NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1557 8.2649 123.5833 51.8619 20.5628 177.1220 *2 I 4.0384 7.4924 114.4121 61.3966 38.1910 175.6219 3 V 3.9209 8.8640 126.0426 65.3169 32.2722 175.9011 4 G 4.6742 7.4837 104.2852 46.3139 0.0000 172.1138 5 L 5.2507 8.2056 121.5084 53.1798 45.7963 175.2499 6 G 4.4109 9.2714 112.1946 44.9674 0.0000 171.1815 7 T 5.2695 8.2458 115.6469 60.6636 71.0242 172.1996 8 D 4.7409 8.7076 123.5535 53.1969 45.2299 173.7269 9 I 4.9868 8.4530 123.9094 59.1625 41.0449 174.1799 10 A 4.9204 9.4414 130.0649 50.0647 22.1588 174.7390 11 E 4.5478 8.8811 123.0449 55.4542 30.5324 177.3793 12 I 3.7588 8.6508 128.7182 64.3883 37.0464 178.0359 13 E 4.0620 8.0676 119.7543 59.3650 29.4274 178.9675 14 R 3.8254 7.6516 117.4023 59.0723 30.0826 179.2135 15 V 3.5167 7.6137 117.5764 65.9636 31.6629 177.7036 16 E 3.9994 8.2760 118.3418 59.4643 29.1936 179.5350 17 K 3.9124 8.2982 118.4551 59.3387 32.0481 179.2654 18 A 3.6490 7.7503 121.0267 54.9657 18.1367 179.7099 19 L 4.0707 8.0151 117.3032 57.9332 41.5115 179.6301 20 A 4.0671 8.0001 119.5578 54.4082 18.2657 179.3033 21 R 4.2313 7.3953 115.5499 58.2276 31.0932 178.2172 22 S 4.7121 8.4361 112.5082 56.1830 64.6694 176.0727 23 G 3.9837 8.7272 111.5944 46.0542 0.0000 176.0813 24 E 4.0315 9.0329 124.2352 59.0819 28.9956 177.6228 25 N 4.3772 7.8444 116.0199 56.0939 38.9540 176.9287 26 F 4.3847 8.2256 121.3392 61.2899 39.6302 176.9251 27 A 3.4779 8.1205 120.4820 55.1682 17.8881 179.7955 28 R 3.8352 8.0363 115.2750 58.8509 30.1222 179.1160 29 R 4.0383 7.5030 117.3579 58.4529 30.0398 178.0055 30 I 3.7346 7.1124 117.7488 61.0617 38.4745 175.7925 31 L 4.8809 7.2506 118.6502 52.9554 43.7022 177.0970 32 T 4.0682 8.6534 112.9713 61.3691 70.7160 175.4918 33 D 4.3754 8.5127 121.6736 57.6968 40.5238 178.9385 34 S 4.2528 7.9515 113.1039 61.4853 62.5615 175.9163 35 E 4.1983 8.2345 120.7670 59.0003 29.1105 179.1596 36 L 4.0507 8.0257 119.3298 57.4507 41.3996 179.3472 37 E 3.9912 7.8852 117.9822 59.5825 29.2330 179.3132 38 Q 3.9946 8.0231 116.1204 58.7658 29.1613 178.0157 39 F 2.8442 7.9070 121.5975 61.4254 39.1465 177.0122 40 H 3.9738 8.1749 114.2776 58.5740 28.5316 177.2934 41 A 4.0428 7.4634 121.0613 53.1727 18.6508 177.8425 42 S 4.1610 6.8808 112.0895 58.2388 62.9399 173.8706 43 K 4.4162 8.4368 123.9938 56.4099 32.9545 176.9812 44 Q 4.6178 8.0489 117.5088 54.0348 29.4113 176.1187 45 Q 4.0250 7.9376 120.1006 58.7593 29.2037 178.8163 46 G 3.7593 8.1561 106.4034 48.0073 0.0000 175.8435 47 R 3.9823 8.0192 120.2593 58.7132 30.3075 178.4866 48 F 4.0338 8.5686 120.7382 61.5436 39.3118 177.0707 49 L 4.1916 8.8584 119.9315 58.0393 41.9056 178.5818 50 A 4.0789 8.4108 121.0175 55.2289 18.3155 179.7796 51 K 3.9746 8.0961 116.8634 59.6857 32.0349 179.8737 52 R 3.8793 7.8550 117.9154 59.0029 29.9272 178.7805 53 F 3.9506 8.6452 120.6649 61.2374 39.3156 177.0360 54 A 4.3960 8.6171 121.3989 54.6363 18.2115 179.3190 55 A 3.8688 8.0606 119.2631 55.4383 18.4209 180.1121 56 K 3.5526 8.1955 117.0199 59.2540 32.1258 179.5602 57 E 3.5825 8.0869 118.7458 59.1915 29.3769 179.0763 58 A 3.8605 8.1076 120.8664 55.2019 18.3943 179.5571 59 A 3.8029 7.6787 119.3649 55.1840 18.2351 180.0610 60 S 4.1119 7.4809 112.7344 61.3306 62.9371 176.9318 61 K 3.9293 7.9129 122.0605 59.0906 31.8158 179.1658 62 A 4.2441 8.0214 122.4112 54.3708 18.0065 179.3510 63 L 4.0762 7.6465 118.3839 56.4224 42.2304 177.8891 64 G 4.0419 7.9115 105.7741 45.2107 0.0000 173.6599 65 T 4.2879 7.6272 108.7003 60.0870 70.9791 175.7455 66 G 3.8480 7.7989 110.5558 45.9014 0.0000 173.6732 67 I 3.9614 7.7721 118.0089 59.1794 35.8150 174.4908 68 A 4.1650 8.4170 126.2297 52.2812 22.6207 176.0630 69 Q 3.5295 9.7646 114.9727 57.2544 26.0824 175.7502 70 G 3.8866 8.4538 105.1082 45.3648 0.0000 174.3392 71 V 4.0201 7.6977 121.3575 62.0879 32.2698 175.0585 72 T 4.6793 8.5377 116.4501 59.1777 71.6687 174.9177 73 F 4.3152 8.5640 119.7100 61.0969 38.9180 177.2163 74 H 4.6373 7.8608 115.7361 57.4880 28.2599 175.6110 75 D 4.5142 7.9427 118.7883 53.7191 40.9300 175.3878 76 F 5.2551 7.7978 118.5185 55.8338 41.9807 174.6644 77 T 4.8425 9.0713 120.0675 61.8166 71.6949 172.8642 78 I 4.9664 9.0198 127.7963 59.9666 39.0615 175.1808 79 S 4.9368 8.7568 121.3878 57.2824 66.6399 172.1875 80 H 5.4566 8.5905 114.6439 54.6281 32.9424 173.5782 81 D 4.7130 8.8833 121.6863 51.8717 40.8264 177.1305 82 K 3.8981 8.5905 119.5568 59.1836 31.9719 177.0619 83 L 4.2922 7.9972 116.0082 54.6782 42.0892 177.1451 84 G 4.0297 8.1443 107.0749 44.4212 0.0000 173.7881 85 K 4.2496 8.4724 123.0139 55.6460 33.1175 174.4299 86 P 4.7571 0.0000 0.0000 62.7228 32.4774 175.4805 87 L 4.8801 8.9061 121.6886 52.8282 45.6669 175.0508 88 L 5.1586 8.5281 123.6212 53.3528 44.6001 175.4048 89 I 4.6393 8.7013 126.4274 59.5585 40.4258 174.8570 90 L 4.9978 8.5603 126.4721 54.0763 43.2824 175.6649 91 S 4.2821 8.6125 115.0715 57.7572 66.8742 174.4936 92 G 3.9904 8.7145 107.3931 45.5507 0.0000 175.7079 93 Q 3.9128 8.6018 118.6787 58.7736 29.0012 178.1138 94 A 3.8432 7.9403 121.4046 55.1717 18.2986 179.2952 95 A 3.8832 7.7043 119.1162 55.2413 18.3995 179.7604 96 E 3.8699 8.0077 116.6379 59.4687 29.5531 179.5552 97 L 3.9402 8.1360 118.9548 57.7904 41.6435 179.3701 98 A 4.0113 8.1422 120.7279 55.3045 18.2813 179.8566 99 S 4.0467 8.3034 113.7267 61.9579 62.7058 176.9873 100 Q 4.0473 7.9058 119.4951 58.6008 28.5253 178.0279 101 L 4.2597 7.8103 117.3126 54.2054 42.1359 176.6895 102 Q 3.5376 8.1747 117.6499 56.5414 26.7366 173.5573 103 V 3.8717 7.9757 118.3350 63.2575 31.8041 175.0967 104 E 4.7435 9.1901 124.4266 56.2115 31.7801 175.9203 105 N 5.0733 7.9988 117.0888 51.5662 43.2527 173.2973 106 I 4.9351 8.2562 122.7573 59.8160 40.6140 174.5048 107 H 5.0220 9.0954 123.1228 53.8839 32.4808 172.3972 108 L 5.2009 8.5009 123.1784 53.4962 45.3147 175.1953 109 S 4.8414 9.1408 119.3118 56.6592 66.2640 172.5250 110 I 5.0651 8.2838 124.4844 59.7499 40.3629 174.7622 111 S 4.7017 8.4886 118.5252 56.7992 65.5749 172.3878 112 D 5.0370 8.3894 123.9682 51.7734 42.4159 174.4075 113 E 4.7383 8.7420 117.6626 54.9651 32.5484 174.7286 114 R 3.9891 8.9021 116.5104 59.8913 30.1133 177.2601 115 H 4.5782 8.5219 112.1886 55.6876 30.6741 173.5667 116 Y 5.3746 7.8322 116.0211 56.0933 42.1666 174.5607 117 A 5.4226 9.2396 124.0362 49.2681 22.9320 174.9711 *119 A 4.5300 8.2080 119.0356 52.4486 20.4645 175.9952 120 T 5.1060 8.6101 115.4719 61.7502 72.8753 173.3773 121 V 4.9270 8.9439 124.6704 61.1773 35.4003 174.1614 122 I 5.0301 8.7478 127.1388 59.5437 40.8505 174.1815 123 L 5.2109 8.8756 126.7671 53.1492 44.1564 175.3925 124 E 4.9618 9.0727 122.2219 54.4442 33.6118 176.5293 125 R 4.6542 8.4785 120.0801 55.9671 30.3119 176.5046 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 0 A 8.26 4.16 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 *2 I 7.49 4.04 1.87 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 1.30 0.59 nan 0.00 0.00 3 V 8.86 3.92 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 0.72 0.00 0.00 0.96 0.00 0.00 4 G 7.48 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.21 5.25 0.00 1.71 1.44 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.27 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 0.00 0.00 0.00 0.00 7 T 8.25 5.27 4.22 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 0.00 0.00 1.19 0.00 0.00 8 D 8.71 4.74 0.00 2.77 2.56 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 0.00 0.00 0.00 0.00 9 I 8.45 4.99 1.86 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.26 0.90 0.00 0.00 10 A 9.44 4.92 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 11 E 8.88 4.55 0.00 2.18 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 12 I 8.65 3.76 1.80 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 1.43 0.63 0.91 0.00 0.00 13 E 8.07 4.06 0.00 1.98 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 2.37 0.00 14 R 7.65 3.83 0.00 2.00 1.87 0.00 3.24 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 15 V 7.61 3.52 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 1.27 0.00 0.00 0.82 0.00 0.00 16 E 8.28 4.00 0.00 2.19 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 2.36 2.49 0.00 17 K 8.30 3.91 0.00 1.83 1.77 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.59 7.81 18 A 7.75 3.65 0.28 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 19 L 8.02 4.07 0.00 1.94 1.85 1.20 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.00 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 4.23 0.00 1.66 1.93 0.00 3.03 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 22 S 8.44 4.71 0.00 3.89 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 23 G 8.73 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.03 4.03 0.00 2.20 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 2.44 2.52 0.00 25 N 7.84 4.38 0.00 2.93 2.93 0.00 0.00 6.98 7.82 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 26 F 8.23 4.38 0.00 3.06 3.24 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 27 A 8.12 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.04 3.84 0.00 1.83 2.01 0.00 3.19 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 29 R 7.50 4.04 0.00 1.74 1.93 0.00 3.23 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 30 I 7.11 3.73 1.55 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.13 0.63 0.00 0.00 31 L 7.25 4.88 0.00 1.45 1.53 0.54 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.65 4.07 4.21 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 0.00 0.00 0.00 1.24 0.00 0.00 33 D 8.51 4.38 0.00 2.63 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 34 S 7.95 4.25 0.00 3.89 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 35 E 8.23 4.20 0.00 2.27 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 0.00 2.42 2.40 0.00 36 L 8.03 4.05 0.00 1.91 1.64 0.96 0.67 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 37 E 7.89 3.99 0.00 2.07 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 2.36 2.38 0.00 38 Q 8.02 3.99 0.00 2.42 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 39 F 7.91 2.84 0.00 2.76 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 40 H 8.17 3.97 0.00 3.22 3.25 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.46 4.04 1.28 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 42 S 6.88 4.16 0.00 3.59 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.42 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.39 7.81 44 Q 8.05 4.62 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 45 Q 7.94 4.03 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 1.67 2.17 0.00 46 G 8.16 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 47 R 8.02 3.98 0.00 2.06 2.04 0.00 3.15 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 1.74 1.72 0.00 48 F 8.57 4.03 0.00 3.31 3.37 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 49 L 8.86 4.19 0.00 2.15 1.92 0.73 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.41 4.08 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 51 K 8.10 3.97 0.00 1.90 1.81 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.61 7.81 52 R 7.86 3.88 0.00 2.00 1.97 0.00 3.23 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 53 F 8.65 3.95 0.00 3.14 3.24 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 54 A 8.62 4.40 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.87 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 56 K 8.20 3.55 0.00 1.90 1.86 0.00 1.87 0.00 0.00 2.18 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.69 7.81 57 E 8.09 3.58 0.00 1.92 1.82 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 2.00 1.79 0.00 58 A 8.11 3.86 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 59 A 7.68 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.48 4.11 0.00 4.07 3.78 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 61 K 7.91 3.93 0.00 1.91 1.84 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.53 7.81 62 A 8.02 4.24 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 63 L 7.65 4.08 0.00 1.89 1.93 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.91 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 0.00 0.00 0.00 65 T 7.63 4.29 4.23 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 1.21 0.00 0.00 66 G 7.80 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 67 I 7.77 3.96 1.65 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 0.92 -0.04 0.65 0.00 0.00 68 A 8.42 4.17 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 69 Q 9.76 3.53 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 70 G 8.45 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 71 V 7.70 4.02 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 1.03 0.00 0.00 0.90 0.00 0.00 72 T 8.54 4.68 4.23 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 1.19 0.00 0.00 73 F 8.56 4.32 0.00 3.28 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 74 H 7.86 4.64 0.00 3.12 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.94 4.51 0.00 2.13 2.26 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 76 F 7.80 5.26 0.00 2.86 2.91 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 77 T 9.07 4.84 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 1.24 0.00 0.00 78 I 9.02 4.97 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.41 0.79 0.00 0.00 79 S 8.76 4.94 0.00 3.86 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.59 5.46 0.00 2.99 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.88 4.71 0.00 2.91 2.84 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 82 K 8.59 3.90 0.00 1.75 1.91 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.49 7.81 83 L 8.00 4.29 0.00 1.80 1.70 0.93 0.99 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 84 G 8.14 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 85 K 8.47 4.25 0.00 1.89 1.99 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 86 P 0.00 4.76 0.00 2.05 1.99 0.00 3.77 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 2.16 2.00 0.00 87 L 8.91 4.88 0.00 1.50 1.53 0.92 0.39 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 88 L 8.53 5.16 0.00 1.59 1.52 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.70 4.64 1.88 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 1.23 0.62 0.90 0.00 0.00 90 L 8.56 5.00 0.00 1.46 1.44 0.94 1.00 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 91 S 8.61 4.28 0.00 3.77 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 92 G 8.71 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 0.00 0.00 0.00 93 Q 8.60 3.91 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 94 A 7.94 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.70 3.88 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 96 E 8.01 3.87 0.00 2.11 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 2.51 2.46 0.00 97 L 8.14 3.94 0.00 1.96 1.70 0.90 0.88 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 98 A 8.14 4.01 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 99 S 8.30 4.05 0.00 4.03 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 0.00 100 Q 7.91 4.05 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 101 L 7.81 4.26 0.00 1.76 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.17 3.54 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 103 V 7.98 3.87 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 0.77 0.00 0.00 0.93 0.00 0.00 104 E 9.19 4.74 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 2.21 2.24 0.00 105 N 8.00 5.07 0.00 2.69 2.63 0.00 0.00 6.92 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 0.00 106 I 8.26 4.94 1.83 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 1.34 0.58 0.91 0.00 0.00 107 H 9.10 5.02 0.00 3.05 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.50 5.20 0.00 1.55 1.46 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.14 4.84 0.00 3.89 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.28 5.07 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.91 0.00 0.00 111 S 8.49 4.70 0.00 3.80 3.65 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 0.00 112 D 8.39 5.04 0.00 2.94 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 0.00 113 E 8.74 4.74 0.00 2.04 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 2.29 2.42 0.00 114 R 8.90 3.99 0.00 1.75 1.77 0.00 3.07 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 115 H 8.52 4.58 0.00 2.81 2.53 0.00 5.56 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 0.00 116 Y 7.83 5.37 0.00 2.99 2.80 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 0.00 0.00 0.00 117 A 9.24 5.42 1.30 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 0.00 0.00 *119 A 8.21 4.53 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.61 5.11 4.23 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 1.20 0.00 0.00 121 V 8.94 4.93 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 1.11 0.00 0.00 0.87 0.00 0.00 122 I 8.75 5.03 1.91 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 1.22 0.90 0.93 0.00 0.00 123 L 8.88 5.21 0.00 1.58 1.57 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.07 4.96 0.00 2.01 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 2.22 2.27 0.00 125 R 8.48 4.65 0.00 1.80 1.84 0.00 3.29 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.