NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3292 8.3033 118.7964 55.3830 31.0002 174.6800 5 K 4.1240 8.4201 119.4510 56.2363 32.5370 175.6849 6 G 4.4585 9.4827 113.0507 45.6817 0.0000 172.8538 7 L 4.4514 9.5849 120.6609 54.1713 43.5649 176.0009 8 L 4.7722 8.3106 123.7352 53.8045 43.8165 174.8801 9 I 4.5024 8.7408 128.0748 59.3678 39.7430 174.8099 10 V 4.3262 8.5722 127.7546 61.0096 33.8386 173.6970 11 L 5.0997 8.9029 131.1956 53.7882 44.3189 175.3873 12 S 4.7355 9.1623 119.8193 58.1799 66.1991 172.6449 13 G 3.5713 7.9995 108.8161 43.4903 0.0000 170.4454 14 P 4.2910 0.0000 0.0000 61.8682 31.9211 176.3281 15 S 4.1075 8.3413 115.4121 60.1157 62.5449 174.8087 16 G 3.9431 8.8296 114.7261 45.6041 0.0000 174.5859 17 V 3.6422 7.3905 119.1325 62.8580 31.9513 177.1561 18 G 4.1071 8.2177 109.8908 45.4526 0.0000 175.7350 19 K 4.0952 8.3443 122.3503 59.4802 32.4688 178.5372 20 G 3.5714 8.0028 106.4122 47.9578 0.0000 175.6633 21 T 3.8442 7.7821 118.0072 66.2105 68.4528 176.8742 22 V 3.5638 7.8553 120.1741 65.9162 31.5682 177.9653 23 R 3.7652 8.3583 118.9114 59.2253 29.9398 178.3064 24 K 3.7902 8.1313 119.4108 59.5112 31.9841 178.6211 25 R 3.8591 7.6832 117.5071 59.4715 30.3434 178.0123 26 I 3.7867 7.8933 119.7108 64.6611 36.9274 178.4174 27 F 4.1236 8.1722 116.2915 59.8300 38.7740 177.2066 28 E 4.3259 7.9154 117.6039 57.4159 29.0648 176.3552 29 D 4.3877 7.5608 119.4643 53.4580 41.1416 174.9207 30 P 4.4257 0.0000 0.0000 64.5268 31.8294 177.7216 31 S 4.1797 8.2380 114.1454 60.4014 63.0370 173.8973 32 T 4.3833 7.1955 108.6425 59.3898 71.3718 173.2730 33 S 4.2035 7.6602 114.9650 56.7956 64.1923 172.2702 34 Y 5.1099 8.0195 124.6175 56.1489 40.9801 175.2822 35 K 4.9718 9.3201 121.4712 55.1983 34.8777 174.6631 36 Y 5.1648 8.8764 124.6302 55.9868 40.7811 174.8006 37 S 4.1889 7.9610 120.7357 57.3432 63.3092 173.3224 38 I 3.9361 7.8537 128.9318 60.6980 37.5712 175.9974 39 S 4.7802 8.3442 121.4605 58.7957 64.5662 173.1246 40 M 5.2659 9.2357 121.4890 54.9853 34.2026 175.2907 41 T 5.4801 9.0164 114.9661 60.8577 71.3655 173.8711 42 T 5.4769 8.1683 113.9903 60.6743 69.6467 174.7781 43 R 4.2535 7.4925 119.5812 55.8037 30.3781 176.7449 44 Q 4.0132 8.5415 119.0791 56.2551 29.1870 175.9660 45 M 3.6434 8.0875 121.0339 55.4138 33.0012 175.7230 46 R 4.4840 9.4214 125.2411 53.8664 32.3525 175.2999 47 E 3.9068 8.5629 119.5476 58.4789 29.5453 177.6043 48 G 3.9748 9.0137 114.0564 45.3447 0.0000 173.0078 49 E 4.6288 7.6973 118.8342 55.3938 30.9135 175.9560 50 V 4.4044 8.8413 120.4879 60.6629 34.1841 174.6180 51 D 5.0824 8.8204 127.1238 55.8945 41.4519 176.2345 52 G 3.2808 9.1184 115.3970 45.1751 0.0000 172.9565 53 V 4.0734 6.7712 115.5576 64.3819 34.3702 176.5186 54 D 4.3753 7.9896 120.6289 57.3670 41.5072 176.1320 55 Y 4.5969 7.2132 113.7472 56.6045 43.0116 174.0139 56 F 5.0279 8.9156 120.7579 56.9680 40.2301 175.0069 57 F 5.1684 9.4854 124.1183 56.3911 39.8924 175.7583 58 K 4.9241 9.3224 122.9150 54.4921 36.5173 176.3183 59 T 4.4186 8.4662 118.2695 63.3405 69.3803 175.8772 60 R 4.0753 8.6886 123.8239 59.8291 30.0697 178.7369 61 D 4.3802 8.1924 118.0850 57.2064 40.8044 178.4255 62 A 3.9829 7.9963 120.8296 55.0630 18.4267 179.1251 63 F 3.8382 8.3666 119.1802 61.6741 39.3934 177.2936 64 E 3.8128 8.5527 117.9448 59.1078 29.2827 179.1072 65 A 3.9572 8.1576 121.0150 55.1794 18.3379 179.7234 66 L 3.7388 7.9888 117.6133 57.6662 41.5682 179.6342 67 I 3.6793 7.8437 120.0070 64.4647 36.8536 178.3440 68 K 3.9263 7.9082 118.7921 59.0515 31.9682 177.1555 69 D 4.5960 7.5670 115.6403 52.9196 41.6705 175.4596 70 D 4.3942 7.8635 115.8064 56.0457 38.9063 173.9917 71 Q 4.3628 8.0956 115.0545 55.6195 30.2197 176.0145 72 F 5.3361 7.7021 117.9388 55.7307 41.0418 175.6307 73 I 4.2963 9.0476 125.3029 64.3334 37.6023 176.2218 74 E 5.0835 8.3265 117.7440 55.5686 32.7918 173.5507 75 Y 5.4715 8.1147 117.6280 56.4013 41.3800 173.2480 76 A 4.5634 9.3576 120.6080 50.8023 23.3499 174.5553 77 E 4.7253 8.2531 119.9543 54.4496 31.9387 174.9348 78 Y 4.6944 9.0445 124.2420 57.5186 41.2797 175.9827 79 V 3.4110 9.7818 125.7412 63.9524 29.9668 173.9291 80 G 3.8711 8.2299 105.6689 45.1623 0.0000 172.6491 81 N 4.8246 7.8667 117.5905 51.4159 41.5139 173.7881 82 Y 4.6413 8.1566 120.8730 57.7027 39.7196 174.2210 83 Y 5.2360 8.9306 119.3755 56.7742 42.7174 174.5232 84 G 4.4337 9.4613 108.6813 46.0832 0.0000 172.4036 85 T 4.9779 8.8741 117.8922 61.0655 69.6761 173.1783 86 P 4.4879 0.0000 0.0000 62.9069 32.3148 178.0081 87 V 3.8821 8.5851 116.5385 64.4981 31.4482 178.8797 88 Q 3.9532 7.9403 118.8592 59.3170 28.9950 177.3556 89 Y 4.0275 8.0339 120.0660 60.6972 38.7263 178.2623 90 V 3.4418 7.8067 118.4520 65.8661 31.7912 177.6425 91 K 3.9696 8.0588 118.1841 59.9580 32.1268 178.9602 92 D 4.3367 8.2229 118.8459 57.7459 40.5893 179.1678 93 T 3.9790 7.7464 116.2090 66.7378 68.3233 176.8463 94 M 4.2690 8.2567 120.9697 58.5694 31.7617 178.4837 95 D 4.4492 8.0409 118.0203 57.3603 41.0601 178.2939 96 E 4.1397 7.7672 117.1048 57.4380 29.5494 177.8436 97 G 4.1038 8.0317 106.7945 42.9048 0.0000 172.7757 98 H 4.8002 7.7274 117.7535 54.7944 30.5357 174.4981 99 D 5.1306 8.7948 122.6975 54.3683 42.3405 175.1365 100 V 4.8820 8.9761 123.8249 61.1867 33.9549 174.1051 101 F 5.0432 9.4674 130.9049 56.6709 40.6202 174.0949 102 L 4.6255 9.1546 127.4971 53.2081 43.9375 175.4014 103 E 5.2764 8.7481 123.2908 54.5227 31.4572 174.7776 104 I 4.8727 8.3882 119.5469 58.9990 41.3833 174.9020 105 E 4.3718 8.6838 121.3617 55.5016 30.2690 177.9633 106 V 4.0079 8.9163 122.6000 65.7178 31.2336 178.1499 107 E 4.3497 8.3901 115.6476 58.3403 29.8086 178.5512 108 G 3.5356 8.4819 106.8707 46.9757 0.0000 175.3809 109 A 4.0533 7.7562 122.7450 54.9939 18.1354 179.5464 110 K 3.7015 7.5206 117.8294 59.5817 31.7661 179.0846 111 Q 3.9812 7.9713 117.8191 59.0105 28.7614 178.7685 112 V 3.6916 7.7930 119.0441 66.2534 31.1246 178.1074 113 R 4.5588 8.3841 118.4920 59.1675 29.5743 178.5391 114 K 3.9849 7.7353 117.7054 59.1758 32.1289 178.6494 115 K 4.2435 7.5720 116.5966 56.6778 34.0999 177.1196 116 F 4.8520 8.7039 118.1393 54.4268 38.9952 173.6544 117 P 4.5481 0.0000 0.0000 64.5430 31.6269 177.9538 118 D 4.8222 8.0593 116.0485 53.7628 41.1492 176.0400 119 A 4.1404 7.8144 121.5292 52.0207 19.5339 177.7865 120 L 4.4605 8.6089 122.5608 54.1069 43.3161 175.7196 121 F 5.2275 9.5839 127.2832 56.2507 40.7004 175.2038 122 I 5.1286 9.3138 126.1504 59.4907 39.8730 174.6642 123 F 4.3904 9.3323 130.8992 56.7440 40.8746 174.1359 124 L 4.9016 8.5568 129.4965 54.1985 43.1627 175.0881 125 A 5.1821 9.0268 128.9475 49.3696 21.8543 174.1754 126 P 4.6952 0.0000 0.0000 61.8582 32.3955 174.4520 127 P 4.5225 0.0000 0.0000 63.0101 32.0797 175.5662 128 S 4.6350 8.3139 114.7990 56.4190 65.1070 173.6492 *156 K 4.3506 8.4659 125.6350 56.3409 33.8035 177.6239 157 E 3.7468 8.0462 115.9517 58.7612 29.7939 178.5276 158 V 3.8211 7.4113 117.1486 63.9463 30.8637 176.6480 159 E 4.1037 8.1151 119.5997 58.4885 29.4658 177.1538 160 M 4.2520 7.7902 116.8661 57.0150 32.5652 176.8831 161 M 3.5847 7.4086 116.8411 58.4812 30.8883 177.7144 162 N 4.4452 7.3801 116.9686 55.0278 37.4676 176.1882 163 L 4.1000 7.7682 119.7842 55.0048 42.2786 175.8185 164 Y 4.6694 7.6755 117.2214 56.1681 40.8141 176.0240 165 D 4.4817 9.1942 121.7723 56.5282 41.8897 176.8424 166 Y 4.8860 8.1026 113.7873 56.0794 42.8078 174.6435 167 V 4.9677 8.6446 121.0709 61.2416 34.3550 174.6549 168 V 4.4884 9.0590 128.1766 60.9744 34.1985 174.4120 169 V 4.2287 8.4886 128.3161 62.4983 32.0920 176.2971 170 N 4.7379 8.9053 129.9086 52.9530 36.1141 174.2228 171 D 4.5309 8.1841 122.2368 55.3420 40.8135 178.2087 172 E 4.7243 7.7014 118.6500 52.7695 34.7658 176.3582 173 V 3.5738 8.4060 121.9883 66.2933 31.6575 178.1049 174 E 3.9503 8.1188 118.4129 59.2508 29.5628 178.6673 175 L 4.0045 7.8796 118.3892 57.6297 41.8006 179.1032 176 A 4.0100 8.1720 120.8291 54.9193 18.2472 179.4927 177 K 3.8578 8.1407 118.0948 59.8737 32.2852 178.6570 178 N 4.3356 8.2104 116.5937 56.3958 38.4271 177.6131 179 R 3.9324 8.1013 119.3106 59.3802 30.1457 179.2083 180 I 3.7057 7.9053 119.5311 64.5086 37.0857 178.4669 181 Q 4.0711 8.4834 119.2492 59.2290 28.4186 178.7924 182 C 4.1525 8.2926 117.7359 62.7624 28.1474 176.1884 183 I 3.4317 7.6462 121.3755 64.3050 36.7423 178.7264 184 V 3.5507 7.9095 119.1102 65.8581 31.1730 177.4945 185 E 3.9605 8.1588 117.7832 59.3982 29.7545 178.3689 186 A 4.1384 8.2938 120.9679 55.1366 18.5660 179.0636 187 E 3.9053 8.3000 117.8219 59.9589 29.4448 178.8962 188 H 4.2876 8.0235 114.7564 58.1527 28.8208 176.7714 189 L 4.3807 7.5713 118.5321 53.6550 42.4136 176.9203 190 K 4.0291 7.4188 121.8835 56.2234 32.9772 177.3424 191 R 3.9042 8.8480 125.6609 59.6149 29.9587 178.2497 192 E 3.9757 8.2890 117.8009 59.7096 29.3976 179.5309 193 R 3.8949 7.8990 117.0138 59.4399 30.1005 179.1316 194 V 3.5796 7.5174 116.5745 65.8624 31.5116 177.4604 195 E 4.0451 8.6229 118.4622 59.2365 29.6528 178.2843 196 A 4.1151 7.7905 119.3443 54.9351 18.5660 177.7162 197 K 4.0657 8.1383 121.5676 57.1733 32.4151 176.1068 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 4 E 8.30 4.33 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 5 K 8.42 4.12 0.00 1.77 1.82 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.53 7.81 6 G 9.48 4.46 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 0.00 7 L 9.58 4.45 0.00 1.65 1.55 0.74 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.31 4.77 0.00 1.51 1.31 0.71 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.74 4.50 1.30 0.00 0.00 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 0.98 0.73 0.21 0.00 0.00 10 V 8.57 4.33 1.64 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 0.91 0.00 0.00 0.49 0.00 0.00 11 L 8.90 5.10 0.00 1.56 1.65 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.16 4.74 0.00 4.05 3.51 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 13 G 8.00 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 0.00 0.00 0.00 14 P 0.00 4.29 0.00 2.14 1.98 0.00 3.40 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 15 S 8.34 4.11 0.00 3.71 3.71 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 0.00 16 G 8.83 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 0.00 0.00 0.00 17 V 7.39 3.64 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 0.53 0.00 0.00 0.91 0.00 0.00 18 G 8.22 4.11 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 0.00 19 K 8.34 4.10 0.00 2.00 2.02 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.68 7.81 20 G 8.00 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 0.00 0.00 0.00 21 T 7.78 3.84 4.35 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 1.19 0.00 0.00 22 V 7.86 3.56 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 1.11 0.00 0.00 0.95 0.00 0.00 23 R 8.36 3.77 0.00 2.13 2.06 0.00 3.20 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 24 K 8.13 3.79 0.00 1.87 1.88 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.34 7.81 25 R 7.68 3.86 0.00 1.83 2.09 0.00 3.53 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 26 I 7.89 3.79 1.68 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 1.43 0.75 0.19 0.00 0.00 27 F 8.17 4.12 0.00 2.84 3.06 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 28 E 7.92 4.33 0.00 2.16 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 2.48 0.00 29 D 7.56 4.39 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.43 0.00 2.19 2.14 0.00 3.80 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 1.96 1.93 0.00 31 S 8.24 4.18 0.00 3.98 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 32 T 7.20 4.38 3.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 S 7.66 4.20 0.00 3.65 3.58 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 34 Y 8.02 5.11 0.00 1.86 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 35 K 9.32 4.97 0.00 1.84 2.00 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.66 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.43 1.53 7.81 36 Y 8.88 5.16 0.00 2.67 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 37 S 7.96 4.19 0.00 3.92 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 38 I 7.85 3.94 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.43 0.00 0.00 39 S 8.34 4.78 0.00 3.99 4.19 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 0.00 0.00 0.00 0.00 40 M 9.24 5.27 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.70 0.00 41 T 9.02 5.48 3.63 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 0.45 0.00 0.00 42 T 8.17 5.48 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 1.28 0.00 0.00 43 R 7.49 4.25 0.00 1.86 2.05 0.00 3.17 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.50 0.00 44 Q 8.54 4.01 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 45 M 8.09 3.64 0.00 1.52 0.67 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.24 0.00 46 R 9.42 4.48 0.00 1.97 1.83 0.00 3.24 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 47 E 8.56 3.91 0.00 1.89 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 2.30 2.41 0.00 48 G 9.01 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 0.00 0.00 0.00 49 E 7.70 4.63 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 50 V 8.84 4.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.95 0.00 0.00 51 D 8.82 5.08 0.00 2.85 2.70 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 52 G 9.12 3.28 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 53 V 6.77 4.07 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 0.78 0.00 0.00 0.90 0.00 0.00 54 D 7.99 4.38 0.00 2.96 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 55 Y 7.21 4.60 0.00 1.43 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 0.00 0.00 0.00 0.00 56 F 8.92 5.03 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.49 5.17 0.00 3.03 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 58 K 9.32 4.92 0.00 1.82 1.79 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.65 7.81 59 T 8.47 4.42 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 1.32 0.00 0.00 60 R 8.69 4.08 0.00 1.93 1.99 0.00 3.18 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 61 D 8.19 4.38 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.00 3.98 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 63 F 8.37 3.84 0.00 3.31 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 64 E 8.55 3.81 0.00 2.08 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 2.22 2.50 0.00 65 A 8.16 3.96 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 66 L 7.99 3.74 0.00 1.57 0.99 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.84 3.68 1.81 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.41 0.73 0.00 0.00 68 K 7.91 3.93 0.00 1.79 1.97 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.45 7.81 69 D 7.57 4.60 0.00 2.73 2.51 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 70 D 7.86 4.39 0.00 2.84 2.70 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 71 Q 8.10 4.36 0.00 1.55 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 72 F 7.70 5.34 0.00 3.06 3.26 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 73 I 9.05 4.30 2.03 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 1.61 0.64 1.14 0.00 0.00 74 E 8.33 5.08 0.00 2.11 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 2.39 2.52 0.00 75 Y 8.11 5.47 0.00 3.06 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 76 A 9.36 4.56 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 77 E 8.25 4.73 0.00 1.55 1.54 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 1.84 1.52 0.00 78 Y 9.04 4.69 0.00 3.10 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 79 V 9.78 3.41 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 0.76 0.00 0.00 0.99 0.00 0.00 80 G 8.23 3.87 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 0.00 0.00 0.00 81 N 7.87 4.82 0.00 2.80 2.36 0.00 0.00 6.93 7.07 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 82 Y 8.16 4.64 0.00 1.62 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 83 Y 8.93 5.24 0.00 3.00 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 84 G 9.46 4.43 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 85 T 8.87 4.98 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 86 P 0.00 4.49 0.00 2.03 1.82 0.00 3.82 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 87 V 8.59 3.88 2.17 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 0.97 0.00 0.00 0.88 0.00 0.00 88 Q 7.94 3.95 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 89 Y 8.03 4.03 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.81 3.44 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 0.87 0.00 0.00 1.03 0.00 0.00 91 K 8.06 3.97 0.00 2.05 1.90 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.68 7.81 92 D 8.22 4.34 0.00 2.57 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 93 T 7.75 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 1.13 0.00 0.00 94 M 8.26 4.27 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 95 D 8.04 4.45 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.77 4.14 0.00 2.15 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 2.33 2.30 0.00 97 G 8.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 7.73 4.80 0.00 3.21 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.79 5.13 0.00 2.84 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.98 4.88 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 0.88 0.00 0.00 0.99 0.00 0.00 101 F 9.47 5.04 0.00 2.81 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 0.00 102 L 9.15 4.63 0.00 1.51 1.51 0.83 0.10 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 0.00 103 E 8.75 5.28 0.00 2.19 1.95 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0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 112 V 7.79 3.69 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.15 0.00 0.00 113 R 8.38 4.56 0.00 1.44 1.71 0.00 2.94 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 114 K 7.74 3.98 0.00 1.93 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.76 7.81 115 K 7.57 4.24 0.00 1.67 1.52 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.50 7.81 116 F 8.70 4.85 0.00 3.13 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 0.00 117 P 0.00 4.55 0.00 2.22 2.22 0.00 3.40 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 118 D 8.06 4.82 0.00 2.74 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 0.00 119 A 7.81 4.14 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 0.00 0.00 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128 S 8.31 4.64 0.00 3.79 3.70 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 *156 K 8.47 4.35 0.00 1.85 1.83 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.43 7.81 157 E 8.05 3.75 0.00 2.18 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 0.00 2.40 2.27 0.00 158 V 7.41 3.82 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.02 0.00 0.00 159 E 8.12 4.10 0.00 2.36 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 2.27 2.29 0.00 160 M 7.79 4.25 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.84 0.00 161 M 7.41 3.58 0.00 1.10 1.81 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 162 N 7.38 4.45 0.00 2.67 2.94 0.00 0.00 6.98 7.67 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 0.00 163 L 7.77 4.10 0.00 1.64 1.41 0.98 0.54 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 0.00 164 Y 7.68 4.67 0.00 3.20 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 D 9.19 4.48 0.00 2.96 2.51 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 0.00 166 Y 8.10 4.89 0.00 2.96 2.88 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 0.00 0.00 0.00 167 V 8.64 4.97 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 0.93 0.00 0.00 168 V 9.06 4.49 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 0.97 0.00 0.00 1.00 0.00 0.00 169 V 8.49 4.23 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 0.82 0.00 0.00 0.98 0.00 0.00 170 N 8.91 4.74 0.00 2.71 2.72 0.00 0.00 7.29 8.13 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 0.00 171 D 8.18 4.53 0.00 2.81 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 0.00 172 E 7.70 4.72 0.00 1.96 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 2.29 2.34 0.00 173 V 8.41 3.57 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 1.02 0.00 0.00 0.92 0.00 0.00 174 E 8.12 3.95 0.00 2.11 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 2.38 2.46 0.00 175 L 7.88 4.00 0.00 2.01 1.71 1.09 0.80 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 0.00 176 A 8.17 4.01 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 0.00 177 K 8.14 3.86 0.00 1.90 1.98 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 178 N 8.21 4.34 0.00 2.94 2.86 0.00 0.00 7.10 6.96 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 0.00 179 R 8.10 3.93 0.00 2.06 2.00 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 180 I 7.91 3.71 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 1.04 0.00 0.00 181 Q 8.48 4.07 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 182 C 8.29 4.15 0.00 3.13 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 I 7.65 3.43 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.71 0.04 0.00 0.00 184 V 7.91 3.55 2.21 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 1.22 0.00 0.00 1.00 0.00 0.00 185 E 8.16 3.96 0.00 2.04 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 0.00 2.34 2.40 0.00 186 A 8.29 4.14 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 0.00 187 E 8.30 3.91 0.00 2.19 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 2.27 2.36 0.00 188 H 8.02 4.29 0.00 3.41 3.35 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 7.57 4.38 0.00 1.80 1.72 0.94 0.90 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 0.00 190 K 7.42 4.03 0.00 2.05 1.70 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.73 7.81 191 R 8.85 3.90 0.00 1.90 1.93 0.00 3.52 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 192 E 8.29 3.98 0.00 2.11 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 2.42 2.50 0.00 193 R 7.90 3.89 0.00 2.03 1.99 0.00 3.12 0.00 0.00 3.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 194 V 7.52 3.58 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 0.80 0.00 0.00 1.05 0.00 0.00 195 E 8.62 4.05 0.00 2.22 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 2.33 2.33 0.00 196 A 7.79 4.12 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 0.00 197 K 8.14 4.07 0.00 2.00 1.89 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.