NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3029 0.0000 0.0000 62.8633 33.7044 174.4278 2 H 5.1482 7.8724 117.1359 54.0072 32.7092 171.5377 3 F 5.5793 9.2500 124.5356 55.7018 43.0569 173.4742 4 L 4.4604 8.3455 123.6230 53.4142 44.0767 175.2283 5 I 4.6968 8.3166 128.0830 59.9901 38.5554 174.1804 6 L 5.2067 9.2429 130.6897 53.2290 44.4806 174.6906 7 N 5.4101 9.2121 124.0066 51.7385 41.6687 175.2370 8 G 4.1424 9.2106 114.5769 43.4880 0.0000 170.7048 9 P 4.9892 0.0000 0.0000 63.8698 31.4652 176.4266 10 N 4.3197 8.6794 116.3329 53.8099 37.7368 176.5271 11 V 3.6415 7.4430 118.9245 65.3800 31.7898 177.6380 12 N 4.3867 8.0490 116.0578 55.1427 37.4604 175.6414 13 R 4.2331 7.8640 117.2252 55.6664 30.8114 176.0006 14 L 3.8918 7.4248 119.2969 56.2437 42.3941 177.2570 15 G 4.0559 9.0516 112.8047 46.4084 0.0000 175.4313 16 S 4.2900 8.0887 112.4802 58.9396 63.1094 173.6913 17 R 4.1724 7.8371 117.7605 57.0427 32.2582 175.2562 18 E 3.7819 8.2395 108.4419 56.7355 26.0417 174.2909 19 P 5.0133 0.0000 0.0000 63.6990 32.2068 178.7136 20 E 4.0468 8.1329 117.6363 58.7397 29.9891 177.9673 21 V 3.6781 7.8030 116.9368 64.7453 31.8748 176.4338 22 F 4.7028 8.1921 115.1343 56.5336 39.5065 176.0487 23 G 4.0975 7.8981 111.0449 44.8977 0.0000 175.3942 24 R 4.0605 8.3715 117.1659 58.4835 30.4394 177.8666 25 Q 4.4056 8.2065 115.1922 55.5349 29.5635 175.7579 26 T 5.0726 8.0138 111.4274 59.1911 72.4591 175.2912 27 L 3.8806 8.1664 122.0216 58.5658 41.9425 178.8929 28 T 3.7132 7.7680 115.1655 66.5381 68.1738 175.9246 29 D 4.3071 7.8952 120.5325 57.6507 40.8678 179.0192 30 I 3.7138 7.5389 119.8650 64.2773 37.0643 178.0830 31 E 3.2412 8.2267 120.4278 59.2975 29.3302 178.9922 32 T 3.7909 7.9060 115.8441 66.8132 68.5370 176.3218 33 D 4.3952 8.1303 120.6646 57.4754 40.7692 178.9604 34 L 4.3130 8.3798 121.9356 58.1207 41.5386 180.3686 *35 F 4.1954 8.1621 120.9170 61.9290 38.0974 181.1017 36 Q 4.1961 8.2050 119.2344 59.0411 28.1320 178.9542 37 F 4.1712 8.4008 121.0374 61.5538 39.3203 177.1273 38 A 3.8987 8.3945 120.3201 55.1012 18.0776 179.3723 39 E 3.8186 8.1878 116.9346 59.6299 29.3674 179.5498 40 A 4.0745 7.8982 121.4234 54.4453 18.3947 179.2436 41 L 4.4058 6.7323 117.9733 55.1466 42.8057 181.5008 42 H 4.1991 7.4506 114.8362 57.1897 26.4809 173.6850 43 I 4.6916 7.5842 110.9965 59.6479 41.4673 176.1084 44 Q 4.7860 8.7151 121.7365 54.2484 31.6093 174.7879 45 L 5.3226 8.3980 120.8605 53.3616 45.6895 175.9414 46 T 4.7041 8.5190 118.7503 61.7694 72.0463 172.8172 47 F 5.2229 8.9215 123.9673 55.9133 41.2453 175.0265 48 F 5.1224 9.0283 124.4730 56.8488 43.0897 172.8401 49 Q 5.2141 7.6497 125.3888 53.4788 31.9051 173.7058 50 S 4.5276 8.1914 118.6481 57.3315 65.5462 173.3843 51 N 4.6093 8.9545 120.2581 53.7301 39.4338 174.3087 52 H 4.8891 8.1670 117.6017 54.1044 30.1635 175.2538 53 E 4.0056 9.1531 125.8285 59.4981 29.3400 178.8871 54 G 3.7459 8.1851 104.9446 48.1549 0.0000 175.0628 55 D 4.5362 8.0808 120.8089 57.1116 40.8369 179.0089 56 L 4.1537 7.9468 119.0027 57.7139 41.6784 179.2465 57 I 3.6029 7.6394 119.4145 64.5223 37.1072 177.8022 58 D 4.3357 8.4437 119.7124 57.7071 40.7456 179.0472 59 A 3.9712 8.0499 120.7130 55.2088 18.0658 179.8657 60 I 3.6725 7.4735 117.2607 64.9001 37.3338 177.7121 61 H 4.3690 8.2297 117.1247 59.3830 28.7911 177.4757 62 E 4.0088 8.4004 118.8062 58.3525 29.3475 178.9700 63 A 4.2760 8.0133 121.6334 55.0523 18.2152 178.8364 64 E 4.0534 7.7349 117.8595 58.9781 29.2403 178.1029 65 E 4.5836 7.3668 114.5929 55.9426 29.7895 176.0606 66 Q 4.1128 8.3469 118.8597 55.7044 31.9787 173.8278 67 Y 4.9291 7.5533 113.3121 56.2297 41.0431 175.0885 68 S 4.7668 8.8721 113.4576 57.3699 63.7246 174.0443 69 G 4.3062 7.2698 107.6404 46.4719 0.0000 172.3257 70 I 5.1479 7.9382 121.6655 59.1810 41.0744 174.8626 71 V 4.3273 8.9162 127.2984 61.3534 33.1779 173.8177 72 L 5.0409 8.7232 131.3107 53.4107 44.2865 174.5657 73 N 5.1798 9.3574 125.8467 50.3910 40.1691 172.5100 74 P 4.5944 0.0000 0.0000 61.8025 32.9384 178.1686 75 G 3.8742 8.4858 108.6915 45.5846 0.0000 174.4151 76 A 4.2300 8.5829 120.2770 54.8322 18.9376 179.8443 77 L 3.1934 7.5346 115.0685 57.6736 42.1066 179.3709 78 S 3.9456 7.9234 113.0352 61.8209 62.1221 175.6116 79 H 4.8076 8.2174 113.7538 56.5281 28.7046 175.3152 80 Y 4.6437 7.1161 113.2240 56.1315 42.0764 176.2063 81 S 4.1836 7.8049 116.5972 57.9680 60.7464 173.5137 82 Y 4.2772 8.1039 125.2403 59.8755 37.9269 177.3653 83 A 4.1042 7.9708 122.0356 55.1275 18.6560 179.5332 84 I 3.7434 7.6517 117.9600 64.1037 37.1182 178.6411 85 R 3.8729 7.7790 119.3064 59.7430 30.0296 178.4775 86 D 4.4660 8.3913 118.1677 56.8863 40.4797 178.7147 87 A 4.0791 7.7704 121.0814 55.1882 18.5951 179.4407 88 V 3.7199 7.8049 116.7991 66.4021 31.3820 178.4880 89 S 4.2267 7.8559 113.5758 61.0401 62.7249 175.8048 90 S 4.5568 7.6542 114.2970 57.7242 63.3462 173.4262 91 I 4.8199 7.2284 115.2330 58.5105 40.0137 175.3523 92 S 4.5792 9.5260 114.7036 58.8854 63.9266 174.9208 93 L 4.3845 7.8855 120.9024 53.9679 42.4953 175.0401 94 P 4.5273 0.0000 0.0000 62.8428 32.8362 175.0663 95 V 4.8419 8.5167 123.1486 60.9589 34.8303 174.0251 96 V 4.7117 8.3845 126.7629 60.9854 34.4097 173.7510 97 E 4.7229 8.6859 129.5105 55.6276 30.4109 175.1581 98 V 4.8541 8.7411 126.9974 61.3458 35.0034 173.8355 99 H 4.7715 8.7100 123.4567 54.1947 32.4509 174.3357 100 L 4.0135 8.7463 123.2528 57.9290 42.2601 178.0127 101 S 4.3055 7.7078 111.2841 57.4231 64.1372 173.9254 102 N 4.4487 8.0544 119.8511 51.9705 37.4856 174.9651 103 L 3.7171 7.9013 125.4355 57.6333 41.9242 179.5586 104 Y 3.7592 6.7197 114.6947 60.0667 37.7604 176.7627 105 A 4.5043 7.6874 120.7208 51.9934 20.0019 177.1364 106 R 4.7731 7.4247 116.6096 54.4921 32.3168 175.6315 107 E 3.9384 8.4443 118.3831 57.4742 30.2860 177.5469 108 E 3.2831 8.7783 122.9846 59.0934 29.7712 179.1096 109 F 4.2354 7.9326 112.0363 59.2657 37.9618 175.9259 110 R 3.3830 6.8598 118.6910 57.0019 29.9722 176.6079 111 H 4.7422 7.9357 115.0186 56.1421 29.1271 175.1190 112 Q 4.6411 7.7590 117.8955 54.1861 31.3917 173.7078 113 S 4.9178 8.6771 115.0907 56.8000 64.2964 174.0747 114 V 4.1204 8.4236 120.1589 61.9909 32.2202 177.0356 115 I 4.0663 7.5241 120.4293 62.9780 38.1156 177.7601 116 A 4.0529 8.1595 123.4580 54.5990 18.3639 177.8102 117 P 4.3258 0.0000 0.0000 65.0316 31.4451 177.4069 118 V 4.1404 7.7615 108.5135 60.9216 32.3631 175.6113 119 A 4.4776 7.3825 123.0881 50.9139 19.9861 177.5919 120 K 4.1057 8.7695 118.2023 59.5517 32.8052 177.9449 121 G 3.9431 7.3979 103.7190 46.6269 0.0000 171.6974 122 Q 5.1123 8.5508 119.2409 54.8120 32.5561 174.7089 123 I 4.5885 8.6349 125.3057 59.5042 40.3716 174.6823 124 V 4.7519 8.4064 126.1293 62.2982 34.2481 175.8256 125 G 3.9075 8.8592 114.6304 45.6027 0.0000 173.6704 126 L 4.4145 7.6919 118.3122 53.9412 42.3700 178.4470 127 G 3.8469 7.9632 109.6172 45.5700 0.0000 174.5886 128 A 4.1781 8.5098 119.6741 55.0170 18.8928 179.4995 129 E 3.9688 8.5505 116.4118 59.7685 29.3444 179.0438 130 G 3.6374 8.2369 105.4815 48.1519 0.0000 175.1345 131 Y 4.1536 7.8911 118.5956 60.8616 37.7595 178.8969 132 K 3.7430 7.8169 118.8947 59.3673 32.2593 179.2887 133 L 3.9949 8.2073 119.3826 57.7758 41.5081 179.5016 134 A 4.0583 8.1485 120.7798 55.0726 18.2992 179.8735 135 V 3.3726 8.2221 117.2085 66.0755 31.5111 178.5404 136 R 4.0271 8.3858 118.2206 59.3474 29.7033 178.2593 137 Y 4.1121 7.8216 119.5725 60.1142 39.0897 177.9467 138 L 3.8274 7.8525 119.7705 57.6046 41.3891 179.5137 139 L 4.1955 7.7489 118.0920 57.7871 42.0139 179.4076 140 S 4.2466 8.4109 113.3469 60.0734 62.5592 174.4066 141 Q 4.0963 8.0026 127.0963 56.0441 28.7938 175.1518 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 P 0.00 4.30 0.00 1.61 2.07 0.00 3.19 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 1.88 2.02 0.00 2 H 7.87 5.15 0.00 3.08 3.07 0.00 5.55 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 3 F 9.25 5.58 0.00 3.02 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 4 L 8.35 4.46 0.00 0.74 1.18 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.32 4.70 1.51 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.36 0.97 0.00 0.00 6 L 9.24 5.21 0.00 1.67 1.55 0.98 0.80 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 7 N 9.21 5.41 0.00 2.64 2.69 0.00 0.00 6.44 8.38 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 8 G 9.21 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.99 0.00 2.19 2.21 0.00 3.66 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 10 N 8.68 4.32 0.00 2.86 2.94 0.00 0.00 6.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.44 3.64 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 1.10 0.00 0.00 1.09 0.00 0.00 12 N 8.05 4.39 0.00 2.81 3.02 0.00 0.00 6.02 7.66 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 13 R 7.86 4.23 0.00 1.85 1.89 0.00 3.27 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 14 L 7.42 3.89 0.00 1.63 1.74 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.05 4.06 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 0.00 0.00 0.00 16 S 8.09 4.29 0.00 3.97 3.96 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 17 R 7.84 4.17 0.00 2.02 1.90 0.00 3.21 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.44 0.00 18 E 8.24 3.78 0.00 1.99 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 2.24 1.88 0.00 19 P 0.00 5.01 0.00 2.19 2.15 0.00 3.86 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 2.13 2.09 0.00 20 E 8.13 4.05 0.00 1.92 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 2.30 2.35 0.00 21 V 7.80 3.68 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 0.37 0.00 0.00 0.87 0.00 0.00 22 F 8.19 4.70 0.00 3.17 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 23 G 7.90 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 24 R 8.37 4.06 0.00 1.81 2.01 0.00 3.28 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 25 Q 8.21 4.41 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 26 T 8.01 5.07 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 1.18 0.00 0.00 27 L 8.17 3.88 0.00 1.87 1.63 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.77 3.71 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 1.13 0.00 0.00 29 D 7.90 4.31 0.00 3.05 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 I 7.54 3.71 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.72 0.00 0.00 31 E 8.23 3.24 0.00 1.78 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 32 T 7.91 3.79 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 1.19 0.00 0.00 33 D 8.13 4.40 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.38 4.31 0.00 2.06 2.06 0.93 1.13 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 *35 F 8.16 4.20 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.21 4.20 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 37 F 8.40 4.17 0.00 3.20 3.30 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 0.00 38 A 8.39 3.90 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 0.00 0.00 0.00 0.00 0.00 39 E 8.19 3.82 0.00 2.38 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 2.33 2.21 0.00 40 A 7.90 4.07 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 41 L 6.73 4.41 0.00 1.78 1.53 0.92 1.06 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 42 H 7.45 4.20 0.00 3.10 3.33 0.00 5.80 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 43 I 7.58 4.69 1.93 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 1.32 0.52 1.00 0.00 0.00 44 Q 8.72 4.79 0.00 1.76 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 45 L 8.40 5.32 0.00 1.47 1.10 1.13 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.52 4.70 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 1.32 0.00 0.00 47 F 8.92 5.22 0.00 2.93 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 F 9.03 5.12 0.00 3.09 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 49 Q 7.65 5.21 0.00 1.92 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.52 0.00 0.00 0.00 0.00 0.00 2.23 2.04 0.00 50 S 8.19 4.53 0.00 3.60 3.59 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 51 N 8.95 4.61 0.00 2.75 2.77 0.00 0.00 6.84 8.16 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 52 H 8.17 4.89 0.00 3.38 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.15 4.01 0.00 1.99 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 2.37 2.33 0.00 54 G 8.19 3.75 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 0.00 0.00 0.00 55 D 8.08 4.54 0.00 3.04 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 56 L 7.95 4.15 0.00 1.71 1.76 0.92 1.02 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 57 I 7.64 3.60 1.97 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 1.50 0.71 0.77 0.00 0.00 58 D 8.44 4.34 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.05 3.97 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 60 I 7.47 3.67 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.96 0.00 0.00 61 H 8.23 4.37 0.00 3.32 3.38 0.00 5.63 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 62 E 8.40 4.01 0.00 2.09 1.97 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 2.32 2.38 0.00 63 A 8.01 4.28 1.60 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 0.00 0.00 64 E 7.73 4.05 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 65 E 7.37 4.58 0.00 2.04 1.87 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 2.23 2.19 0.00 66 Q 8.35 4.11 0.00 1.55 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 67 Y 7.55 4.93 0.00 3.01 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 68 S 8.87 4.77 0.00 4.00 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 69 G 7.27 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 0.00 0.00 0.00 0.00 70 I 7.94 5.15 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 1.11 0.72 0.90 0.00 0.00 71 V 8.92 4.33 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 1.02 0.00 0.00 0.89 0.00 0.00 72 L 8.72 5.04 0.00 1.80 1.48 0.99 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.36 5.18 0.00 2.70 2.96 0.00 0.00 6.80 7.22 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 74 P 0.00 4.59 0.00 2.19 2.22 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 75 G 8.49 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 76 A 8.58 4.23 1.55 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 0.00 0.00 77 L 7.53 3.19 0.00 1.76 1.45 0.83 0.24 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 78 S 7.92 3.95 0.00 3.91 3.45 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 79 H 8.22 4.81 0.00 3.51 3.64 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.12 4.64 0.00 2.92 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 81 S 7.80 4.18 0.00 3.45 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 82 Y 8.10 4.28 0.00 3.17 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 83 A 7.97 4.10 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 84 I 7.65 3.74 1.81 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 1.39 0.50 0.89 0.00 0.00 85 R 7.78 3.87 0.00 2.00 2.23 0.00 3.43 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 86 D 8.39 4.47 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 87 A 7.77 4.08 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 88 V 7.80 3.72 2.25 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 1.05 0.00 0.00 1.00 0.00 0.00 89 S 7.86 4.23 0.00 4.06 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 90 S 7.65 4.56 0.00 4.01 4.16 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 0.00 0.00 0.00 91 I 7.23 4.82 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.57 1.01 0.00 0.00 92 S 9.53 4.58 0.00 3.97 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 93 L 7.89 4.38 0.00 1.62 1.74 1.12 1.14 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 94 P 0.00 4.53 0.00 2.21 2.26 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 95 V 8.52 4.84 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 0.98 0.00 0.00 1.02 0.00 0.00 96 V 8.38 4.71 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 0.78 0.00 0.00 0.95 0.00 0.00 97 E 8.69 4.72 0.00 2.11 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 2.25 2.21 0.00 98 V 8.74 4.85 1.73 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 0.38 0.00 0.00 0.82 0.00 0.00 99 H 8.71 4.77 0.00 2.99 3.05 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.75 4.01 0.00 1.76 1.74 0.97 1.02 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 0.00 101 S 7.71 4.31 0.00 3.56 3.20 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 0.00 102 N 8.05 4.45 0.00 2.67 2.67 0.00 0.00 6.86 6.66 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 0.00 103 L 7.90 3.72 0.00 0.95 1.43 0.61 0.69 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 0.00 104 Y 6.72 3.76 0.00 2.98 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 0.00 105 A 7.69 4.50 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 0.00 106 R 7.42 4.77 0.00 1.72 1.71 0.00 2.94 0.00 0.00 3.00 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 107 E 8.44 3.94 0.00 1.45 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 2.53 2.37 0.00 108 E 8.78 3.28 0.00 1.90 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 2.31 2.20 0.00 109 F 7.93 4.24 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 6.86 3.38 0.00 1.53 1.63 0.00 2.83 0.00 0.00 3.03 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 111 H 7.94 4.74 0.00 3.19 3.49 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.76 4.64 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 113 S 8.68 4.92 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.42 4.12 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 0.48 0.00 0.00 0.59 0.00 0.00 115 I 7.52 4.07 2.00 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 1.31 0.83 0.91 0.00 0.00 116 A 8.16 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.33 0.00 2.10 2.17 0.00 3.85 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 2.09 2.15 0.00 118 V 7.76 4.14 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 0.71 0.00 0.00 1.03 0.00 0.00 119 A 7.38 4.48 1.27 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 0.00 0.00 120 K 8.77 4.11 0.00 1.85 1.87 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.72 7.81 121 G 7.40 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 0.00 122 Q 8.55 5.11 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.57 0.00 123 I 8.63 4.59 1.77 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 1.04 0.79 0.85 0.00 0.00 124 V 8.41 4.75 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 0.53 0.00 0.00 0.90 0.00 0.00 125 G 8.86 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 0.00 126 L 7.69 4.41 0.00 1.60 1.65 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.96 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.51 4.18 1.42 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 0.00 0.00 0.00 129 E 8.55 3.97 0.00 2.07 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 0.00 2.36 2.43 0.00 130 G 8.24 3.64 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 0.00 0.00 0.00 131 Y 7.89 4.15 0.00 3.19 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 0.00 132 K 7.82 3.74 0.00 1.84 1.43 0.00 1.54 0.00 0.00 1.13 0.00 0.00 2.63 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 1.13 7.81 133 L 8.21 3.99 0.00 1.65 1.72 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.15 4.06 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 0.00 135 V 8.22 3.37 2.45 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 1.30 0.00 0.00 1.02 0.00 0.00 136 R 8.39 4.03 0.00 2.15 2.06 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.06 0.00 137 Y 7.82 4.11 0.00 2.98 3.18 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 0.00 138 L 7.85 3.83 0.00 1.60 0.90 0.96 0.39 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 0.00 139 L 7.75 4.20 0.00 1.83 1.80 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.41 4.25 0.00 3.98 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.00 4.10 0.00 1.58 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.58 0.00 0.00 0.00 0.00 0.00 1.86 1.35 0.00 * Residues marked with a * may have inaccurate shift predictions.