NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.1595 8.2544 120.8577 56.1363 31.0847 174.2465 6 Q 4.1389 8.4912 126.8514 54.3637 29.6514 172.5239 7 I 4.5536 9.0431 128.0602 60.2812 39.4180 174.8807 8 L 4.7665 9.0052 124.6127 54.8785 44.4370 176.1639 9 A 5.2579 7.8567 118.8476 50.1598 23.1994 174.5546 10 A 5.0331 9.0943 122.2887 50.1165 21.9575 175.3961 11 I 4.9683 8.7170 123.8223 59.6346 40.0205 174.8329 12 F 4.9217 9.6455 126.6049 56.3354 41.5567 176.3901 13 D 5.2290 8.7560 122.3891 53.3470 43.6250 173.8977 *15 D 4.6698 7.9968 116.6439 55.8838 41.5487 176.0853 16 G 4.0938 9.3405 112.5357 46.4591 0.0000 172.5378 17 L 4.5924 7.7978 117.9470 56.5730 44.2789 177.1378 18 L 4.4494 7.5509 117.1848 56.3747 42.9471 176.6832 19 I 4.8322 7.5932 110.5332 58.6433 41.0714 175.0338 20 D 4.8170 8.8822 126.1161 53.3645 38.1521 176.6178 21 S 4.6673 7.9953 115.3464 58.9223 64.5029 176.0201 22 E 4.1753 8.3074 122.7452 59.3720 29.3052 177.2396 23 P 4.3954 0.0000 0.0000 65.2830 31.3559 178.6811 24 L 4.0450 7.8021 117.6731 57.3940 41.6561 179.1481 25 W 4.1496 8.7780 119.3757 59.7400 28.9024 178.3064 26 D 4.4645 8.3427 118.9715 57.3915 40.2248 178.7831 27 R 3.8593 8.0224 118.8309 59.3087 30.1111 178.3222 28 A 3.9165 8.1360 120.5902 55.2076 18.1636 179.4047 29 E 3.8667 8.2401 115.8917 59.4082 29.6598 178.9603 30 L 3.9380 7.9807 119.2054 58.3388 42.4803 178.4071 31 D 4.4819 8.1886 118.7951 57.3011 40.5683 179.5734 32 V 3.3784 7.4697 115.2841 63.5045 31.2207 177.2877 *34 A 4.1493 7.9625 122.0228 51.5990 20.1909 180.0524 35 S 4.0731 7.6843 109.0821 61.1122 62.9987 175.3077 36 L 4.0035 7.2354 118.9147 55.1054 41.5222 177.6658 37 G 3.9019 7.9619 107.5158 44.8791 0.0000 173.9536 38 V 3.5873 7.1947 119.6689 62.4292 32.0160 175.1421 39 D 4.5377 9.1712 127.2425 53.9379 40.4587 176.6484 40 I 4.0146 8.3028 129.4215 63.9920 37.4857 178.7691 41 S 4.2691 7.7963 113.7513 61.2222 62.9083 174.8874 42 R 4.6341 7.8045 118.5960 56.4386 30.1559 178.6057 43 R 3.8784 8.2725 122.4216 59.2437 30.2018 178.2731 44 N 4.4572 8.1156 113.9783 55.1594 37.2893 175.6953 45 E 4.0547 7.7463 117.3996 58.1237 29.8378 177.0723 46 L 4.1949 7.2324 118.8859 52.7302 42.5817 174.7302 47 P 4.4641 0.0000 0.0000 61.7364 32.2839 175.4328 48 D 4.3507 8.4977 118.4307 55.0351 41.4473 175.6665 49 T 4.4896 8.3432 114.4203 60.9437 69.4392 173.1657 50 L 4.1611 7.7882 125.0949 56.9447 42.1516 177.4058 51 G 3.9805 8.9452 114.5028 45.2425 0.0000 173.2437 52 L 4.2435 7.4643 119.6333 53.6755 42.4511 176.9987 53 R 3.8972 8.2382 122.1011 56.0986 30.8817 176.4569 54 I 3.7550 8.1229 123.2023 64.2761 38.2901 178.1327 55 D 4.7698 7.8393 119.8964 54.3504 40.3104 178.4213 *57 V 4.0387 7.9924 120.2791 63.0543 33.5135 177.4329 58 V 4.0330 8.1794 118.9635 66.2741 31.2753 177.7238 59 D 4.4915 8.5983 118.9301 57.2192 40.4889 178.7777 60 L 3.9630 7.8917 118.9656 57.7314 41.7885 179.2164 61 W 4.3763 8.3754 118.8347 60.3207 28.8653 178.0352 62 Y 4.0727 8.4886 117.9162 60.3067 38.2113 177.3447 63 A 4.1280 8.0358 121.3514 54.6741 18.5296 179.4334 64 R 4.2868 7.6839 115.9903 57.9277 31.6624 177.4781 65 Q 4.5224 8.4055 117.2107 52.7765 29.7743 172.8351 66 P 3.3691 0.0000 0.0000 62.0019 32.2062 175.5047 67 W 5.2082 7.1525 115.9567 55.0249 31.2959 173.9932 68 N 4.9501 8.9251 116.7333 52.5501 41.3152 177.1329 69 G 4.1288 8.4516 110.6024 44.5085 0.0000 175.5956 70 P 4.6041 0.0000 0.0000 62.2573 31.6981 176.5913 71 S 4.4751 9.3597 116.9352 57.9758 65.0795 175.6664 72 R 4.1778 8.2371 120.5344 59.6284 29.7169 179.1286 73 Q 3.9955 8.0158 118.8088 59.1572 29.2573 177.8857 74 E 4.0394 8.2819 119.7984 59.1967 29.4328 179.5171 75 V 3.5702 8.0918 118.4686 65.8052 31.6388 177.9704 76 V 3.6776 8.1487 118.4225 66.3942 31.3213 177.7829 77 E 4.0138 8.2406 117.9520 59.5431 29.3774 179.4937 78 R 3.9007 7.8348 118.2777 59.2324 30.0618 178.7563 79 V 3.5775 8.0187 118.2025 65.8850 31.5062 177.9571 80 I 3.6572 8.0124 119.3483 64.4935 37.0362 178.1683 81 A 3.9272 7.9274 121.4023 55.2047 18.1914 179.7016 82 R 3.7032 7.8689 116.7543 59.3975 30.1205 178.5613 83 A 3.5917 7.9149 120.9300 54.9403 18.0719 179.6296 84 I 3.4625 7.5419 118.3233 64.6732 37.3176 178.8111 85 S 4.2131 7.8740 115.8730 61.6419 62.6695 176.8642 86 L 3.9593 7.8378 121.7002 57.5004 41.2892 179.7719 87 V 3.5254 7.7436 118.3167 66.1172 31.3249 177.8226 88 E 3.9010 7.9699 117.0090 59.5422 29.3380 178.8117 89 E 4.0544 7.9524 118.2727 58.7111 29.8217 178.0084 90 T 4.2804 7.8146 107.5562 60.5629 71.1304 174.7049 91 R 3.8748 8.1482 120.3236 56.8983 28.6442 175.6261 92 P 4.7061 0.0000 0.0000 61.7418 30.3499 177.5125 93 L 4.0485 7.4432 122.3928 55.5775 42.7208 177.3684 94 L 4.3862 8.5900 126.2701 53.3408 43.2991 174.8870 95 P 4.2088 0.0000 0.0000 64.2277 31.9348 177.3477 96 G 3.9804 8.8769 109.9497 44.9454 0.0000 175.4942 97 V 3.5015 7.4749 118.6362 66.0225 31.5350 177.7043 98 R 3.8583 7.8986 117.8638 59.6770 29.9553 178.1517 99 E 3.9891 8.1373 117.5353 59.2098 29.4847 179.0794 100 A 4.1623 8.0932 120.9995 55.0804 18.5986 179.9064 101 V 3.4576 7.9074 116.5862 65.9805 31.5291 178.0088 102 A 3.9744 7.9295 120.5767 55.1923 18.1840 179.2676 103 L 3.9101 8.1604 118.8567 58.4539 42.1102 178.9298 104 C 4.1174 8.1305 116.6180 62.8969 28.1489 176.3332 105 K 3.9650 7.8911 119.4415 59.4359 31.4127 178.9026 106 E 3.9864 8.3317 118.8921 59.1217 29.5201 177.9558 107 Q 4.4819 8.0497 115.4327 55.3697 28.9020 176.2212 108 G 3.8735 7.9646 107.7807 45.8162 0.0000 173.4234 109 L 4.9231 7.5743 118.3176 52.5740 43.6487 176.8164 110 L 4.4204 8.5158 122.0206 54.8239 43.4806 176.1691 111 V 4.7937 9.0636 120.7993 61.2622 34.3988 174.8340 112 G 4.7136 9.4758 114.8223 44.3791 0.0000 171.2503 113 L 5.6570 9.0208 121.2564 53.0712 45.5095 175.0976 114 A 5.0317 8.9563 126.9848 50.3594 21.9457 174.6805 115 S 4.7016 8.8877 116.1069 56.9341 65.9488 175.0721 116 A 4.1549 8.6683 127.3759 54.5951 18.5965 178.6286 117 S 4.4214 7.7038 111.6082 57.4367 63.5236 172.5672 118 P 4.4698 0.0000 0.0000 62.4952 31.8954 176.5174 119 L 4.0709 8.7050 123.5502 58.6222 42.2654 179.4444 120 H 4.5160 8.0525 111.8977 55.9023 28.1089 177.0706 *122 L 4.2024 8.1174 121.2058 55.8060 43.6092 179.1008 123 E 3.9264 8.2314 117.9750 59.1641 29.0450 179.4700 124 K 3.8699 7.7863 118.5895 59.5604 32.4387 178.7525 125 V 3.7107 7.6303 116.5529 65.9683 31.7696 177.5253 126 L 4.2067 7.8545 118.6855 57.8149 41.7058 180.9608 127 T 4.2907 7.8684 116.5180 63.2033 68.0721 175.6171 *129 F 4.6950 7.8476 116.5895 56.4042 40.6226 174.8273 130 D 4.4443 7.6541 118.1182 55.7059 38.9681 174.8300 131 L 4.7126 8.2222 117.0174 54.7223 42.6432 177.7776 132 R 3.9999 7.9904 119.9513 59.4295 29.8397 177.8101 133 D 4.4414 8.0949 117.6784 56.4625 39.5178 178.2145 134 S 4.3681 8.0079 114.8953 59.1269 62.9772 174.0320 135 F 4.5773 7.5666 121.2000 56.2797 39.4038 175.6080 136 D 4.7398 9.2303 126.6153 56.6401 41.5468 176.6518 137 A 4.8130 7.9716 118.3088 50.5896 22.7411 175.0317 138 L 5.3714 8.5945 119.2195 52.9127 45.3892 176.1133 139 A 4.6105 9.1591 124.1304 50.4619 22.2499 174.8046 140 S 5.1521 8.7790 117.3174 56.7208 64.4912 173.7236 141 A 4.3901 8.9757 128.4439 52.2338 18.9628 178.8198 142 E 3.9028 8.2236 118.5607 59.6095 29.5653 178.6198 143 K 4.1786 7.8757 114.5548 57.7200 32.5198 177.3587 144 L 4.3632 7.3794 119.0213 53.1123 42.4830 175.2829 145 P 4.1484 0.0000 0.0000 65.2148 31.3949 176.5650 146 Y 4.6220 7.4632 114.7144 55.8127 41.2633 175.1642 147 S 4.6051 8.4080 118.7718 56.1352 64.4857 172.6337 148 K 4.4783 8.7946 119.5843 55.9757 32.0109 175.1267 149 P 4.7833 0.0000 0.0000 63.1797 31.8657 175.3350 150 H 4.3416 8.3083 120.9610 55.9093 30.3351 173.9361 151 P 4.8925 0.0000 0.0000 63.7833 31.4605 177.9090 152 Q 4.0624 8.4288 120.8495 59.6623 29.0069 178.3416 153 V 3.6782 7.8732 119.5087 65.2208 31.2566 177.8232 154 Y 4.1329 7.9276 116.7858 60.7158 37.8259 178.0584 155 L 4.0876 8.2965 120.0438 57.8615 41.7248 179.2151 156 D 4.3883 8.6674 119.2844 57.4965 40.6856 178.4497 157 C 4.1195 8.2801 118.8412 62.5242 31.6101 175.4204 158 A 4.0151 8.2898 122.1547 55.1898 17.6933 179.5222 159 A 3.9879 7.8874 118.4806 55.2843 18.5568 179.7988 160 K 4.1243 8.0882 116.1081 59.4266 32.1644 179.3654 161 L 4.2402 8.1125 119.1186 55.5611 41.5227 177.8992 162 G 3.9084 8.1612 105.9489 46.0265 0.0000 173.3040 163 V 4.5282 7.3803 110.3980 58.4725 35.4757 175.1409 164 D 4.4647 8.4632 121.6522 53.4663 41.8926 175.3116 165 P 4.2683 0.0000 0.0000 66.0172 31.1549 178.3101 166 L 4.1206 8.4642 118.4938 57.4390 41.7494 177.8410 167 T 4.6004 7.9929 107.2466 61.0030 68.9786 173.4721 168 C 5.3372 7.9332 119.8551 58.3366 30.5872 173.4500 169 V 4.5549 8.5409 121.6281 59.9004 33.5472 174.1100 170 A 5.0903 8.9331 127.8159 50.1087 21.3236 175.1710 171 L 5.0225 8.6333 123.1121 53.2321 43.7798 175.7206 172 E 5.2299 9.2639 123.0554 54.7533 33.7553 175.8223 173 D 5.3973 9.2137 119.2626 52.5149 41.2560 175.7615 174 S 4.9612 8.0066 112.7701 56.2629 66.3224 174.1712 175 V 3.5622 8.4860 121.3553 66.1961 31.8206 177.1666 176 N 4.4734 8.3823 116.9635 56.4669 38.7219 178.0292 177 G 4.2790 8.0776 104.2932 45.7067 0.0000 175.3038 *179 I 3.9997 7.9312 122.4865 60.9271 39.2550 177.9081 180 A 4.4931 8.3021 123.3690 54.7508 17.9314 179.8966 181 S 3.4541 7.6863 111.4799 61.2867 63.3008 176.5649 182 K 4.0497 7.8898 121.3498 58.8530 31.7285 178.9637 183 A 4.0243 8.4379 120.3032 54.2311 18.3564 178.4822 184 A 4.3294 7.4497 117.0097 51.0853 20.2099 175.9848 185 R 3.5319 7.4426 118.6435 55.9728 27.2443 175.1229 *187 R 4.2350 7.5591 120.2386 55.9334 32.3786 173.4536 188 S 5.0587 9.1399 118.6180 56.5484 65.7586 172.4360 189 I 4.9987 8.7369 127.8404 59.5700 39.9251 174.9212 190 V 4.7271 8.6734 119.8590 59.5949 34.8821 175.0757 191 V 4.9014 8.5199 124.1904 58.5619 31.5477 171.8294 192 P 4.3693 0.0000 0.0000 61.8109 32.1057 176.0634 193 A 4.1633 8.8899 126.6741 51.6857 19.0989 176.6568 194 P 4.2476 0.0000 0.0000 65.9871 31.4019 177.9990 195 E 4.1459 8.2578 114.4792 58.1447 29.6341 177.0638 196 A 4.8186 8.3572 120.8816 51.7040 20.4160 177.5162 197 Q 4.0104 8.5806 118.0267 60.2021 28.6323 178.9316 198 N 4.9236 7.9311 111.7004 52.9073 39.2960 174.4923 199 D 4.4402 8.2755 120.0097 53.4296 41.6517 175.3896 200 P 4.4014 0.0000 0.0000 65.7028 31.4217 178.4088 201 R 4.0104 8.1435 117.7207 58.3424 29.9474 178.1806 202 F 4.6092 7.8286 117.3548 59.1579 38.6056 177.2562 203 V 3.7499 7.5380 118.4381 64.4524 30.9837 177.7166 204 L 4.0376 7.7009 120.0299 56.9381 42.2579 177.2309 205 A 4.2068 7.3302 120.7187 52.2367 18.9563 177.0807 206 N 4.6069 8.6480 118.4888 55.6169 39.4231 176.2350 207 V 4.4643 7.6518 117.2805 60.7721 35.4204 174.0315 208 K 4.8537 8.7265 128.0156 54.6185 34.1933 174.8223 209 L 4.9050 8.9179 127.6709 52.9471 44.2529 177.9879 210 S 4.2106 8.8695 116.9678 60.6602 63.8432 174.2863 211 S 4.5796 7.4102 113.4161 56.6388 65.0835 174.4640 212 L 4.1615 8.4955 126.5543 57.5543 42.1812 179.1378 213 T 3.9329 7.6044 107.9447 64.6548 68.5907 174.9866 214 E 4.1940 7.8534 119.4927 56.6863 29.8793 176.6725 215 L 4.1579 7.6362 122.5814 55.2726 42.7304 176.5323 216 T 4.7234 8.5071 115.2702 59.2220 73.0072 175.0079 217 A 3.9970 8.3839 122.7892 55.2086 18.3632 179.8636 218 K 3.8756 7.9984 117.7011 59.6293 32.0683 178.6450 219 D 4.3352 7.6886 118.1530 57.1828 40.7963 178.5276 220 L 4.0619 7.5005 117.8370 57.8422 41.8461 179.1282 221 L 4.2640 8.0146 116.7126 54.8479 41.9541 177.1940 222 G 4.0533 8.0939 112.2768 45.7247 0.0000 173.1307 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 R 8.25 4.16 0.00 1.77 1.90 0.00 3.17 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 6 Q 8.49 4.14 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 7 I 9.04 4.55 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.14 0.93 0.00 0.00 8 L 9.01 4.77 0.00 1.54 1.67 0.92 0.44 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 9 A 7.86 5.26 1.20 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 0.00 0.00 10 A 9.09 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.72 4.97 2.10 0.00 0.00 1.04 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 0.82 1.18 0.00 0.00 12 F 9.65 4.92 0.00 3.25 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 13 D 8.76 5.23 0.00 3.13 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 *15 D 8.00 4.67 0.00 2.76 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 16 G 9.34 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.80 4.59 0.00 1.78 1.88 1.24 1.06 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 18 L 7.55 4.45 0.00 1.68 1.61 0.85 0.52 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 19 I 7.59 4.83 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.30 0.94 0.00 0.00 20 D 8.88 4.82 0.00 2.65 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 21 S 8.00 4.67 0.00 4.28 4.21 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 22 E 8.31 4.18 0.00 2.09 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 2.49 2.42 0.00 23 P 0.00 4.40 0.00 2.19 2.14 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 24 L 7.80 4.04 0.00 1.72 1.58 0.90 0.98 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 25 W 8.78 4.15 0.00 3.50 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 26 D 8.34 4.46 0.00 2.98 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 27 R 8.02 3.86 0.00 2.04 2.09 0.00 3.24 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 1.60 1.66 0.00 28 A 8.14 3.92 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 29 E 8.24 3.87 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 2.50 2.66 0.00 30 L 7.98 3.94 0.00 1.63 1.94 0.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.19 4.48 0.00 2.68 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 32 V 7.47 3.38 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 0.81 0.00 0.00 0.91 0.00 0.00 *34 A 7.96 4.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.68 4.07 0.00 3.93 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.24 4.00 0.00 1.20 1.41 -0.36 0.70 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 0.00 0.00 0.00 0.00 0.00 113 L 9.02 5.66 0.00 1.74 1.48 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.96 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.89 4.70 0.00 3.85 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.67 4.15 1.20 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 0.00 0.00 117 S 7.70 4.42 0.00 3.97 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 0.00 118 P 0.00 4.47 0.00 1.76 2.29 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 119 L 8.70 4.07 0.00 1.72 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.05 4.52 0.00 3.33 3.50 0.00 5.54 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *122 L 8.12 4.20 0.00 1.97 1.73 1.02 0.93 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 0.00 123 E 8.23 3.93 0.00 2.16 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 2.44 2.47 0.00 124 K 7.79 3.87 0.00 1.87 1.80 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.39 7.81 125 V 7.63 3.71 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 1.15 0.00 0.00 0.97 0.00 0.00 126 L 7.85 4.21 0.00 1.66 1.68 0.39 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.87 4.29 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 1.18 0.00 0.00 *129 F 7.85 4.69 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.65 4.44 0.00 2.87 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 0.00 131 L 8.22 4.71 0.00 1.83 1.89 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.99 4.00 0.00 1.93 1.96 0.00 3.24 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 133 D 8.09 4.44 0.00 2.90 2.83 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 0.00 134 S 8.01 4.37 0.00 4.07 3.82 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 0.00 135 F 7.57 4.58 0.00 2.98 3.07 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 0.00 136 D 9.23 4.74 0.00 2.63 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 0.00 137 A 7.97 4.81 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 0.00 138 L 8.59 5.37 0.00 1.51 1.54 0.93 0.67 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 0.00 139 A 9.16 4.61 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 0.00 140 S 8.78 5.15 0.00 3.90 3.74 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 0.00 141 A 8.98 4.39 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 0.00 142 E 8.22 3.90 0.00 1.96 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 2.34 2.31 0.00 143 K 7.88 4.18 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.46 7.81 144 L 7.38 4.36 0.00 1.72 1.57 0.98 0.84 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 0.00 145 P 0.00 4.15 0.00 1.79 2.01 0.00 3.67 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 2.01 1.98 0.00 146 Y 7.46 4.62 0.00 2.71 2.83 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 0.00 147 S 8.41 4.61 0.00 3.84 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 0.00 148 K 8.79 4.48 0.00 1.81 2.01 0.00 1.89 0.00 0.00 2.61 0.00 0.00 2.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.43 7.81 149 P 0.00 4.78 0.00 2.22 2.34 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 150 H 8.31 4.34 0.00 3.26 3.38 0.00 5.58 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.89 0.00 2.36 2.49 0.00 3.41 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 2.03 1.96 0.00 152 Q 8.43 4.06 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 153 V 7.87 3.68 2.03 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 0.63 0.00 0.00 0.81 0.00 0.00 154 Y 7.93 4.13 0.00 3.31 3.01 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 0.00 155 L 8.30 4.09 0.00 1.90 1.77 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.67 4.39 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 0.00 157 C 8.28 4.12 0.00 3.14 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 0.00 158 A 8.29 4.02 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 0.00 159 A 7.89 3.99 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 0.00 160 K 8.09 4.12 0.00 1.93 1.92 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.68 7.81 161 L 8.11 4.24 0.00 1.85 1.76 0.98 1.32 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 0.00 162 G 8.16 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 0.00 163 V 7.38 4.53 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 0.76 0.00 0.00 0.95 0.00 0.00 164 D 8.46 4.46 0.00 2.68 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 0.00 165 P 0.00 4.27 0.00 2.44 2.35 0.00 3.77 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 2.09 2.03 0.00 166 L 8.46 4.12 0.00 1.73 1.77 0.91 0.88 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 0.00 167 T 7.99 4.60 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 1.21 0.00 0.00 168 C 7.93 5.34 0.00 2.95 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 0.00 169 V 8.54 4.55 2.02 0.00 0.00 0.00 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 0.84 0.00 0.00 170 A 8.93 5.09 0.94 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 0.00 0.00 171 L 8.63 5.02 0.00 1.36 1.51 0.12 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 172 E 9.26 5.23 0.00 1.89 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 2.39 2.57 0.00 173 D 9.21 5.40 0.00 2.83 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 0.00 174 S 8.01 4.96 0.00 4.02 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 0.00 175 V 8.49 3.56 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 0.65 0.00 0.00 0.12 0.00 0.00 176 N 8.38 4.47 0.00 2.80 2.87 0.00 0.00 7.00 7.63 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 0.00 177 G 8.08 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 0.00 0.00 0.00 0.00 *179 I 7.93 4.00 2.01 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 1.31 0.63 0.89 0.00 0.00 180 A 8.30 4.49 1.70 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 0.00 0.00 0.00 0.00 0.00 0.00 181 S 7.69 3.45 0.00 3.46 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 0.00 182 K 7.89 4.05 0.00 1.86 1.85 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.47 1.41 7.81 183 A 8.44 4.02 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 0.00 184 A 7.45 4.33 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 185 R 7.44 3.53 0.00 1.98 2.00 0.00 3.18 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 *187 R 7.56 4.24 0.00 1.87 1.88 0.00 3.08 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 188 S 9.14 5.06 0.00 3.81 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 8.74 5.00 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.49 0.86 0.00 0.00 190 V 8.67 4.73 1.69 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 0.78 0.00 0.00 0.73 0.00 0.00 191 V 8.52 4.90 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 1.30 0.00 0.00 0.91 0.00 0.00 192 P 0.00 4.37 0.00 1.79 1.55 0.00 3.62 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.00 193 A 8.89 4.16 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 0.00 194 P 0.00 4.25 0.00 2.08 2.17 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 195 E 8.26 4.15 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 196 A 8.36 4.82 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 0.00 197 Q 8.58 4.01 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 7.47 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 198 N 7.93 4.92 0.00 2.74 2.85 0.00 0.00 6.84 8.06 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 0.00 199 D 8.28 4.44 0.00 2.85 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 4.40 0.00 2.29 2.30 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 201 R 8.14 4.01 0.00 1.71 1.85 0.00 3.02 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 202 F 7.83 4.61 0.00 3.10 2.99 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 0.00 203 V 7.54 3.75 2.19 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 0.76 0.00 0.00 0.94 0.00 0.00 204 L 7.70 4.04 0.00 1.67 1.84 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 205 A 7.33 4.21 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 0.00 206 N 8.65 4.61 0.00 2.73 2.87 0.00 0.00 6.63 7.12 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 0.00 207 V 7.65 4.46 2.04 0.00 0.00 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 0.96 0.00 0.00 208 K 8.73 4.85 0.00 1.72 1.61 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.25 7.81 209 L 8.92 4.90 0.00 1.51 1.64 0.90 0.62 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 0.00 210 S 8.87 4.21 0.00 3.98 3.97 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 0.00 211 S 7.41 4.58 0.00 3.82 3.67 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 0.00 212 L 8.50 4.16 0.00 1.79 1.82 1.01 0.83 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 0.00 213 T 7.60 3.93 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 1.23 0.00 0.00 214 E 7.85 4.19 0.00 2.15 2.02 0.00 0.00 0.00 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 2.23 0.00 215 L 7.64 4.16 0.00 1.69 1.68 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 216 T 8.51 4.72 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 1.27 0.00 0.00 217 A 8.38 4.00 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 0.00 218 K 8.00 3.88 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.52 7.81 219 D 7.69 4.34 0.00 2.88 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 0.00 220 L 7.50 4.06 0.00 1.76 1.69 0.92 1.19 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 0.00 221 L 8.01 4.26 0.00 1.59 1.70 0.99 0.91 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 0.00 222 G 8.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.