NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2732 8.1593 117.3740 63.2906 68.9424 173.4662 2 S 4.2872 8.3411 121.7877 56.3139 64.5900 173.0635 3 K 4.0662 9.4123 121.9552 59.6075 33.3079 179.8604 4 K 3.8701 8.2799 117.9549 59.4795 32.1799 178.8826 5 K 3.9202 7.5454 117.8124 59.4961 30.9323 177.8484 6 R 4.1856 7.9156 116.2514 57.5844 30.3875 178.2729 7 Q 3.9205 7.8874 117.6315 57.8716 28.9267 176.4830 8 R 4.1131 7.1108 118.3770 57.3923 30.2385 177.0100 9 G 4.0264 9.0718 112.0445 45.2042 0.0000 174.2075 10 S 4.1388 7.4793 113.0608 58.7270 63.0216 173.4699 11 R 4.1011 7.6509 123.6540 57.1589 29.7678 176.9091 12 T 3.9483 7.5694 107.5071 63.0757 69.3214 174.3385 13 H 3.7599 8.5191 116.8812 56.9903 26.4644 175.5535 14 G 3.9525 8.7621 104.4375 45.8270 0.0000 174.7284 15 G 4.1824 7.3828 105.8766 44.7819 0.0000 175.6358 16 G 3.6942 7.8725 112.2998 46.5317 0.0000 175.8333 17 S 4.3745 8.4169 119.1089 57.4443 62.8635 174.4383 18 H 4.1701 8.8542 122.1134 58.1279 28.1424 176.1748 19 K 4.0557 7.2704 116.8816 57.5252 32.0645 177.7943 20 N 4.3856 8.2161 117.5575 56.0893 38.9693 177.4046 21 R 4.3288 7.5212 118.2850 55.4549 28.6714 176.8742 22 R 4.7928 7.4468 123.2456 54.8442 32.7255 176.0264 23 G 3.9667 8.4217 107.2298 45.5670 0.0000 173.4306 24 A 4.4824 8.5482 123.1410 53.2019 17.3273 179.7869 25 G 3.6772 7.9288 106.1668 47.8969 0.0000 175.4801 26 H 4.3785 8.0216 119.0551 58.1299 29.9153 176.4975 27 R 4.3263 7.4038 118.8211 55.4054 32.1988 176.4090 28 G 3.7276 8.0834 106.0205 45.7097 0.0000 174.1537 29 G 4.0174 7.7653 101.9544 45.4315 0.0000 172.2470 30 R 4.0814 8.3781 120.7079 56.6930 31.7163 175.8599 31 G 4.0068 8.2884 114.8315 47.3627 0.0000 174.1187 32 D 4.6230 8.7635 125.2990 53.4904 40.9788 175.4434 33 A 3.9326 7.2381 121.1731 53.6328 18.8356 177.7379 34 G 3.8903 8.8782 108.2468 46.5029 0.0000 175.9169 35 R 3.7783 7.5374 117.4256 57.3419 29.5562 177.2732 36 D 4.9405 7.9066 115.8485 52.8557 42.5002 176.6917 37 K 4.0708 8.3057 119.0821 57.8404 30.7458 177.3607 38 H 4.5421 9.4926 120.6022 58.7155 30.0454 176.8382 39 E 4.5898 7.6492 118.7953 55.6797 29.8528 177.9380 40 F 5.1715 8.0996 116.1456 59.1016 38.0541 174.9736 41 H 3.9259 6.4997 117.8515 57.0888 28.7087 175.0185 42 N 4.2501 8.8217 118.9389 54.0487 36.1910 173.3073 43 H 4.8484 7.7574 115.3372 53.6599 30.4167 174.8946 44 E 4.1646 8.6613 124.0010 55.2319 30.0258 175.0650 45 P 4.2948 0.0000 0.0000 63.0627 31.5780 176.3519 46 L 4.0309 8.2481 121.3463 55.4246 42.1554 175.5063 47 G 3.9368 8.1763 106.2874 43.9035 0.0000 173.0859 48 K 4.5103 8.1870 118.5231 54.7579 33.9514 176.8802 49 S 4.3603 8.0494 115.2960 57.4930 64.7318 174.6504 50 G 3.9681 9.5868 119.4813 45.8665 0.0000 170.8798 51 F 4.9702 8.3966 116.9520 55.8912 40.7764 173.6489 52 K 4.2551 8.2003 119.1614 54.4326 35.5125 176.7581 53 R 4.3068 8.1923 122.1308 54.5209 31.0498 174.5332 54 P 4.2178 0.0000 0.0000 63.2504 31.7697 176.4604 55 Q 4.0413 8.9576 120.5425 59.4066 28.7410 179.7828 56 K 4.0555 7.9432 115.0787 59.1504 32.7563 177.6130 57 V 3.9982 7.2792 117.7884 63.0447 31.7794 175.6424 58 Q 4.1406 7.8059 118.7656 56.2780 29.1288 175.6504 59 E 4.3595 8.5280 122.4446 54.6778 29.6464 174.6584 60 E 4.2788 8.4611 125.7692 55.2403 30.6815 174.7023 61 A 4.6771 8.3538 128.4481 49.9986 21.6929 175.1607 62 A 4.6811 8.1266 122.5692 50.5036 21.0941 176.3918 63 T 5.4700 8.2764 111.4163 59.0783 72.0757 173.1693 64 I 4.6456 7.8530 121.5756 59.7467 41.8381 173.7988 65 D 5.1065 8.6452 127.6858 53.7048 41.9097 178.1256 66 V 3.6845 8.2386 115.7499 64.0553 31.3848 179.2677 67 R 3.8233 7.4680 118.8857 59.5065 29.8602 178.1338 68 E 4.1606 8.0883 116.9840 59.0013 29.9833 178.5444 69 I 3.8412 7.4862 120.3270 64.2438 37.3030 177.5798 70 D 4.2601 8.2020 118.7232 57.6106 40.9400 178.2354 71 E 4.1193 8.5495 117.4763 58.4211 29.6128 177.5793 72 N 4.9861 7.6913 114.6887 52.8820 39.6759 176.6536 73 V 3.4168 7.7723 114.5717 64.7471 31.6931 177.9165 74 T 4.0240 7.8103 108.0619 64.8041 68.5214 175.5176 75 L 4.0432 7.8392 121.1158 56.7202 42.6704 178.0087 76 L 4.3560 7.6170 120.9878 53.6194 40.2870 177.8544 77 A 4.0279 7.7038 121.7006 54.9686 19.0828 178.6556 78 A 4.3243 7.9571 116.1609 52.7223 18.6643 176.3351 79 D 4.8173 7.2943 116.6331 54.2155 43.4806 176.3804 80 D 4.1687 7.3436 121.5341 49.9692 40.7582 175.2343 81 V 4.6127 7.9592 120.8988 61.6992 34.7820 174.8276 82 A 4.3471 7.9438 124.8650 51.8400 21.6208 175.9032 83 E 3.6889 8.9451 113.3948 59.2995 29.8193 176.7722 *89 F 4.5601 7.7412 117.4972 57.6553 41.1484 173.8058 90 R 5.2668 8.5898 119.7836 55.2430 33.0414 174.6236 91 V 4.5123 9.0697 125.6654 60.4102 35.5549 173.3352 92 D 4.9637 8.7862 124.2948 52.9805 41.3392 176.5989 93 V 3.5962 8.8955 128.3183 66.0915 31.6080 178.1275 94 R 3.8852 8.2225 116.6931 58.2198 29.9530 176.4608 95 D 4.8971 8.1171 116.3341 53.9400 41.7489 176.2859 96 V 4.1111 8.5483 119.8411 64.2132 33.0382 176.4870 97 V 3.7008 7.5707 118.6407 62.3299 31.5410 175.4437 98 E 4.0854 8.5498 126.3724 57.4158 30.0914 177.1744 99 E 3.9404 8.8212 116.7158 57.2223 26.9264 175.5514 100 A 4.4387 7.5274 119.7341 52.7166 17.4710 178.0016 101 D 4.7289 7.2951 117.0998 56.9349 42.8993 178.0486 102 D 4.4298 7.9327 119.8973 54.7925 38.5023 176.0272 103 A 4.6179 7.4850 124.4105 50.7171 20.2714 177.5845 104 D 4.8869 8.3637 123.3021 57.8719 41.6197 176.6241 105 Y 4.7277 7.1088 111.5224 56.2045 41.7838 173.7175 106 V 4.5352 8.4408 120.7455 61.9413 33.7212 174.6888 107 K 4.8294 8.7810 127.2353 54.7096 35.9666 174.6757 108 V 4.6556 8.3594 126.8375 61.3992 33.5111 174.3064 109 L 4.7352 8.7871 127.8630 53.0348 44.4593 176.2614 110 G 4.0127 8.7659 110.5732 45.3008 0.0000 172.3524 111 A 4.5122 8.4197 128.2895 51.3875 22.3905 174.0020 112 G 4.0034 9.1157 108.7040 44.2539 0.0000 172.2663 113 Q 4.6043 8.3557 119.2446 53.9744 32.1535 175.3463 114 V 4.2824 8.0655 118.4305 61.6762 32.3991 174.6753 115 R 4.4350 8.8087 125.7005 56.0699 29.9378 176.0933 116 H 4.9757 7.6080 114.0621 54.1913 32.8302 172.5198 117 E 4.3891 8.8591 119.6756 56.1333 30.2956 175.8124 118 L 4.7934 8.6574 124.4546 53.2307 44.9694 175.8446 119 T 4.7094 8.5810 120.3885 61.9807 69.1249 172.0975 120 L 4.9963 8.7658 125.9418 53.5302 43.9864 175.4694 121 I 5.2147 9.2176 124.2786 58.9688 39.8475 174.6118 122 A 4.8410 8.5872 127.6571 50.9356 22.5457 175.5108 123 D 4.4988 8.1342 115.8535 56.3960 41.6234 177.0403 124 D 4.6236 7.1439 114.8571 53.6641 44.3569 174.4742 125 F 5.5006 9.3275 121.4267 54.8307 43.6091 174.1627 126 S 4.7299 8.4306 114.8399 57.4507 65.7775 174.6311 127 E 4.1249 8.8878 118.1290 59.7006 29.3597 179.5110 128 G 3.6586 8.1346 105.0888 47.6926 0.0000 175.0632 129 A 4.0721 8.1990 123.1343 55.1326 18.4535 179.4006 130 R 3.8105 7.9396 115.5156 59.6728 30.3148 178.7111 131 E 3.9376 8.2212 117.5901 59.9378 28.0688 179.8025 132 K 3.9219 7.9848 117.6245 59.6056 32.0061 179.5509 133 V 3.9208 7.6178 118.4702 65.8224 31.4438 177.9210 134 E 4.8272 7.8770 119.3446 58.1657 29.0920 178.9423 135 G 3.7608 8.0382 104.4855 46.0026 0.0000 174.0736 136 A 4.4785 7.1678 121.5441 51.5478 19.5562 176.5819 137 G 3.6924 7.8299 103.8442 47.1208 0.0000 173.4656 138 G 4.4273 8.3207 105.3122 43.9809 0.0000 172.8877 139 S 5.1058 9.0768 114.3787 56.2085 66.4303 173.1744 140 V 4.2944 8.1873 121.1827 61.1618 33.1469 174.3690 141 E 4.6191 9.0611 128.3139 54.3630 31.9982 174.9687 142 L 4.6770 8.5271 127.5000 54.6486 43.1943 176.6116 143 T 4.2626 8.8446 123.1417 63.4476 69.6587 175.2429 144 D 4.4574 8.7428 121.7225 56.9438 40.5459 178.6323 145 L 4.1912 7.9081 120.1653 57.3947 42.1810 177.9162 146 G 3.8702 7.8857 103.9219 44.9982 0.0000 173.3646 147 E 4.9986 7.7138 119.8781 57.2816 29.7080 176.9057 148 E 4.6429 7.9569 114.6191 56.2017 31.0851 178.0578 149 R 4.2383 7.2879 120.1398 53.1499 28.4010 176.4624 150 Q 4.3166 7.9034 121.6856 56.8107 29.3715 173.1153 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 T 8.16 4.27 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 1.21 0.00 0.00 2 S 8.34 4.29 0.00 4.06 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 3 K 9.41 4.07 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.45 7.81 4 K 8.28 3.87 0.00 1.86 1.88 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.46 7.81 5 K 7.55 3.92 0.00 1.81 1.99 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 6 R 7.92 4.19 0.00 2.06 1.93 0.00 3.17 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 7 Q 7.89 3.92 0.00 2.02 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 8 R 7.11 4.11 0.00 1.92 1.88 0.00 3.31 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 9 G 9.07 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 0.00 0.00 0.00 10 S 7.48 4.14 0.00 3.94 3.95 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 11 R 7.65 4.10 0.00 1.99 2.05 0.00 3.23 0.00 0.00 3.28 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.57 3.95 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 1.31 0.00 0.00 13 H 8.52 3.76 0.00 3.35 3.45 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.76 3.95 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 0.00 0.00 0.00 15 G 7.38 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 0.00 0.00 0.00 0.00 16 G 7.87 3.69 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 17 S 8.42 4.37 0.00 3.86 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 18 H 8.85 4.17 0.00 3.29 3.43 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.27 4.06 0.00 1.72 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.24 1.19 7.81 20 N 8.22 4.39 0.00 2.85 2.66 0.00 0.00 6.96 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 21 R 7.52 4.33 0.00 1.78 1.89 0.00 3.15 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 22 R 7.45 4.79 0.00 1.74 1.72 0.00 3.32 0.00 0.00 3.21 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 23 G 8.42 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 24 A 8.55 4.48 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.93 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.02 4.38 0.00 3.13 3.53 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.40 4.33 0.00 2.11 1.94 0.00 3.20 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 28 G 8.08 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 29 G 7.77 4.02 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 0.00 0.00 0.00 30 R 8.38 4.08 0.00 1.91 1.82 0.00 3.33 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.29 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 0.00 0.00 0.00 32 D 8.76 4.62 0.00 2.73 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 33 A 7.24 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.88 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 35 R 7.54 3.78 0.00 1.88 2.22 0.00 2.76 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 36 D 7.91 4.94 0.00 2.75 2.78 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 0.00 0.00 0.00 37 K 8.31 4.07 0.00 1.81 1.76 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.41 7.81 38 H 9.49 4.54 0.00 3.32 3.47 0.00 5.51 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.65 4.59 0.00 2.04 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 2.26 2.19 0.00 40 F 8.10 5.17 0.00 3.19 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 41 H 6.50 3.93 0.00 3.02 3.06 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.82 4.25 0.00 2.82 2.89 0.00 0.00 6.94 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 43 H 7.76 4.85 0.00 3.38 3.26 0.00 5.86 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 44 E 8.66 4.16 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.29 0.00 2.18 2.10 0.00 3.79 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 2.01 2.03 0.00 46 L 8.25 4.03 0.00 1.66 1.65 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.18 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 48 K 8.19 4.51 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 49 S 8.05 4.36 0.00 3.77 3.72 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 50 G 9.59 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 51 F 8.40 4.97 0.00 3.12 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 52 K 8.20 4.26 0.00 1.66 1.59 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.39 7.81 53 R 8.19 4.31 0.00 1.74 1.87 0.00 3.34 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.49 0.00 54 P 0.00 4.22 0.00 2.22 2.24 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 55 Q 8.96 4.04 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 56 K 7.94 4.06 0.00 1.86 1.95 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 57 V 7.28 4.00 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 0.81 0.00 0.00 0.95 0.00 0.00 58 Q 7.81 4.14 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 59 E 8.53 4.36 0.00 2.00 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 2.30 0.00 60 E 8.46 4.28 0.00 2.00 1.77 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 2.26 2.24 0.00 61 A 8.35 4.68 0.37 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 62 A 8.13 4.68 1.16 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 0.00 0.00 63 T 8.28 5.47 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 1.14 0.00 0.00 64 I 7.85 4.65 1.83 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 1.32 1.50 0.87 0.00 0.00 65 D 8.65 5.11 0.00 2.74 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 66 V 8.24 3.68 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 0.84 0.00 0.00 1.06 0.00 0.00 67 R 7.47 3.82 0.00 1.85 1.95 0.00 3.09 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 68 E 8.09 4.16 0.00 1.98 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 2.27 2.39 0.00 69 I 7.49 3.84 2.03 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 1.40 1.06 0.91 0.00 0.00 70 D 8.20 4.26 0.00 2.86 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 71 E 8.55 4.12 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 72 N 7.69 4.99 0.00 2.71 2.73 0.00 0.00 6.82 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 73 V 7.77 3.42 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 0.00 0.00 0.46 0.00 0.00 0.49 0.00 0.00 74 T 7.81 4.02 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 1.18 0.00 0.00 75 L 7.84 4.04 0.00 1.64 1.78 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.62 4.36 0.00 1.89 1.63 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.70 4.03 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 78 A 7.96 4.32 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.29 4.82 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 4.17 0.00 2.96 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 81 V 7.96 4.61 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 0.54 0.00 0.00 0.95 0.00 0.00 82 A 7.94 4.35 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 83 E 8.95 3.69 0.00 2.05 2.12 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 2.27 2.36 0.00 *89 F 7.74 4.56 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.59 5.27 0.00 1.79 1.80 0.00 3.27 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 91 V 9.07 4.51 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 0.77 0.00 0.00 1.00 0.00 0.00 92 D 8.79 4.96 0.00 2.86 2.81 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 93 V 8.90 3.60 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 0.85 0.00 0.00 0.96 0.00 0.00 94 R 8.22 3.89 0.00 1.98 1.99 0.00 3.23 0.00 0.00 3.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 95 D 8.12 4.90 0.00 2.77 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 96 V 8.55 4.11 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 0.74 0.00 0.00 0.93 0.00 0.00 97 V 7.57 3.70 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 0.82 0.00 0.00 0.95 0.00 0.00 98 E 8.55 4.09 0.00 2.05 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 2.38 2.32 0.00 99 E 8.82 3.94 0.00 2.16 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 2.25 2.27 0.00 100 A 7.53 4.44 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 0.00 101 D 7.30 4.73 0.00 2.63 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 0.00 102 D 7.93 4.43 0.00 2.76 2.78 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 0.00 0.00 0.00 103 A 7.49 4.62 1.23 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 0.00 0.00 104 D 8.36 4.89 0.00 2.60 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 0.00 105 Y 7.11 4.73 0.00 2.98 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 0.00 106 V 8.44 4.54 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 0.83 0.00 0.00 0.91 0.00 0.00 107 K 8.78 4.83 0.00 1.97 1.54 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.43 7.81 108 V 8.36 4.66 1.79 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 1.01 0.00 0.00 0.64 0.00 0.00 109 L 8.79 4.74 0.00 1.77 1.53 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.77 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 0.00 0.00 0.00 111 A 8.42 4.51 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 9.12 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 0.00 113 Q 8.36 4.60 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 114 V 8.07 4.28 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 0.94 0.00 0.00 0.94 0.00 0.00 115 R 8.81 4.44 0.00 1.74 1.77 0.00 3.15 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 116 H 7.61 4.98 0.00 3.10 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.86 4.39 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 118 L 8.66 4.79 0.00 1.65 1.65 0.95 0.74 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 0.00 119 T 8.58 4.71 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 1.23 0.00 0.00 120 L 8.77 5.00 0.00 1.87 1.89 1.09 0.69 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 0.00 121 I 9.22 5.21 1.94 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 1.18 1.80 1.04 0.00 0.00 122 A 8.59 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.13 4.50 0.00 3.01 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 0.00 124 D 7.14 4.62 0.00 2.66 2.49 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 0.00 125 F 9.33 5.50 0.00 2.83 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 0.00 126 S 8.43 4.73 0.00 3.94 4.07 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 0.00 127 E 8.89 4.12 0.00 2.06 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 0.00 2.42 2.39 0.00 128 G 8.13 3.66 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 0.00 0.00 0.00 129 A 8.20 4.07 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.94 3.81 0.00 1.96 1.96 0.00 3.27 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 131 E 8.22 3.94 0.00 2.03 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 2.34 2.55 0.00 132 K 7.98 3.92 0.00 1.93 1.89 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 133 V 7.62 3.92 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 1.15 0.00 0.00 1.07 0.00 0.00 134 E 7.88 4.83 0.00 2.05 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 2.45 2.24 0.00 135 G 8.04 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 0.00 136 A 7.17 4.48 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 0.00 137 G 7.83 3.69 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 0.00 138 G 8.32 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 0.00 139 S 9.08 5.11 0.00 3.80 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 0.00 140 V 8.19 4.29 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 -0.64 0.00 0.00 0.62 0.00 0.00 141 E 9.06 4.62 0.00 2.05 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 2.20 2.19 0.00 142 L 8.53 4.68 0.00 1.69 1.61 1.21 1.10 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 0.00 143 T 8.84 4.26 4.38 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 1.28 0.00 0.00 144 D 8.74 4.46 0.00 2.69 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 0.00 145 L 7.91 4.19 0.00 1.64 1.80 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.89 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 0.00 147 E 7.71 5.00 0.00 2.08 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 2.43 0.00 148 E 7.96 4.64 0.00 1.83 1.86 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 2.16 2.38 0.00 149 R 7.29 4.24 0.00 1.84 1.89 0.00 3.29 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 150 Q 7.90 4.32 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.