NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 5.1113 8.3493 120.4989 54.4158 42.6234 174.4241 6 V 4.2646 8.5927 120.9697 59.8690 35.3548 172.4309 7 H 4.9356 9.1829 121.2792 54.1516 31.3868 174.8117 8 V 4.4299 8.2199 124.7969 60.6375 33.2240 174.8514 9 L 4.4628 8.6712 129.1994 55.6073 42.0843 176.8985 10 F 4.9583 9.3103 126.6392 56.6033 41.4541 174.6398 11 S 4.4037 8.4946 120.1651 57.9807 63.8524 175.2616 12 G 3.4025 6.0417 109.2437 45.2514 0.0000 174.2459 13 G 3.7278 7.2716 106.8172 43.6451 0.0000 174.7482 14 K 3.7886 8.3046 119.4884 60.0636 32.5711 179.0258 15 D 4.3358 7.9686 119.8760 57.0343 41.0008 178.4020 16 S 4.0760 7.9760 113.0884 61.4160 62.2390 176.2821 17 S 4.3876 8.2905 118.0367 61.6396 62.6136 176.2807 18 L 3.9392 8.0947 121.6485 58.1144 41.5342 179.4121 19 S 3.9390 8.0878 112.3906 61.4811 62.3245 176.0684 20 A 3.7931 7.8062 122.6736 55.2251 18.0629 179.8222 21 V 3.7274 8.2635 117.0551 66.0793 31.6761 178.1311 22 I 3.5895 8.0922 119.8826 64.5486 36.9972 178.1892 23 L 4.0933 7.6286 119.0928 57.7592 41.3911 179.7221 24 K 4.2059 7.7506 120.3741 59.1414 32.0975 179.1376 25 K 4.0847 8.2715 117.3538 58.9566 32.0044 178.4222 26 L 4.3676 7.4983 117.3096 54.4617 41.9991 177.2336 27 G 3.9803 7.6364 105.9557 45.1227 0.0000 173.7253 28 Y 4.3509 8.1029 118.3007 57.5344 39.8286 174.5045 29 N 4.8120 8.8127 121.7391 51.9423 40.1706 172.1184 30 P 4.7992 0.0000 0.0000 61.9325 32.5409 175.5086 31 H 4.4681 9.0645 124.2828 54.0364 29.6210 174.8127 32 L 4.4582 8.6422 125.4622 54.5167 42.7726 176.4740 33 I 4.8735 8.7853 124.3375 59.7139 40.6842 174.4966 34 T 4.9739 8.5564 123.1053 61.8168 71.3387 173.3255 35 I 4.5809 8.4394 126.8107 60.4633 38.7251 174.7179 36 N 5.2301 9.1722 124.5307 52.0135 42.1070 174.5845 37 F 5.0596 9.0356 121.9162 56.4379 39.7227 176.9610 38 G 3.9844 8.7369 109.4192 45.5090 0.0000 175.2366 39 V 3.7978 7.9482 119.6833 64.5020 31.9312 175.8270 40 I 4.7018 7.3503 111.7057 58.3605 41.0192 173.9921 41 P 4.5821 0.0000 0.0000 61.7301 29.7373 175.5281 42 S 4.5090 7.8416 115.1576 59.4214 63.7237 175.6103 43 Y 4.7270 7.0930 117.9877 57.7417 38.0681 177.0283 44 K 3.9030 7.4345 121.9708 59.5487 32.2316 178.5408 45 L 3.8917 7.8790 119.9395 58.3194 42.0465 178.8734 46 A 4.1585 7.8761 120.5961 55.1134 18.4190 179.4319 47 E 3.7810 8.1011 117.2913 59.4120 29.4789 179.4467 48 E 3.9224 7.9424 118.2146 59.8557 29.6322 179.4163 49 T 3.9088 8.0060 112.5780 64.8100 67.3336 176.0806 50 A 3.8932 8.1846 123.1757 54.9600 18.1122 179.7204 51 K 3.9049 7.7149 115.7422 59.5290 32.1645 179.3409 52 I 3.8218 7.3781 119.1377 64.4846 37.1492 178.3287 53 L 4.0032 8.3284 118.8870 55.3941 41.4832 177.5400 54 G 3.6057 7.8699 106.0310 46.6078 0.0000 173.1244 55 F 5.1429 7.5944 116.2793 54.6332 41.7895 175.9326 56 K 4.1470 8.4497 122.5851 57.4460 33.0643 175.3687 57 H 5.2879 8.5743 122.1799 54.6299 33.2049 172.4001 58 K 4.8016 8.8288 123.8792 54.4885 36.4578 175.2459 59 V 4.7549 8.2279 122.1726 60.1150 33.5574 174.8999 60 I 4.4177 8.4088 124.9377 59.8047 39.6869 174.4986 61 T 5.3578 8.2942 123.4801 61.6286 70.0053 174.0999 62 L 4.8249 7.8906 124.5524 52.1543 46.4144 175.4114 63 D 4.6084 8.6514 119.8136 54.6116 41.7272 177.2814 64 R 4.1220 8.9677 125.9141 59.6337 29.9008 178.3250 65 K 4.1865 9.1578 117.8453 58.5208 31.9586 179.2585 66 I 3.8508 7.7809 120.9239 64.5684 37.1099 178.5740 67 V 3.5791 7.3974 112.0271 63.4031 31.4545 178.4699 68 E 3.9020 7.9285 118.6021 59.2129 29.1160 178.9663 69 K 4.0290 7.9709 119.3846 58.6913 32.2377 178.1722 70 A 4.0381 7.6540 119.7294 55.2077 18.6261 178.9506 71 A 4.1461 8.2958 119.4120 55.5138 18.3339 179.5631 72 D 3.9965 8.2532 114.7907 56.0709 41.3169 178.6162 *74 I 3.9131 7.6858 122.4675 61.3745 39.1585 178.1557 75 I 3.6152 7.5637 120.2785 64.2071 37.2430 177.2042 76 E 4.0076 8.1025 120.1712 59.6719 29.3847 177.8261 77 H 4.2027 8.0399 114.5521 56.4524 29.0444 176.8573 78 K 3.9730 8.2098 117.0513 56.6293 30.2270 174.7058 79 Y 4.7803 7.0297 114.8161 55.3008 40.9112 173.0905 80 P 4.1050 0.0000 0.0000 65.6806 31.7468 178.7776 81 G 3.7383 7.0679 103.2584 46.8538 0.0000 173.8016 82 P 4.1894 0.0000 0.0000 64.6739 31.5839 178.7963 83 A 3.9828 7.8714 119.5410 55.0273 18.2827 179.8605 84 I 3.7578 7.6945 117.8538 64.5774 37.3842 177.8549 85 Q 4.0176 8.0747 120.5359 59.6931 28.7743 178.3466 86 Y 4.0418 8.2155 120.3499 60.6623 38.8456 178.2718 87 V 3.0644 7.7893 118.9840 66.0232 31.5249 177.3038 88 H 4.1068 8.1491 117.8572 59.3641 29.6908 177.2167 89 K 3.8479 7.9672 120.0944 59.7242 31.8595 179.4547 90 T 3.6321 7.4981 115.8197 66.5021 68.2411 176.8412 91 V 3.5171 8.0204 120.3622 65.9942 31.4711 178.0168 92 L 3.9281 8.0177 118.8369 57.6863 41.1943 178.9982 93 E 3.8838 7.9211 117.5275 59.7682 29.8629 179.3752 94 I 3.8057 7.4567 118.7633 64.5301 37.1284 178.6823 95 L 4.0596 8.2347 119.6294 57.3558 41.2647 178.8376 96 A 4.1643 8.0225 119.2303 53.9260 18.3085 178.5732 97 D 4.4051 7.6203 116.7395 56.2571 41.1225 177.7740 98 E 4.0187 7.6412 117.2421 56.3717 30.6439 175.8806 99 Y 4.8471 7.3717 115.7963 56.2099 40.2173 175.7700 100 S 4.6173 8.6582 117.3224 59.0737 65.1313 173.4200 101 I 4.9293 7.7251 121.4960 59.8276 40.6938 173.6354 102 L 5.2818 9.3386 129.7053 53.3714 44.7902 174.9966 103 A 5.5311 8.8735 125.1929 50.6456 23.1963 174.9969 104 D 4.8970 8.1979 117.5425 52.6687 42.2752 175.5307 105 G 4.0366 8.4857 107.8739 45.8416 0.0000 174.0307 106 T 4.0101 7.9563 116.4643 63.7430 68.9743 173.8740 107 R 4.8516 8.1566 122.2535 54.1149 34.4432 176.1457 108 R 3.9865 8.9183 119.7335 59.8616 29.9321 177.9276 109 D 4.9139 8.0130 114.4985 54.2673 41.2502 175.7677 110 D 4.8991 7.6374 119.3169 52.3332 43.4852 176.1126 111 R 4.0937 8.9599 124.9286 58.7947 30.4248 176.8509 112 V 4.5847 7.3778 108.2871 58.6375 35.3047 173.5194 113 P 4.7449 0.0000 0.0000 62.1916 32.3520 175.5437 114 K 4.2410 8.1406 115.6901 55.9921 35.8558 174.4815 115 L 4.4909 8.7720 126.9259 54.1916 42.6491 177.4754 116 S 4.5302 9.3701 117.9361 57.8515 65.1826 174.8612 117 Y 4.4077 8.6492 122.6730 61.2417 38.3648 178.1230 118 S 4.0003 8.2729 115.3156 62.1018 62.9594 176.6145 119 E 3.9820 8.3123 120.6644 59.3150 29.0542 179.7146 120 I 3.6098 7.9687 120.1258 64.4449 37.0365 178.3009 121 Q 3.8834 7.7526 117.4481 58.9774 28.6123 178.5799 122 S 4.1695 7.9931 112.9599 61.5682 62.7099 175.4232 123 L 4.0037 8.1516 123.0155 58.4604 41.6919 179.3716 124 E 3.9599 8.3443 114.5817 57.6522 29.3246 179.0744 *126 R 4.2460 7.8918 119.9619 55.6941 31.9261 176.5221 127 K 4.2651 8.0774 113.8106 55.1610 33.1586 175.3681 128 N 4.1887 7.7870 116.8033 54.8609 37.5394 172.3300 129 I 4.9006 7.2463 109.0281 59.2961 42.0600 175.7505 130 Q 4.5669 8.9339 121.9170 54.9040 30.4479 174.2778 131 Y 5.2180 9.4356 125.7895 55.9777 40.8673 174.6577 132 I 4.3532 8.7362 128.2807 59.6191 40.1024 175.0896 133 T 4.7246 7.9908 116.7655 58.3249 68.2386 172.2375 134 P 4.2937 0.0000 0.0000 66.5825 32.0935 177.5473 135 L 4.1621 7.2513 120.3223 53.7427 39.6765 177.3421 *137 G 3.7564 8.0225 107.0285 44.4624 0.0000 169.8185 138 F 4.6546 8.3407 119.0373 55.0446 40.4547 176.6365 139 G 3.8851 8.6194 112.6298 44.3003 0.0000 172.9805 140 Y 4.2427 9.0120 123.3301 60.9955 38.3188 179.4664 141 K 3.9748 8.2203 118.5661 59.4585 32.2810 179.0496 142 T 4.0859 7.9154 112.9374 64.7420 67.4242 176.4532 143 L 4.0400 8.3593 121.5900 57.6616 41.6460 179.3881 144 R 3.8339 7.7546 118.7561 59.3581 29.9155 178.0889 145 H 4.2826 7.8708 117.5928 59.0713 30.0155 177.2752 146 L 4.1470 8.1875 120.6945 57.6843 41.3734 179.3110 147 A 4.0600 8.1433 121.1379 54.8561 18.1610 179.1391 148 S 4.3812 7.4764 109.5760 59.8402 63.5995 175.6903 149 E 4.0630 7.3874 120.7136 58.5926 29.7512 177.9030 150 F 4.0184 7.8334 116.8964 58.0867 39.3398 175.6027 151 F 5.6996 7.3125 115.0422 55.8224 41.9317 175.3977 152 I 4.4498 8.6571 122.4491 60.0462 38.7483 174.7496 153 L 5.1862 8.6150 126.7260 52.8119 44.6325 175.4608 154 E 4.5038 9.1100 125.3908 54.3854 31.4327 174.1316 155 E 4.2700 8.7736 129.0009 57.3847 30.3926 173.5955 156 I 3.9401 9.1839 127.7859 62.0171 38.7735 176.8719 *163 S 4.2826 8.8656 119.1273 59.4057 64.6418 173.6700 164 S 5.0964 8.1248 116.2087 57.7711 63.1296 174.5517 165 D 4.4472 7.7159 121.2365 53.8461 41.7988 176.3214 166 Y 4.6673 7.9726 116.4674 60.9355 37.8737 177.4866 167 E 3.7216 8.0938 117.2922 58.0047 29.8598 178.7230 168 A 3.8930 7.7555 122.3297 55.2732 18.6464 179.1662 169 E 4.0632 8.1003 116.5327 59.2368 29.7341 179.3439 170 I 3.6895 7.4592 120.1127 64.1524 37.1275 178.5241 171 R 3.9438 7.7880 118.9522 59.6161 29.9530 178.4743 172 H 4.0960 8.1254 117.7961 59.3668 29.7525 177.2078 173 I 3.7338 7.7551 121.3731 64.4767 36.8890 178.3192 174 L 4.0312 7.9462 119.6736 57.6628 41.3564 179.5849 175 K 3.8988 8.1288 118.3150 59.8200 31.8627 179.1520 176 E 3.9541 7.9660 117.0345 59.4994 29.4530 179.3733 177 R 4.1761 8.0375 116.8328 57.0488 30.1514 177.4377 178 G 3.8121 8.2148 106.9598 46.0156 0.0000 173.3217 179 E 4.4096 8.1114 119.3264 54.6148 31.4313 176.0201 180 S 4.5982 8.1124 114.3596 56.1001 63.3090 172.8081 181 P 4.3959 0.0000 0.0000 65.6174 31.3469 178.3149 182 E 3.6010 8.3182 117.4550 59.2671 29.3581 178.0168 183 K 4.0423 7.6725 116.3280 57.7885 32.4881 177.0539 184 Y 4.6207 8.3362 115.6037 58.6756 40.4474 176.2007 185 F 5.0387 7.7399 115.1171 54.9038 39.2627 173.1870 186 P 4.5460 0.0000 0.0000 62.4293 32.3102 176.9220 187 E 4.1552 8.8094 122.3459 57.0387 29.8960 176.2717 188 H 4.9933 8.1115 117.1384 53.5270 31.6400 173.2335 189 K 4.2117 8.5120 119.8306 57.0387 33.2099 175.5574 190 Q 4.7713 8.3612 121.4017 54.6165 33.2354 173.9218 191 T 4.8054 8.2100 116.4508 61.6919 71.5323 173.8726 192 R 4.2841 8.6374 127.9870 55.3409 31.8597 175.3724 193 V 4.2090 8.2214 126.2104 62.4173 32.0201 175.6498 194 V 4.4011 9.2896 120.5371 59.9122 33.1578 175.6102 195 G 3.9347 7.0879 110.4731 45.8244 0.0000 171.4838 196 L 5.1831 8.0754 118.8670 52.7507 43.2844 177.4883 197 K 4.1145 8.9739 124.4358 58.1383 32.2509 176.6155 198 K 4.5689 7.5170 118.0483 54.3446 35.5368 174.5796 199 E 4.4961 8.3537 119.2035 55.0783 31.2074 176.3814 200 I 4.1015 8.1171 119.0385 61.7046 37.3421 176.0682 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 D 8.35 5.11 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.59 4.26 1.76 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 0.62 0.00 0.00 0.70 0.00 0.00 7 H 9.18 4.94 0.00 2.82 2.77 0.00 5.77 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.22 4.43 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.73 0.00 0.00 9 L 8.67 4.46 0.00 1.75 1.73 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 F 9.31 4.96 0.00 3.06 3.04 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 0.00 0.00 0.00 0.00 11 S 8.49 4.40 0.00 3.82 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 12 G 6.04 3.40 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 0.00 13 G 7.27 3.73 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 0.00 0.00 0.00 14 K 8.30 3.79 0.00 2.11 2.07 0.00 1.54 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.58 7.81 15 D 7.97 4.34 0.00 2.69 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 16 S 7.98 4.08 0.00 3.66 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 17 S 8.29 4.39 0.00 3.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.09 3.94 0.00 1.91 1.58 0.85 0.09 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 19 S 8.09 3.94 0.00 3.85 4.04 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 0.00 0.00 0.00 0.00 20 A 7.81 3.79 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 21 V 8.26 3.73 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 0.84 0.00 0.00 1.26 0.00 0.00 22 I 8.09 3.59 1.89 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.86 0.00 0.00 23 L 7.63 4.09 0.00 1.81 1.65 0.78 0.39 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 24 K 7.75 4.21 0.00 1.94 2.14 0.00 1.83 0.00 0.00 2.22 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.79 1.53 7.81 25 K 8.27 4.08 0.00 1.90 1.92 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.26 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.56 1.67 7.81 26 L 7.50 4.37 0.00 2.03 1.77 1.06 0.97 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 27 G 7.64 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 28 Y 8.10 4.35 0.00 3.05 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 29 N 8.81 4.81 0.00 2.86 2.74 0.00 0.00 6.75 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 30 P 0.00 4.80 0.00 1.24 1.62 0.00 3.40 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.94 0.00 31 H 9.06 4.47 0.00 2.59 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.64 4.46 0.00 1.69 1.37 0.49 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.79 4.87 1.83 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 0.91 0.00 0.00 34 T 8.56 4.97 4.40 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 1.34 0.00 0.00 35 I 8.44 4.58 2.04 0.00 0.00 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 1.33 0.90 0.33 0.00 0.00 36 N 9.17 5.23 0.00 2.66 2.48 0.00 0.00 6.87 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 37 F 9.04 5.06 0.00 3.27 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 38 G 8.74 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 39 V 7.95 3.80 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 0.84 0.00 0.00 1.01 0.00 0.00 40 I 7.35 4.70 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 0.67 0.00 0.00 41 P 0.00 4.58 0.00 1.77 2.07 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 42 S 7.84 4.51 0.00 4.21 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 43 Y 7.09 4.73 0.00 3.31 3.27 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 0.00 0.00 0.00 0.00 44 K 7.43 3.90 0.00 1.69 1.80 0.00 0.85 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.44 7.81 45 L 7.88 3.89 0.00 1.63 1.63 0.84 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0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.87 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 0.00 0.00 0.00 55 F 7.59 5.14 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.45 4.15 0.00 1.66 1.68 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.51 7.81 57 H 8.57 5.29 0.00 3.04 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.83 4.80 0.00 1.59 1.57 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.30 7.81 59 V 8.23 4.75 1.74 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 0.38 0.00 0.00 0.41 0.00 0.00 60 I 8.41 4.42 1.82 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 0.86 0.00 0.00 61 T 8.29 5.36 4.18 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 1.18 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 0.00 71 A 8.30 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 72 D 8.25 4.00 0.00 2.81 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 *74 I 7.69 3.91 1.86 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 1.20 0.63 0.22 0.00 0.00 75 I 7.56 3.62 1.97 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 1.25 0.56 0.92 0.00 0.00 76 E 8.10 4.01 0.00 1.87 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 2.14 2.19 0.00 77 H 8.04 4.20 0.00 3.06 2.97 0.00 6.00 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.21 3.97 0.00 2.06 2.06 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.65 7.81 79 Y 7.03 4.78 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.88 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.20 1.96 0.00 122 S 7.99 4.17 0.00 3.83 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 0.00 123 L 8.15 4.00 0.00 1.80 1.63 0.52 0.83 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 0.00 124 E 8.34 3.96 0.00 2.03 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 0.00 2.49 2.63 0.00 *126 R 7.89 4.25 0.00 1.87 2.00 0.00 3.15 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 127 K 8.08 4.27 0.00 1.84 1.90 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 128 N 7.79 4.19 0.00 2.78 2.80 0.00 0.00 6.88 8.57 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 0.00 129 I 7.25 4.90 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.92 1.01 0.00 0.00 130 Q 8.93 4.57 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 131 Y 9.44 5.22 0.00 2.84 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 0.00 132 I 8.74 4.35 1.63 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 1.20 0.51 0.76 0.00 0.00 133 T 7.99 4.72 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 0.85 0.00 0.00 134 P 0.00 4.29 0.00 1.94 2.10 0.00 3.72 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 135 L 7.25 4.16 0.00 1.95 1.63 0.98 0.60 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 *137 G 8.02 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 0.00 138 F 8.34 4.65 0.00 3.07 3.02 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 0.00 0.00 0.00 139 G 8.62 3.89 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 0.00 0.00 0.00 140 Y 9.01 4.24 0.00 3.02 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 0.00 141 K 8.22 3.97 0.00 1.94 1.89 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.63 7.81 142 T 7.92 4.09 4.31 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 1.37 0.00 0.00 143 L 8.36 4.04 0.00 2.07 1.65 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.75 3.83 0.00 1.61 1.92 0.00 3.05 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 145 H 7.87 4.28 0.00 3.26 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.19 4.15 0.00 1.75 1.72 1.05 1.07 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 0.00 147 A 8.14 4.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.48 4.38 0.00 4.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.39 4.06 0.00 1.97 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 150 F 7.83 4.02 0.00 1.93 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 0.00 0.00 0.00 151 F 7.31 5.70 0.00 3.08 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 0.00 152 I 8.66 4.45 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.94 0.00 0.00 153 L 8.61 5.19 0.00 1.52 1.58 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 154 E 9.11 4.50 0.00 2.02 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 2.20 2.22 0.00 155 E 8.77 4.27 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 156 I 9.18 3.94 1.86 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 1.22 1.54 0.90 0.00 0.00 *163 S 8.87 4.28 0.00 3.91 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 0.00 164 S 8.12 5.10 0.00 3.92 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 0.00 165 D 7.72 4.45 0.00 2.60 2.52 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 0.00 166 Y 7.97 4.67 0.00 3.07 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 0.00 167 E 8.09 3.72 0.00 1.16 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 2.29 2.19 0.00 168 A 7.76 3.89 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 0.00 169 E 8.10 4.06 0.00 2.13 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 2.54 2.50 0.00 170 I 7.46 3.69 1.61 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 1.02 0.00 0.00 171 R 7.79 3.94 0.00 2.02 1.98 0.00 3.44 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.32 0.00 172 H 8.13 4.10 0.00 3.38 3.49 0.00 5.79 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 0.00 173 I 7.76 3.73 2.02 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 1.56 0.67 0.96 0.00 0.00 174 L 7.95 4.03 0.00 2.00 1.85 1.28 1.18 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 0.00 175 K 8.13 3.90 0.00 1.92 1.80 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 176 E 7.97 3.95 0.00 2.09 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 2.28 2.41 0.00 177 R 8.04 4.18 0.00 1.93 2.01 0.00 3.21 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 178 G 8.21 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 0.00 179 E 8.11 4.41 0.00 2.06 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 2.46 0.00 180 S 8.11 4.60 0.00 3.93 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 0.00 181 P 0.00 4.40 0.00 2.29 2.33 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 182 E 8.32 3.60 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 183 K 7.67 4.04 0.00 0.79 1.33 0.00 1.40 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.15 7.81 184 Y 8.34 4.62 0.00 2.61 2.39 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 0.00 185 F 7.74 5.04 0.00 3.07 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 0.00 186 P 0.00 4.55 0.00 2.08 2.02 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.38 0.00 187 E 8.81 4.16 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 188 H 8.11 4.99 0.00 3.21 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.51 4.21 0.00 1.98 1.88 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 190 Q 8.36 4.77 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 191 T 8.21 4.81 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 1.23 0.00 0.00 192 R 8.64 4.28 0.00 1.88 1.91 0.00 3.24 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 193 V 8.22 4.21 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 0.49 0.00 0.00 0.57 0.00 0.00 194 V 9.29 4.40 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 0.72 0.00 0.00 1.00 0.00 0.00 195 G 7.09 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 0.00 0.00 0.00 196 L 8.08 5.18 0.00 1.63 1.76 1.18 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.97 4.11 0.00 1.92 1.79 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.39 7.81 198 K 7.52 4.57 0.00 1.44 1.57 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.12 1.19 7.81 199 E 8.35 4.50 0.00 2.12 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 2.25 2.26 0.00 200 I 8.12 4.10 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.