NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3919 8.1927 117.0809 57.6936 63.2961 174.0997 6 D 4.1770 8.4086 126.7123 55.5787 40.8599 176.1366 7 R 4.0446 8.6242 118.1424 58.0539 30.7738 176.9961 8 T 2.8437 7.0301 113.4216 62.2679 70.7854 175.4546 9 D 4.3763 7.0340 122.4670 52.7815 37.0333 175.9150 10 W 4.9465 6.8250 123.6075 60.1647 30.0226 178.2568 11 V 3.8405 8.2356 115.6206 66.1003 31.4430 176.6059 12 A 4.2277 8.7339 122.7196 55.4614 18.5288 181.4817 13 L 4.1391 7.8734 116.5705 54.6340 40.9812 179.4125 *15 R 4.1997 8.1462 120.3701 56.2993 32.1432 177.0992 16 A 4.0430 7.9662 119.7337 55.2622 18.1927 179.7194 17 I 3.5325 7.6792 117.9397 64.1886 36.9065 178.5320 18 R 3.7055 7.7980 118.0714 59.5334 30.0661 177.5651 19 D 4.5748 7.8877 115.9422 55.3740 41.3348 176.9501 20 H 4.8959 7.9754 113.2441 54.2168 30.8480 173.2374 21 R 3.3765 7.6273 117.3856 56.8387 28.3457 177.8458 22 D 4.6369 7.9488 116.6236 54.3974 41.2225 174.6269 23 E 4.2971 8.9659 127.6016 59.0232 29.5725 179.0062 24 A 4.0410 8.2584 120.4282 55.1210 18.5337 179.0526 25 A 4.0715 8.7646 119.6700 55.5724 18.4426 179.6295 26 F 4.2753 8.4614 118.2452 61.3730 39.4663 177.1439 27 A 3.9204 8.4192 120.4816 55.2319 17.9608 179.0364 28 E 4.0340 8.8599 117.4747 59.9018 29.5640 179.7923 29 L 3.9650 8.4087 118.7882 57.8470 41.7520 179.2894 30 F 3.7926 8.3401 120.7553 61.3961 39.0807 176.8888 31 Q 4.1460 8.5103 117.5675 58.3007 28.8016 176.6778 32 H 4.4061 7.3192 118.7360 58.4045 30.6127 176.5985 33 F 4.0449 7.8280 119.2366 59.5100 38.8161 177.7569 34 A 3.6495 7.3883 120.6832 54.8461 18.0098 178.0550 35 P 4.1614 0.0000 0.0000 65.4115 31.2632 179.0657 36 K 4.0044 7.2289 117.7439 59.2526 31.9921 179.5674 37 V 3.6306 8.1384 118.9783 65.4770 31.1164 178.1568 38 K 3.9969 7.8188 119.1475 59.4903 32.2697 178.6274 39 G 3.8268 7.9632 104.6955 47.7435 0.0000 174.9527 40 F 4.3919 8.5634 122.9776 61.0314 39.5536 179.1774 41 L 3.8695 7.9655 117.6740 54.9625 41.3260 179.3417 *43 K 3.9538 8.1228 120.4635 56.5004 33.8177 178.1161 44 S 3.9294 7.4003 113.1188 59.6588 62.7965 174.9921 45 G 4.0257 7.5168 108.8382 45.3971 0.0000 173.7987 46 S 4.6079 7.4851 114.8627 56.9915 64.4358 174.7226 47 V 3.9211 8.1409 121.3212 62.5322 33.3277 176.4586 48 A 3.8520 8.4892 126.9494 55.5787 18.4305 179.8130 49 S 4.1271 8.3128 113.5216 62.6861 62.8394 177.4903 50 Q 4.0967 8.0689 123.1254 59.2388 27.8617 179.9043 51 A 4.1225 8.1353 121.5604 55.5792 18.5373 179.1653 52 E 3.5870 8.4901 118.0878 59.4156 29.6750 178.7622 53 E 3.9011 8.0485 118.7533 59.4613 29.7655 178.4546 54 C 4.1074 8.0777 118.4568 62.5130 31.4221 174.6813 55 A 3.9360 8.5347 122.0007 55.7141 17.9360 178.9297 56 Q 4.3729 8.0366 115.2048 59.4911 29.2949 179.0968 57 D 4.5642 7.9821 118.1508 57.1790 41.1985 178.9805 58 V 3.3704 8.2069 115.5762 63.6874 31.3088 177.2300 *60 A 4.4197 7.9876 122.1936 52.0961 20.6009 180.0470 61 T 4.0360 7.9734 112.6786 66.5173 68.1528 177.0972 62 V 3.6094 7.8458 119.7168 65.7555 31.4599 177.6592 63 W 4.3046 8.4382 127.4704 60.7094 30.4649 177.8930 64 Q 4.2131 8.2921 116.6401 58.3977 28.4068 177.9855 65 K 4.5021 8.6472 117.8164 56.1387 32.6284 178.0663 66 A 4.1403 7.7118 125.3263 55.7852 18.3016 180.5337 67 H 4.2965 7.9948 109.3975 57.8823 28.8295 176.3567 68 L 4.2249 7.9304 119.4580 55.9656 41.8708 176.8374 69 F 3.2694 7.3730 121.7645 57.5126 39.4138 173.9877 70 D 4.3742 7.3474 127.7537 51.3336 41.3755 174.0657 71 P 4.3696 0.0000 0.0000 63.1999 31.0713 177.1576 72 S 4.5869 8.4920 113.2669 58.5356 63.7067 174.6802 73 R 4.4820 7.6864 118.3768 56.1185 32.0718 175.0206 74 A 4.4700 7.2247 118.8689 50.1515 21.9166 175.6165 75 S 4.8978 8.2707 115.3642 57.6926 65.7983 175.5977 76 V 3.4877 8.4077 120.6156 65.9266 31.2399 177.7500 77 A 3.6157 7.9534 120.1021 55.0901 18.1540 179.6194 78 T 3.9978 7.8061 114.2244 66.2995 68.6094 176.9098 79 W 4.3141 8.3910 130.3823 60.6839 30.8624 178.0538 80 I 3.2289 8.0827 120.1531 64.1930 36.4471 178.0638 81 F 4.0144 8.1613 121.3948 61.6392 38.5927 177.1584 82 T 3.4299 7.8632 115.3782 66.6726 67.9990 176.4391 83 I 3.6465 6.9650 119.9790 63.4087 37.1573 178.0419 84 A 4.0961 7.3846 121.6656 55.0000 18.3315 179.6120 85 R 4.0884 7.7383 114.4679 58.9320 29.6601 177.7866 86 N 4.6375 7.4659 115.2840 53.2645 38.2669 175.1949 87 R 4.2743 7.2195 116.2118 55.0324 30.5877 175.9413 88 R 4.0893 8.2504 118.4546 56.3520 30.6329 176.0591 89 I 4.4460 7.7554 125.1391 59.4154 38.0811 176.4249 90 D 4.2675 8.1419 124.2150 56.2870 40.0937 179.9221 91 G 3.5224 7.9812 108.4698 46.0133 0.0000 173.6333 92 L 4.6293 7.9876 118.6539 54.7787 43.6962 176.1467 93 R 4.5644 7.2287 112.7630 55.2502 32.4088 175.0931 94 K 4.1340 8.7029 117.6622 58.9286 32.7108 175.8060 95 D 4.8575 7.4545 117.9022 54.4821 42.8178 176.1165 96 R 4.7894 7.6131 118.8186 54.7173 34.5002 176.2884 97 Q 4.0108 8.0282 119.5155 56.5324 29.4703 174.9604 98 P 4.3445 0.0000 0.0000 62.6398 31.9256 175.4298 99 E 4.7810 8.3760 120.5102 53.2211 32.3556 173.9338 100 P 4.4095 0.0000 0.0000 62.0618 32.0783 175.5293 101 E 3.7555 8.6539 119.1221 56.9095 29.7067 176.4379 102 D 4.4880 8.6654 125.6012 54.0568 41.0190 175.7266 103 L 4.2607 8.3879 125.3293 52.6740 42.8185 175.9128 104 F 5.0070 7.1537 117.4997 54.5747 41.1083 174.0209 105 W 4.3872 8.9940 121.9914 55.9123 29.8786 177.0885 106 G 4.0796 8.7356 112.3118 44.1009 0.0000 172.4410 107 P 4.3930 0.0000 0.0000 64.9421 31.3085 177.5332 108 D 4.4773 8.3327 120.8507 56.4524 39.6796 176.1952 109 S 4.7084 7.6345 113.3158 57.6982 66.1256 175.2431 110 E 4.1236 8.0096 113.0157 56.0552 32.8122 173.8374 111 P 3.3404 0.0000 0.0000 62.2177 31.8605 176.4595 112 D 4.3913 8.4050 122.0421 55.0096 42.2177 178.1413 113 Q 3.9379 8.8588 125.4530 60.5323 27.8662 177.3076 114 A 4.2487 7.8778 121.4436 55.4393 18.4093 179.2016 115 D 4.3219 8.0957 115.4513 57.5591 40.9210 179.0393 116 V 3.8224 7.7959 117.9678 66.1755 32.0238 177.0272 117 Y 4.3110 8.3307 119.6471 60.6929 38.4783 177.8713 118 E 3.9055 8.2578 117.8177 56.9921 29.6492 178.7476 *120 Q 4.3200 8.0983 120.6038 56.2242 31.1099 177.8103 121 Q 3.8040 7.6064 116.5818 59.0586 28.7477 178.3352 122 E 3.9219 8.4442 119.8880 59.4860 29.4210 179.2280 123 N 4.2616 8.0730 116.2087 56.7543 39.2092 176.6351 124 A 4.0749 8.0827 122.1839 55.1021 18.2603 179.6466 125 R 3.8260 8.0620 117.4643 59.4409 30.1468 178.5132 126 L 4.0242 8.0273 120.3765 57.9119 42.0844 178.9224 127 G 3.6326 8.4427 106.1499 47.8910 0.0000 175.1722 128 R 3.8823 8.0664 121.6475 58.9587 29.8265 178.0951 129 A 4.0281 7.9448 118.9270 55.4077 18.4497 179.0489 130 I 3.7635 8.1238 118.3135 64.7770 37.0031 178.3869 131 A 4.0520 7.8756 119.8401 54.9300 18.2362 178.9019 132 R 4.3584 7.3209 113.5934 55.2407 30.6870 176.7913 133 L 4.1832 7.1008 120.2181 53.5494 42.4149 175.4500 134 P 4.3364 0.0000 0.0000 62.6562 31.6404 176.9131 135 E 3.9100 8.8769 120.7356 58.5267 29.7390 178.3044 136 A 4.3707 8.0985 119.9592 55.4452 19.6613 179.4541 137 Q 4.0254 7.9322 115.9022 58.7601 28.7876 178.5403 138 R 3.9797 8.0406 119.1088 58.8199 30.1490 178.0080 139 A 4.2582 7.9742 122.7669 55.0059 18.6437 179.6968 140 L 3.9515 7.6898 120.9024 59.8305 40.8946 182.0190 141 I 4.0257 7.6564 120.6890 64.3460 37.0226 178.4090 142 E 3.6925 8.0061 118.8967 59.4918 29.4071 179.2959 143 R 4.0240 8.6942 118.7752 59.4771 29.7471 178.4473 144 A 3.8924 7.4938 119.5382 55.0242 18.5483 178.8896 145 F 4.2931 7.4514 112.2071 57.9683 39.0776 176.6577 146 F 5.2366 7.7957 117.3792 58.6551 41.0306 175.5246 147 G 4.1324 9.1223 107.2793 44.0390 0.0000 177.8085 148 D 3.9760 8.0143 118.1084 53.0161 41.1206 180.2812 *159 G 3.7596 8.5576 112.8694 46.7357 0.0000 171.2401 160 L 4.8869 7.7919 125.3498 51.4014 45.4762 175.9254 161 P 4.5817 0.0000 0.0000 63.4573 31.2820 178.2960 162 L 4.1140 8.1189 122.1539 58.4236 41.3242 179.2498 163 G 3.8424 8.1908 105.4536 48.3318 0.0000 175.5120 164 T 3.8736 7.7724 118.3303 66.2587 68.5056 176.8671 165 I 3.6940 7.6877 121.1187 64.1425 37.2055 178.0484 166 K 3.8604 8.7618 121.0272 59.6586 31.9043 178.5927 167 S 4.0920 8.2610 113.2892 61.4430 62.1407 176.3111 168 R 3.9042 7.8961 120.5047 59.4020 29.8718 178.9891 169 I 3.7946 7.7186 119.4910 64.4102 36.9795 178.2620 170 R 3.8579 8.0668 119.3880 59.3938 29.6007 178.2557 171 L 3.9088 8.0900 119.7742 58.2902 42.2687 178.8307 172 A 4.0842 9.0066 121.8024 55.1284 18.0261 179.6126 173 L 3.9325 8.3530 117.2906 57.8067 41.9935 178.8595 174 D 4.4243 7.9282 117.9681 57.3312 41.2104 178.1922 175 R 4.0709 7.6716 118.3392 59.6061 29.9272 178.4817 176 L 3.0043 7.8065 119.4916 58.3541 41.5503 179.4785 177 R 3.6995 7.4651 116.9468 59.2154 30.0652 178.7122 178 Q 4.0939 7.9261 117.0202 58.8177 28.7510 175.8345 179 H 4.2614 7.5269 123.1672 56.3194 29.8730 174.5780 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 5 S 8.19 4.39 0.00 3.67 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 6 D 8.41 4.18 0.00 2.73 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 7 R 8.62 4.04 0.00 1.73 1.94 0.00 3.22 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 8 T 7.03 2.84 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 0.67 0.00 0.00 9 D 7.03 4.38 0.00 2.50 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 W 6.82 4.95 0.00 3.44 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 11 V 8.24 3.84 2.18 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 0.90 0.00 0.00 1.13 0.00 0.00 12 A 8.73 4.23 1.49 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 0.00 0.00 13 L 7.87 4.14 0.00 2.14 1.89 1.26 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 8.15 4.20 0.00 1.93 2.19 0.00 3.19 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 16 A 7.97 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.68 3.53 1.81 0.00 0.00 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 1.62 1.52 0.29 0.00 0.00 18 R 7.80 3.71 0.00 1.73 2.07 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 19 D 7.89 4.57 0.00 2.32 2.43 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 20 H 7.98 4.90 0.00 3.18 3.25 0.00 5.80 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.63 3.38 0.00 2.00 2.33 0.00 3.31 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 22 D 7.95 4.64 0.00 2.83 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 23 E 8.97 4.30 0.00 2.12 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 2.60 0.00 24 A 8.26 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.76 4.07 1.57 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 0.00 0.00 26 F 8.46 4.28 0.00 3.74 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.42 3.92 1.44 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 28 E 8.86 4.03 0.00 2.39 2.29 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 2.65 2.63 0.00 29 L 8.41 3.96 0.00 1.82 1.74 1.08 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.34 3.79 0.00 2.50 2.93 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 0.00 0.00 0.00 31 Q 8.51 4.15 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 32 H 7.32 4.41 0.00 3.27 2.68 0.00 5.82 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 33 F 7.83 4.04 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.39 3.65 0.14 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 0.00 0.00 35 P 0.00 4.16 0.00 2.04 2.03 0.00 3.44 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 36 K 7.23 4.00 0.00 1.89 1.83 0.00 1.24 0.00 0.00 1.43 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.25 7.81 37 V 8.14 3.63 2.18 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 1.01 0.00 0.00 0.93 0.00 0.00 38 K 7.82 4.00 0.00 1.78 1.97 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 39 G 7.96 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.56 4.39 0.00 3.31 3.34 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 41 L 7.97 3.87 0.00 2.01 1.71 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 K 8.12 3.95 0.00 1.48 0.74 0.00 1.47 0.00 0.00 1.18 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.25 7.81 44 S 7.40 3.93 0.00 4.01 3.93 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 0.00 0.00 0.00 45 G 7.52 4.03 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 0.00 0.00 0.00 46 S 7.49 4.61 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.14 3.92 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 1.15 0.00 0.00 0.92 0.00 0.00 48 A 8.49 3.85 1.31 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 0.00 0.00 49 S 8.31 4.13 0.00 4.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.07 4.10 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 51 A 8.14 4.12 1.40 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 0.00 0.00 52 E 8.49 3.59 0.00 2.04 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 2.35 2.38 0.00 53 E 8.05 3.90 0.00 2.15 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 2.32 2.38 0.00 54 C 8.08 4.11 0.00 3.19 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 55 A 8.53 3.94 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 56 Q 8.04 4.37 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.66 2.79 0.00 57 D 7.98 4.56 0.00 3.08 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 3.37 2.22 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 0.81 0.00 0.00 0.97 0.00 0.00 *60 A 7.99 4.42 1.43 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 61 T 7.97 4.04 4.34 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 1.15 0.00 0.00 62 V 7.85 3.61 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 1.18 0.00 0.00 0.85 0.00 0.00 63 W 8.44 4.30 0.00 3.24 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.29 4.21 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.07 0.00 0.00 0.00 0.00 0.00 2.58 2.80 0.00 65 K 8.65 4.50 0.00 2.05 2.00 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 A 7.71 4.14 1.29 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 0.00 0.00 67 H 7.99 4.30 0.00 3.09 3.31 0.00 5.53 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 68 L 7.93 4.22 0.00 1.99 1.97 1.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 69 F 7.37 3.27 0.00 1.51 2.53 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 70 D 7.35 4.37 0.00 2.68 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 0.00 0.00 0.00 0.00 71 P 0.00 4.37 0.00 2.17 2.18 0.00 3.01 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 72 S 8.49 4.59 0.00 3.94 3.93 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 0.00 0.00 0.00 73 R 7.69 4.48 0.00 1.74 1.98 0.00 3.21 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 74 A 7.22 4.47 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 75 S 8.27 4.90 0.00 4.21 4.12 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 76 V 8.41 3.49 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.69 1.86 0.00 2.99 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 94 K 8.70 4.13 0.00 1.88 1.97 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.41 7.81 95 D 7.45 4.86 0.00 2.67 2.53 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 96 R 7.61 4.79 0.00 1.57 1.61 0.00 3.34 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.19 0.00 97 Q 8.03 4.01 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 98 P 0.00 4.34 0.00 2.08 1.98 0.00 3.66 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 2.02 2.07 0.00 99 E 8.38 4.78 0.00 2.03 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 0.00 2.15 2.26 0.00 100 P 0.00 4.41 0.00 2.20 2.10 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 101 E 8.65 3.76 0.00 1.92 1.90 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 136 A 8.10 4.37 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 0.00 137 Q 7.93 4.03 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 138 R 8.04 3.98 0.00 1.89 1.95 0.00 3.19 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.72 0.00 139 A 7.97 4.26 1.40 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 0.00 0.00 140 L 7.69 3.95 0.00 1.62 1.70 0.92 1.22 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 0.00 141 I 7.66 4.03 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.32 0.96 0.00 0.00 142 E 8.01 3.69 0.00 2.17 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 2.48 2.70 0.00 143 R 8.69 4.02 0.00 2.07 1.97 0.00 3.11 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 144 A 7.49 3.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 7.45 4.29 0.00 2.45 2.86 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 0.00 146 F 7.80 5.24 0.00 3.04 2.89 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 0.00 0.00 0.00 147 G 9.12 4.13 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 0.00 0.00 0.00 148 D 8.01 3.98 0.00 2.79 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 0.00 0.00 0.00 *159 G 8.56 3.76 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 0.00 0.00 0.00 160 L 7.79 4.89 0.00 1.69 1.54 0.94 0.98 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 0.00 161 P 0.00 4.58 0.00 2.26 2.26 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 162 L 8.12 4.11 0.00 1.74 1.81 0.96 0.78 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 0.00 163 G 8.19 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 0.00 164 T 7.77 3.87 4.33 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 1.22 0.00 0.00 165 I 7.69 3.69 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.93 0.00 0.00 166 K 8.76 3.86 0.00 1.88 2.07 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 167 S 8.26 4.09 0.00 4.01 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 0.00 168 R 7.90 3.90 0.00 2.01 1.97 0.00 3.34 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 169 I 7.72 3.79 2.02 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 1.54 0.85 0.93 0.00 0.00 170 R 8.07 3.86 0.00 2.04 2.15 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 171 L 8.09 3.91 0.00 1.96 1.84 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 172 A 9.01 4.08 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 0.00 173 L 8.35 3.93 0.00 1.90 1.72 0.92 0.96 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 0.00 174 D 7.93 4.42 0.00 2.74 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 0.00 175 R 7.67 4.07 0.00 2.17 2.17 0.00 3.44 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 176 L 7.81 3.00 0.00 1.62 1.57 0.68 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 177 R 7.47 3.70 0.00 2.02 1.90 0.00 3.30 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 178 Q 7.93 4.09 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 179 H 7.53 4.26 0.00 3.23 3.10 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.