NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3012 8.1585 120.3339 56.2786 33.4723 173.9017 2 A 3.9641 8.5610 123.6482 53.5688 17.4963 174.8466 3 S 4.5398 9.2146 110.3501 58.0244 67.8956 172.5772 4 L 4.5262 8.0959 125.1647 53.1431 42.9813 175.7406 5 E 4.2993 8.0970 123.3180 55.1291 30.3973 176.1143 6 D 4.4797 8.7102 125.4971 54.4028 41.6318 177.1049 7 G 4.0464 7.9139 108.6884 45.2193 0.0000 170.8575 8 T 5.2378 7.4596 109.0746 60.5091 71.6515 173.1881 9 Y 5.5992 9.1695 119.9498 56.3981 43.5692 173.8412 10 R 5.6109 8.8012 118.1375 53.6960 34.1548 175.0068 11 L 4.9727 8.8261 121.5890 53.0743 44.8902 175.0820 12 R 4.5167 9.1133 125.2739 53.9980 32.2727 174.9493 13 A 2.8700 8.5597 129.6440 51.7107 18.9163 176.8888 14 V 4.1980 7.7931 122.8925 61.3391 35.0498 174.1678 15 T 4.7608 7.6668 114.4229 62.9953 72.8900 175.2077 16 T 3.8521 8.5442 118.4164 65.4640 67.2929 176.1365 17 S 4.2787 8.8380 116.5381 60.6832 63.5263 174.4501 18 N 4.9928 7.5806 118.9136 51.5248 39.2911 172.9503 19 P 4.1513 0.0000 0.0000 64.9402 31.9836 177.3698 20 D 4.5760 7.4691 117.3966 52.0852 41.4563 172.5872 21 P 4.4147 0.0000 0.0000 62.8565 32.3883 175.8854 22 G 3.9236 7.5371 102.7927 44.0911 0.0000 174.0119 23 V 3.9299 8.2065 114.6816 62.1512 33.2966 177.9129 24 G 3.8236 8.5886 108.5459 48.6327 0.0000 173.5330 25 G 3.8280 9.0531 110.2369 44.4295 0.0000 170.8095 26 E 5.1296 8.0586 115.7968 54.7928 33.5796 175.0755 27 Y 5.4281 9.2771 118.6027 55.8459 42.7076 174.6996 28 A 4.6417 9.2715 124.2363 52.8892 19.6536 176.8238 29 T 5.3028 9.5304 119.9076 61.7842 72.4113 174.0231 30 V 4.1458 8.3020 126.9339 61.0249 32.3632 176.2958 31 E 4.5994 8.8566 123.9200 56.0926 30.7903 176.7124 32 G 3.8327 8.3532 104.6551 44.9245 0.0000 173.7657 33 A 2.8828 7.8602 123.8766 53.3602 18.4971 177.7964 34 R 3.9189 8.5562 120.5748 56.9539 28.2935 175.9698 35 Q 4.7510 7.4897 116.1973 53.1621 31.4233 173.8664 36 P 4.5253 0.0000 0.0000 63.0319 32.2977 176.3667 37 V 4.0084 8.6116 123.9264 62.4973 32.9764 175.3387 38 K 5.0350 9.2460 126.6579 54.8579 35.3847 174.9093 39 A 5.2798 8.9021 124.0431 50.5882 20.4611 176.1467 40 E 4.5927 9.3864 121.8588 53.8620 34.2822 173.7896 41 P 4.9996 0.0000 0.0000 62.1046 32.2364 176.9288 42 S 4.5596 8.5280 116.9171 57.5738 60.7740 172.3416 43 T 4.8190 7.5703 113.5031 58.5075 72.2461 173.9607 44 P 4.2140 0.0000 0.0000 65.5253 31.1774 177.1915 45 P 3.8953 0.0000 0.0000 64.1854 31.4381 176.9598 46 F 4.9655 8.2703 115.4297 57.1736 41.1463 176.7491 47 F 4.1639 8.0695 123.0000 61.4576 39.0675 177.0772 48 E 4.0853 8.3829 117.6488 58.5270 29.6363 177.5910 49 R 4.6019 8.1360 117.6486 56.0994 30.4102 176.5975 50 Q 4.9003 7.5951 114.1257 54.7096 30.6922 174.4646 51 I 4.8125 7.5979 119.9924 59.3966 39.0838 175.0792 52 W 5.0251 9.5229 126.8365 54.8352 32.8646 174.2747 53 Q 4.6015 9.4480 125.5908 55.8127 29.5594 175.2504 54 V 4.0416 8.9005 126.7953 62.8838 32.4934 172.2798 55 T 3.3957 7.8999 128.4899 63.0072 66.9823 170.8327 56 R 4.8165 9.0491 127.2526 54.6040 31.2813 175.5421 57 N 4.8732 8.8580 122.5438 51.3661 40.4791 175.9755 58 S 4.0942 8.6064 114.0594 61.0243 62.7117 174.1869 59 D 4.6780 7.6766 119.1663 54.0344 42.0550 176.7476 60 G 3.8754 8.4722 108.5373 46.3040 0.0000 173.7080 61 Q 4.6877 7.4737 118.8831 55.0818 30.7462 175.0248 62 S 5.2966 9.0330 117.2997 57.0920 66.8501 173.6757 63 T 5.1183 8.2892 112.3964 59.8816 71.8285 173.9641 64 I 4.7544 8.1817 121.6270 59.9585 40.5867 174.3841 65 K 5.2927 9.4718 127.0835 54.6828 35.7859 175.1346 66 Y 4.4509 8.8604 124.1161 56.8543 40.0764 175.9354 67 Q 3.9106 6.5691 120.9517 55.7972 30.9218 177.2252 68 G 3.7629 5.3800 104.7719 47.8704 0.0000 177.1274 69 L 3.0415 7.5859 124.7554 55.5965 43.5308 175.3899 70 N 4.3190 7.8442 116.9948 52.5726 40.1504 172.1972 71 A 3.6510 7.9776 125.3363 51.1356 18.6613 175.3416 72 P 4.5378 0.0000 0.0000 65.9336 31.4491 177.9891 73 F 4.7576 8.0288 107.9246 56.6322 39.9092 171.4534 74 E 3.2388 8.0263 126.6783 56.2709 26.8443 172.1187 75 Y 5.0512 6.4283 122.1071 55.3476 42.3071 174.3457 76 G 4.4665 9.1619 104.3252 46.2591 0.0000 172.1906 77 F 4.7797 9.1623 120.2321 58.2560 39.9084 174.9006 78 S 5.1910 8.7671 116.8200 58.2387 65.7254 172.6140 79 Y 4.9051 7.5717 118.3479 55.9289 39.7819 172.6042 80 D 4.4651 8.2699 123.0839 55.7138 42.1903 180.2517 81 Q 4.2809 7.7942 125.4579 55.1382 31.4273 174.7881 *83 E 3.8926 8.3742 116.5862 56.2856 30.7174 174.5604 84 Q 3.7687 7.5164 119.5139 57.8856 28.9591 176.2252 85 N 4.3199 9.2295 120.9684 53.4639 37.1616 174.3517 86 A 4.3986 8.0549 121.3108 51.6462 19.7019 175.4460 87 P 4.9955 0.0000 0.0000 61.9293 33.0239 176.1001 88 V 3.8499 8.0493 122.3336 62.4157 33.1870 175.0570 *90 A 4.5801 8.1280 123.0467 52.0653 18.4983 175.3806 91 G 4.5281 8.2366 111.5013 44.3594 0.0000 170.1561 92 D 5.0357 9.0216 122.3524 53.8589 41.9079 175.3104 93 P 4.5803 0.0000 0.0000 63.5402 31.7033 176.3805 94 K 4.3107 9.1997 124.7781 55.5856 34.3392 175.3910 95 E 4.9188 8.2542 120.1043 55.4370 31.1587 175.6084 96 Y 4.9609 8.9542 119.9378 56.4016 43.0659 174.2772 97 I 4.4759 9.0673 123.1878 60.1698 38.9738 175.1254 98 L 4.8024 8.5580 128.2708 53.7257 42.1718 175.6514 99 Q 4.7145 8.5866 126.4853 53.8494 30.7729 174.5742 100 L 3.7938 8.2369 128.7581 55.4021 42.7075 176.6414 101 V 4.0581 8.5562 121.0076 59.5497 32.2416 174.5914 102 P 4.1273 0.0000 0.0000 64.5800 31.3469 175.8916 103 S 3.9305 9.2642 115.0462 59.6129 59.6135 170.3436 104 T 4.6774 7.5988 114.0842 62.5870 72.2727 174.0760 105 T 4.3553 8.4042 113.9018 62.7923 70.1369 175.4518 106 D 4.8630 7.7697 119.5647 53.2982 41.8988 174.2973 107 V 4.7569 7.6784 119.9346 62.2846 33.2074 174.1358 108 Y 5.2228 9.6293 125.5458 56.2943 42.0646 174.5836 109 I 4.7532 8.8570 122.7526 60.2450 39.5295 175.0579 110 I 4.3966 8.7134 127.7659 60.2974 38.5404 174.5232 111 R 5.2306 8.9607 127.2541 54.3023 32.2145 176.0682 112 A 4.5651 8.7837 126.5192 50.6648 18.9634 176.9613 113 P 4.5568 0.0000 0.0000 62.1376 30.1955 175.8913 114 I 4.5543 7.1175 116.6318 61.3324 39.6772 176.9249 115 Q 4.2836 8.1231 120.0442 57.9995 28.6466 178.6863 116 R 4.1684 7.9172 115.2171 58.2802 30.1256 177.5656 117 V 3.6525 7.5711 117.0368 63.9678 31.6606 176.7503 118 G 4.0040 9.2948 107.7057 45.5077 0.0000 173.0179 119 V 4.6342 7.2703 111.3095 59.5815 36.8838 173.6572 120 D 4.9970 9.1740 122.4184 52.9834 42.8850 175.8592 121 V 4.6477 8.2870 123.0622 61.0863 34.1993 173.8887 122 E 5.4343 9.4833 127.3856 54.3296 33.5929 175.4768 123 V 4.0669 9.1002 124.5043 63.3182 32.0851 175.0019 124 G 4.6926 9.2933 118.5798 44.7295 0.0000 170.9249 125 V 4.9710 8.4037 118.2857 61.0048 34.7395 175.5105 126 Q 4.4510 9.1472 127.5896 55.0879 31.7779 175.8157 127 G 3.9395 8.5533 117.4311 47.2196 0.0000 173.0452 128 N 5.0153 8.9475 121.0685 52.5585 40.3599 171.5623 129 N 5.3104 8.1405 117.2954 51.3304 41.3694 174.2065 130 L 4.6800 8.5022 124.1752 54.8548 42.9495 176.6326 131 V 4.7817 8.5944 115.8441 59.6231 36.8860 174.0698 132 Y 4.7455 8.9382 121.0030 57.7504 39.0651 174.7566 133 K 4.9881 9.4908 124.6330 54.7451 34.8159 175.2564 134 F 5.0568 9.3616 124.3139 56.2430 40.2779 175.4454 135 F 5.1502 9.3024 122.6191 54.5828 42.7703 172.9394 136 P 4.5595 0.0000 0.0000 62.4787 31.8065 177.4689 137 V 4.1024 8.0387 122.8855 62.1664 29.8251 174.6101 138 D 4.7243 7.7347 122.3513 52.8604 42.8010 178.2632 139 G 4.1545 8.4320 115.1110 44.8443 0.0000 173.1076 140 S 4.4690 7.7245 110.6775 57.9156 69.4663 176.4338 141 G 3.7337 7.2991 109.0972 45.3294 0.0000 171.4290 142 G 3.2801 9.5528 108.9840 45.7755 0.0000 172.6697 143 D 4.1744 7.2898 120.4611 54.6246 39.3807 172.2460 144 R 4.4535 7.3663 121.3245 52.7980 33.7753 173.2427 145 P 4.7953 0.0000 0.0000 62.9103 32.7169 174.9018 146 A 4.9311 8.2597 122.2097 50.7164 23.8182 174.8516 147 W 5.3007 9.4735 118.3665 55.0537 33.2914 174.9293 148 R 4.9078 9.1474 126.2222 55.8306 30.9517 174.8893 149 F 5.4472 9.5852 126.6167 56.3498 40.3756 175.4110 150 T 4.8366 8.8057 115.5243 59.6058 70.6334 174.2230 151 R 3.4571 9.0667 125.7614 56.4369 30.9115 176.6578 152 E 4.2261 8.7593 121.7398 56.5677 29.2187 176.3693 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 1 M 8.16 4.30 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 2 A 8.56 3.96 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 3 S 9.21 4.54 0.00 3.85 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 4 L 8.10 4.53 0.00 1.27 1.34 -0.25 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.10 4.30 0.00 1.97 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 2.34 2.30 0.00 6 D 8.71 4.48 0.00 2.73 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 7 G 7.91 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 8 T 7.46 5.24 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 9 Y 9.17 5.60 0.00 3.04 2.98 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 10 R 8.80 5.61 0.00 1.91 1.94 0.00 3.30 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 11 L 8.83 4.97 0.00 1.39 1.40 0.51 -0.43 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 12 R 9.11 4.52 0.00 1.38 1.62 0.00 2.98 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 13 A 8.56 2.87 0.61 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 14 V 7.79 4.20 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 0.57 0.00 0.00 0.83 0.00 0.00 15 T 7.67 4.76 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 1.28 0.00 0.00 16 T 8.54 3.85 4.41 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 1.24 0.00 0.00 17 S 8.84 4.28 0.00 3.87 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 18 N 7.58 4.99 0.00 2.60 2.56 0.00 0.00 6.76 7.51 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 19 P 0.00 4.15 0.00 2.17 2.12 0.00 3.82 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 1.95 1.91 0.00 20 D 7.47 4.58 0.00 2.58 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.03 2.04 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.14 0.00 22 G 7.54 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 0.00 0.00 0.00 23 V 8.21 3.93 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 0.75 0.00 0.00 0.96 0.00 0.00 24 G 8.59 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 0.00 0.00 0.00 25 G 9.05 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 26 E 8.06 5.13 0.00 1.81 1.80 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 2.20 2.31 0.00 27 Y 9.28 5.43 0.00 3.02 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 28 A 9.27 4.64 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.53 5.30 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 1.38 0.00 0.00 30 V 8.30 4.15 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 -0.55 0.00 0.00 0.81 0.00 0.00 31 E 8.86 4.60 0.00 2.08 1.94 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 2.25 2.24 0.00 32 G 8.35 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 33 A 7.86 2.88 0.73 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 34 R 8.56 3.92 0.00 1.97 2.08 0.00 3.16 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 35 Q 7.49 4.75 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 36 P 0.00 4.53 0.00 1.92 1.97 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 37 V 8.61 4.01 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 0.81 0.00 0.00 0.97 0.00 0.00 38 K 9.25 5.03 0.00 1.78 1.77 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.54 7.81 39 A 8.90 5.28 1.24 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 0.00 0.00 0.00 40 E 9.39 4.59 0.00 1.51 1.12 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 1.47 1.73 0.00 41 P 0.00 5.00 0.00 2.20 2.12 0.00 2.74 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.89 0.00 42 S 8.53 4.56 0.00 3.43 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 43 T 7.57 4.82 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 1.33 0.00 0.00 44 P 0.00 4.21 0.00 2.14 2.13 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 45 P 0.00 3.90 0.00 0.49 1.57 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 46 F 8.27 4.97 0.00 3.32 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 47 F 8.07 4.16 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 48 E 8.38 4.09 0.00 2.04 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 2.39 2.46 0.00 49 R 8.14 4.60 0.00 2.00 1.79 0.00 3.31 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 50 Q 7.60 4.90 0.00 1.87 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.10 6.78 0.00 0.00 0.00 0.00 0.00 2.60 2.34 0.00 51 I 7.60 4.81 1.66 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.80 0.00 0.00 52 W 9.52 5.03 0.00 3.14 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 53 Q 9.45 4.60 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 54 V 8.90 4.04 2.24 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 0.80 0.00 0.00 1.02 0.00 0.00 55 T 7.90 3.40 4.26 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 1.23 0.00 0.00 56 R 9.05 4.82 0.00 1.86 1.79 0.00 3.22 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 1.52 1.51 0.00 57 N 8.86 4.87 0.00 3.04 2.68 0.00 0.00 6.35 7.61 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 58 S 8.61 4.09 0.00 3.82 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 59 D 7.68 4.68 0.00 2.95 2.61 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 60 G 8.47 3.88 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 0.00 0.00 0.00 61 Q 7.47 4.69 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 62 S 9.03 5.30 0.00 3.66 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 63 T 8.29 5.12 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 1.26 0.00 0.00 64 I 8.18 4.75 1.02 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 -0.08 0.00 0.00 65 K 9.47 5.29 0.00 1.68 1.72 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.42 7.81 66 Y 8.86 4.45 0.00 2.52 2.46 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 67 Q 6.57 3.91 0.00 1.67 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 68 G 5.38 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 69 L 7.59 3.04 0.00 1.63 1.47 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 70 N 7.84 4.32 0.00 2.73 2.77 0.00 0.00 6.86 7.35 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 71 A 7.98 3.65 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 72 P 0.00 4.54 0.00 2.48 2.34 0.00 3.96 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 73 F 8.03 4.76 0.00 3.09 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 74 E 8.03 3.24 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 75 Y 6.43 5.05 0.00 3.16 2.57 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 76 G 9.16 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 9.16 4.78 0.00 2.80 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 78 S 8.77 5.19 0.00 4.08 3.99 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 79 Y 7.57 4.91 0.00 2.98 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 80 D 8.27 4.47 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.79 4.28 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.38 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 *83 E 8.37 3.89 0.00 1.99 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 2.21 2.17 0.00 84 Q 7.52 3.77 0.00 1.38 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.26 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 85 N 9.23 4.32 0.00 2.89 2.95 0.00 0.00 7.03 7.58 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 86 A 8.05 4.40 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 87 P 0.00 5.00 0.00 2.10 2.06 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 88 V 8.05 3.85 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 0.27 0.00 0.00 0.04 0.00 0.00 *90 A 8.13 4.58 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 91 G 8.24 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 9.02 5.04 0.00 2.79 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 93 P 0.00 4.58 0.00 2.07 2.19 0.00 3.85 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 2.16 2.42 0.00 94 K 9.20 4.31 0.00 1.43 1.33 0.00 1.01 0.00 0.00 1.36 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 0.39 7.81 95 E 8.25 4.92 0.00 1.77 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 96 Y 8.95 4.96 0.00 2.92 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 97 I 9.07 4.48 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 1.25 0.75 0.94 0.00 0.00 98 L 8.56 4.80 0.00 1.28 1.26 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.59 4.71 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 100 L 8.24 3.79 0.00 1.66 1.46 0.29 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.56 4.06 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 0.70 0.00 0.00 0.85 0.00 0.00 102 P 0.00 4.13 0.00 2.13 2.03 0.00 3.79 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 1.94 1.97 0.00 103 S 9.26 3.93 0.00 4.03 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 0.00 104 T 7.60 4.68 4.39 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 1.16 0.00 0.00 105 T 8.40 4.36 4.27 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 1.22 0.00 0.00 106 D 7.77 4.86 0.00 3.12 2.98 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 0.00 107 V 7.68 4.76 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 0.97 0.00 0.00 0.93 0.00 0.00 108 Y 9.63 5.22 0.00 2.92 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 0.00 109 I 8.86 4.75 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.23 1.01 0.00 0.00 110 I 8.71 4.40 1.86 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.97 0.68 0.00 0.00 111 R 8.96 5.23 0.00 2.04 1.91 0.00 3.15 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 112 A 8.78 4.57 1.18 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 0.00 0.00 0.00 113 P 0.00 4.56 0.00 2.17 2.19 0.00 3.61 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 1.94 1.98 0.00 114 I 7.12 4.55 1.70 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.25 0.72 0.00 0.00 115 Q 8.12 4.28 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 116 R 7.92 4.17 0.00 1.79 1.99 0.00 3.20 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 117 V 7.57 3.65 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 0.75 0.00 0.00 0.93 0.00 0.00 118 G 9.29 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 0.00 0.00 0.00 119 V 7.27 4.63 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 1.07 0.00 0.00 0.90 0.00 0.00 120 D 9.17 5.00 0.00 2.82 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 0.00 121 V 8.29 4.65 1.84 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 0.89 0.00 0.00 -0.16 0.00 0.00 122 E 9.48 5.43 0.00 2.20 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 0.00 2.31 2.35 0.00 123 V 9.10 4.07 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 0.47 0.00 0.00 0.76 0.00 0.00 124 G 9.29 4.69 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 0.00 0.00 0.00 125 V 8.40 4.97 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 0.92 0.00 0.00 1.00 0.00 0.00 126 Q 9.15 4.45 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.37 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 127 G 8.55 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 0.00 128 N 8.95 5.02 0.00 2.68 2.84 0.00 0.00 6.69 6.92 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 0.00 129 N 8.14 5.31 0.00 2.86 2.68 0.00 0.00 7.06 6.17 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 0.00 130 L 8.50 4.68 0.00 1.51 1.22 1.02 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.59 4.78 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 0.73 0.00 0.00 0.97 0.00 0.00 132 Y 8.94 4.75 0.00 3.15 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 0.00 133 K 9.49 4.99 0.00 1.93 1.33 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.64 7.81 134 F 9.36 5.06 0.00 2.79 2.95 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 0.00 0.00 0.00 0.00 135 F 9.30 5.15 0.00 2.93 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 0.00 136 P 0.00 4.56 0.00 2.29 2.12 0.00 4.00 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 2.07 2.05 0.00 137 V 8.04 4.10 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 0.90 0.00 0.00 0.95 0.00 0.00 138 D 7.73 4.72 0.00 2.77 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 0.00 139 G 8.43 4.15 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 0.00 0.00 0.00 140 S 7.72 4.47 0.00 3.82 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 0.00 141 G 7.30 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 0.00 142 G 9.55 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 0.00 143 D 7.29 4.17 0.00 2.75 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 0.00 144 R 7.37 4.45 0.00 1.55 1.62 0.00 2.36 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 0.00 145 P 0.00 4.80 0.00 2.25 2.09 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 146 A 8.26 4.93 1.18 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 0.00 0.00 0.00 147 W 9.47 5.30 0.00 3.41 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 0.00 148 R 9.15 4.91 0.00 1.94 1.85 0.00 3.14 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 149 F 9.59 5.45 0.00 2.80 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 0.00 150 T 8.81 4.84 4.41 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 1.41 0.00 0.00 151 R 9.07 3.46 0.00 1.72 1.79 0.00 3.14 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.57 0.00 152 E 8.76 4.23 0.00 1.78 1.78 0.00 0.00 0.00 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 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.