00 190 Q 7.74 4.60 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 191 P 0.00 4.35 0.00 2.20 2.21 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 192 G 7.93 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 R 7.99 3.89 0.00 2.02 1.97 0.00 2.64 0.00 0.00 2.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 194 F 8.35 4.34 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 0.00 195 A 8.06 3.67 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 196 K 7.72 3.84 0.00 1.86 2.00 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.44 7.81 197 L 7.94 4.06 0.00 1.85 1.65 1.08 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 198 L 7.57 3.91 0.00 1.51 1.45 0.05 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 199 L 7.47 4.33 0.00 1.59 1.63 0.86 0.73 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 0.00 200 R 7.75 4.15 0.00 1.95 1.90 0.00 3.28 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 201 L 7.50 3.96 0.00 1.71 1.66 0.89 0.86 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 0.00 202 P 0.00 4.16 0.00 2.11 2.06 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 203 A 7.96 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 L 7.87 3.79 0.00 1.82 1.77 0.79 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 205 R 8.09 3.93 0.00 1.97 2.03 0.00 3.20 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 206 S 8.31 4.03 0.00 3.95 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 0.00 207 I 8.25 3.87 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.45 0.86 0.00 0.00 208 G 8.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 L 7.76 4.08 0.00 1.81 1.68 0.88 0.69 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 0.00 210 K 8.03 3.99 0.00 1.97 1.83 0.00 1.58 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.50 7.81 211 C 8.27 4.15 0.00 3.05 2.92 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 0.00 212 L 7.67 4.12 0.00 1.74 1.71 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 213 E 7.51 4.03 0.00 2.00 1.82 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 2.26 2.15 0.00 214 H 9.59 4.32 0.00 3.28 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 L 7.73 3.34 0.00 1.07 1.14 0.95 0.62 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 0.00 216 F 6.78 4.90 0.00 2.89 2.14 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 *217 F 9.32 4.61 0.00 2.29 2.20 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 0.00 218 F 8.47 4.57 0.00 3.19 3.57 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 0.00 0.00 0.00 0.00 219 K 9.18 4.62 0.00 1.75 1.56 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.00 7.81 220 L 9.95 4.97 0.00 1.77 1.85 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 *221 I 7.57 3.37 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 1.35 0.51 0.91 0.00 0.00 222 G 7.34 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 0.00 0.00 0.00 223 D 7.65 4.57 0.00 2.67 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 0.00 224 T 7.83 3.79 4.23 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.