NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.2761 8.1227 122.4597 52.1948 20.7597 175.3721 8 S 4.5302 7.6871 113.7534 56.8805 65.4890 171.5319 9 Y 4.7707 10.0108 125.8628 56.2286 41.5811 174.0012 10 E 5.5943 8.2583 121.6781 54.5154 34.0840 175.2815 11 D 5.4498 8.8134 121.3752 54.4272 38.8718 173.8773 12 V 4.3546 7.1839 111.5755 60.2175 34.3528 175.4938 13 K 4.6274 8.6298 120.9068 54.7160 33.4212 176.7310 14 L 4.8012 8.7180 128.7128 53.1465 39.9600 175.7075 15 I 4.4646 7.7059 121.6392 61.4056 38.5176 176.8941 16 G 4.5847 8.7601 113.4269 45.8521 0.0000 173.2302 17 E 4.0776 7.4845 120.1711 55.1011 30.4231 175.1694 18 D 4.9697 8.1675 123.5410 53.0479 41.4779 175.4566 19 F 4.6581 8.8728 126.2582 56.8250 39.5496 175.8632 20 S 4.4280 8.2865 116.4689 59.5922 63.0273 174.8852 21 G 3.9840 8.7125 111.5578 45.6439 0.0000 173.8667 22 K 4.2496 7.6931 119.5204 55.6009 32.9820 176.4069 23 S 4.8161 8.5542 116.8706 57.8195 62.1921 174.0872 24 L 4.9692 8.7914 132.0574 54.0183 42.4786 177.2009 25 T 4.0717 8.2248 114.6324 65.6680 68.8082 173.7735 26 Y 4.0331 8.5921 120.7434 57.7207 36.5850 170.1836 27 A 4.3717 7.8662 122.0517 52.5025 19.9684 177.1985 28 Q 4.8605 8.3541 118.4017 54.0171 32.4462 174.6904 29 F 5.1756 9.4307 122.8267 56.1974 42.1423 174.0961 30 T 4.9214 9.0586 122.0088 61.7890 71.0612 174.7249 31 N 5.0731 9.2685 126.3491 53.8477 38.2564 172.8913 32 A 5.1885 7.8090 118.2299 50.1957 22.7400 176.4305 33 D 4.6910 8.9928 121.9184 52.8544 42.6518 176.3248 34 L 5.1029 8.5235 126.4614 53.8189 43.4802 176.6214 35 T 4.1644 8.1589 116.0910 65.8801 68.9736 173.9300 36 D 4.8214 9.2022 123.7802 55.3453 39.4537 173.8031 37 S 4.7350 7.9218 115.1577 58.3807 64.7605 172.8265 38 N 5.0693 9.0337 121.2744 51.9045 40.7583 174.3907 39 F 5.2071 9.4991 125.6693 57.0355 41.2436 175.5752 40 S 4.5228 8.7585 115.1295 59.8918 62.9551 174.4204 41 E 3.7305 9.1107 121.4426 57.1250 27.7759 173.8992 42 A 4.4308 7.8758 121.0720 51.7293 20.5433 177.3471 43 D 4.7377 9.0110 120.8224 52.7872 41.8981 176.1781 44 L 4.9790 8.3568 127.1503 54.0934 43.4914 176.8133 45 R 4.1335 7.9323 119.3312 57.8708 29.9813 177.8592 46 G 3.7290 9.1329 109.8924 45.0793 0.0000 173.1686 47 A 4.3920 7.9516 121.7942 51.7277 20.0646 177.1787 48 V 4.8336 8.8019 119.7557 61.0921 34.7246 174.3346 49 F 5.2971 9.6098 127.0572 55.7854 41.6631 173.8944 50 N 5.2555 9.2785 123.5027 51.9581 41.9128 174.5294 51 G 4.6656 9.1495 115.7148 47.3426 0.0000 172.6828 52 S 5.2149 7.8933 113.3881 56.3314 66.6628 173.2716 53 A 4.4422 8.5157 122.6324 49.6499 21.6053 177.1626 54 L 4.5091 7.7528 126.9271 54.1765 41.1097 178.0212 55 I 3.9766 7.4506 120.7633 62.5285 37.6783 177.3348 56 G 3.9903 8.7955 113.1656 45.4645 0.0000 173.1689 57 A 4.3944 7.6959 121.0485 51.6537 20.0120 176.9891 58 D 4.9464 9.2152 121.2005 52.5811 42.8721 176.4335 59 L 5.0746 8.8378 127.0755 54.4567 43.9463 175.9194 60 H 4.2361 8.9106 120.2648 57.9505 29.8523 175.9090 61 G 3.7535 8.6634 114.1835 45.0314 0.0000 173.2616 62 A 4.3431 8.0505 122.0956 51.8065 20.1199 176.8297 63 D 4.8423 8.8235 120.4508 52.4794 43.0252 176.1931 64 L 4.6171 8.8115 127.8309 54.4517 43.3468 176.9467 65 T 4.1926 8.0423 116.0960 65.5627 68.5932 174.3513 66 N 4.3397 9.2904 121.3215 54.0839 37.0991 174.4958 67 G 4.0386 7.9239 106.3359 46.2047 0.0000 173.1474 68 L 5.6498 9.1147 118.9617 53.0123 46.0306 175.7499 69 A 5.5326 9.1189 124.6004 50.5575 22.3953 174.7702 70 Y 4.6666 9.0615 122.2295 56.4423 42.8647 175.1622 71 L 3.8096 7.7521 125.3372 55.4180 39.6963 173.6155 72 T 5.0670 7.4225 112.3121 61.7168 73.0168 174.0248 73 S 4.6902 8.3163 117.6361 56.1654 65.6281 174.2523 74 F 4.8093 8.9112 126.1698 56.8632 40.4458 175.6244 75 K 4.8768 7.1632 119.3526 57.4860 31.8846 178.4360 76 G 3.8989 9.1035 110.9775 45.4750 0.0000 172.9617 77 A 4.3027 7.8618 122.0214 51.9455 20.0892 176.6931 78 D 4.9175 9.1277 120.6940 52.8639 42.4827 176.1014 79 L 4.9197 8.7752 126.2119 54.4205 43.4976 176.8154 80 T 4.2322 8.4020 110.9993 63.2718 69.2189 174.4851 81 N 4.1637 8.8824 120.1191 53.6840 37.4930 173.9917 82 A 4.4304 7.7033 120.7328 51.7789 20.2607 177.0305 83 V 4.3411 8.5401 120.2080 60.7562 33.8700 175.9804 84 L 4.8648 8.3393 129.8934 54.1826 43.2439 176.7159 85 T 4.1384 8.1088 115.1884 65.7324 68.6953 174.0384 86 E 4.2794 9.5091 123.5741 56.0568 28.0352 174.3419 87 A 4.4773 8.0117 121.0018 52.1172 19.6930 177.7734 88 I 4.6170 8.4928 122.1137 59.1330 40.7320 176.0093 *91 R 4.4850 8.0899 120.1362 56.8198 31.4013 175.2077 92 T 5.3610 7.9153 114.5740 60.7743 71.7920 174.4216 93 K 5.0355 8.3908 124.9051 54.2560 34.6541 176.7073 94 F 5.0755 9.1575 121.3268 57.1588 41.4248 174.6314 95 D 4.6062 8.4340 119.5390 56.2817 40.8493 176.9453 96 D 4.4469 9.0326 121.5848 54.6740 38.6024 173.8034 97 A 4.3956 7.9904 122.4024 51.7939 19.1399 177.9247 98 K 4.3600 8.9053 122.0778 55.7519 32.5988 177.5428 99 I 4.5305 8.2236 116.0326 60.4494 38.3778 175.0415 100 T 4.2381 7.8842 118.7728 66.0820 68.0371 174.9662 101 G 4.0295 9.2825 114.5920 46.1786 0.0000 173.1679 102 A 4.0205 8.1692 123.5598 52.0062 19.0151 176.3185 103 D 4.8454 8.3447 120.4186 52.9258 42.0275 176.0580 104 F 4.7934 8.5880 125.6286 57.0695 39.5971 175.8824 105 S 4.1794 8.4583 118.2101 60.3795 62.4703 175.0981 106 L 3.6260 8.8314 122.7119 55.2417 39.2539 173.8640 107 A 4.4502 8.1832 120.8816 51.7902 19.3501 177.8993 108 V 4.2833 8.6035 121.6692 61.3960 32.7412 174.9101 109 L 5.0559 8.3084 126.5291 52.4485 45.7619 176.2043 110 D 4.6111 8.6602 119.7237 54.0842 41.8561 178.1496 111 V 3.6340 8.5958 122.5948 65.3804 31.1347 178.0791 112 Y 3.9787 8.0143 119.4910 60.3725 38.6009 177.6673 113 E 3.9236 8.2711 119.0335 59.3645 29.7070 179.1479 114 V 3.3503 7.6819 118.1724 66.1220 31.2839 177.8250 115 D 4.2148 7.5108 116.7301 57.2806 40.8267 178.6629 116 K 4.0546 7.5880 118.8948 59.4308 32.0015 179.5394 117 L 3.8883 8.0821 119.6561 57.8075 40.7132 178.8682 118 C 4.3137 8.1201 116.1958 59.5578 39.8237 175.6178 119 D 4.2937 7.5767 119.9537 55.9776 40.4564 176.9175 120 R 4.4874 7.0987 108.9104 54.8073 30.6934 175.4819 121 A 3.9833 7.7411 123.0499 52.8717 18.8449 176.5476 122 D 4.3832 8.5962 120.5649 53.3085 42.3388 175.4620 123 G 4.1792 8.8404 105.1656 45.2973 0.0000 172.2981 124 V 4.6772 7.6962 116.9979 60.4368 34.3571 174.3777 125 N 4.6137 8.8235 125.5071 52.3007 39.0373 174.0967 126 P 4.3372 0.0000 0.0000 64.9695 31.6416 177.4227 127 K 4.3504 8.2683 116.2363 56.9062 32.6158 177.1722 128 T 4.3738 7.8115 106.1594 60.1129 70.3386 175.0976 129 G 3.8608 8.5069 109.9318 45.6816 0.0000 173.4908 130 V 4.0631 7.2180 120.1666 61.4381 32.7735 175.0985 131 S 4.6436 8.3840 120.5946 58.1107 63.8216 175.0583 132 T 4.1047 8.3367 127.5268 66.2822 68.4288 176.8025 133 R 3.8527 7.9329 119.9730 59.6026 30.1648 178.2870 134 E 4.0312 7.9943 118.5612 59.2278 29.2371 179.4021 135 S 4.2082 8.2560 113.6606 60.7748 63.1161 175.6571 136 L 4.1695 7.5175 120.6671 53.7225 42.3835 176.2503 137 R 3.8027 7.8124 116.9009 57.3600 27.9196 175.6158 138 C 4.4210 7.9607 118.8982 57.3493 41.1257 174.2083 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 7 A 8.12 4.28 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 8 S 7.69 4.53 0.00 3.77 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 10.01 4.77 0.00 2.70 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 10 E 8.26 5.59 0.00 1.87 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 2.28 2.13 0.00 11 D 8.81 5.45 0.00 2.84 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 12 V 7.18 4.35 2.23 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 0.91 0.00 0.00 1.12 0.00 0.00 13 K 8.63 4.63 0.00 1.63 1.77 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.46 7.81 14 L 8.72 4.80 0.00 1.61 1.73 0.69 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.71 4.46 1.89 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 1.36 0.76 0.98 0.00 0.00 16 G 8.76 4.58 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 0.00 0.00 0.00 17 E 7.48 4.08 0.00 2.34 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 2.34 2.01 0.00 18 D 8.17 4.97 0.00 2.53 2.41 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 19 F 8.87 4.66 0.00 2.55 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 20 S 8.29 4.43 0.00 4.13 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 21 G 8.71 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 22 K 7.69 4.25 0.00 2.17 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.58 7.81 23 S 8.55 4.82 0.00 3.88 3.86 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 24 L 8.79 4.97 0.00 1.94 1.76 1.22 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.22 4.07 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 1.08 0.00 0.00 26 Y 8.59 4.03 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 27 A 7.87 4.37 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 28 Q 8.35 4.86 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 29 F 9.43 5.18 0.00 2.73 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 30 T 9.06 4.92 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 1.26 0.00 0.00 31 N 9.27 5.07 0.00 2.87 2.94 0.00 0.00 6.75 8.35 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 32 A 7.81 5.19 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 33 D 8.99 4.69 0.00 2.75 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 34 L 8.52 5.10 0.00 1.62 1.70 0.40 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.16 4.16 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 1.27 0.00 0.00 36 D 9.20 4.82 0.00 2.87 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 37 S 7.92 4.73 0.00 4.08 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 9.03 5.07 0.00 2.66 2.73 0.00 0.00 7.29 7.53 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 39 F 9.50 5.21 0.00 3.06 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 40 S 8.76 4.52 0.00 4.17 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 0.00 41 E 9.11 3.73 0.00 2.26 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 2.29 2.43 0.00 42 A 7.88 4.43 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 43 D 9.01 4.74 0.00 2.78 2.63 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 44 L 8.36 4.98 0.00 1.84 1.72 0.85 0.95 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 45 R 7.93 4.13 0.00 1.96 1.70 0.00 3.19 0.00 0.00 3.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 46 G 9.13 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 47 A 7.95 4.39 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 48 V 8.80 4.83 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 49 F 9.61 5.30 0.00 3.04 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 50 N 9.28 5.26 0.00 2.84 2.72 0.00 0.00 6.67 7.54 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 51 G 9.15 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 52 S 7.89 5.21 0.00 3.85 3.86 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 53 A 8.52 4.44 1.13 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 0.00 0.00 54 L 7.75 4.51 0.00 0.90 1.30 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.45 3.98 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.95 0.94 0.00 0.00 56 G 8.80 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 57 A 7.70 4.39 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 58 D 9.22 4.95 0.00 2.75 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 59 L 8.84 5.07 0.00 1.81 1.63 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.91 4.24 0.00 3.24 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.66 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 62 A 8.05 4.34 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.82 4.84 0.00 2.73 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 64 L 8.81 4.62 0.00 1.54 1.67 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.04 4.19 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 1.25 0.00 0.00 66 N 9.29 4.34 0.00 2.94 2.93 0.00 0.00 6.66 8.37 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 67 G 7.92 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 68 L 9.11 5.65 0.00 1.66 1.62 0.98 0.89 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 69 A 9.12 5.53 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.06 4.67 0.00 3.08 2.85 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 71 L 7.75 3.81 0.00 1.72 1.53 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.42 5.07 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 0.75 0.00 0.00 73 S 8.32 4.69 0.00 3.75 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.91 4.81 0.00 2.64 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 75 K 7.16 4.88 0.00 1.75 1.76 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.32 7.81 76 G 9.10 3.90 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 0.00 0.00 0.00 77 A 7.86 4.30 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 78 D 9.13 4.92 0.00 2.76 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 79 L 8.78 4.92 0.00 1.80 1.56 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.40 4.23 4.33 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 1.34 0.00 0.00 81 N 8.88 4.16 0.00 2.75 2.85 0.00 0.00 6.64 7.70 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 82 A 7.70 4.43 1.22 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 0.00 0.00 0.00 83 V 8.54 4.34 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 0.74 0.00 0.00 0.87 0.00 0.00 84 L 8.34 4.86 0.00 1.30 1.43 0.22 0.52 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 85 T 8.11 4.14 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 1.25 0.00 0.00 86 E 9.51 4.28 0.00 2.07 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 2.26 2.20 0.00 87 A 8.01 4.48 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 88 I 8.49 4.62 1.95 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 1.28 1.06 0.99 0.00 0.00 *91 R 8.09 4.49 0.00 1.41 1.69 0.00 3.14 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.34 0.00 92 T 7.92 5.36 4.36 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 1.12 0.00 0.00 93 K 8.39 5.04 0.00 1.66 1.92 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.26 7.81 94 F 9.16 5.08 0.00 3.09 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 95 D 8.43 4.61 0.00 2.83 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 96 D 9.03 4.45 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.99 4.40 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.91 4.36 0.00 1.88 1.80 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.41 7.81 99 I 8.22 4.53 2.09 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.34 1.03 0.00 0.00 100 T 7.88 4.24 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 1.22 0.00 0.00 101 G 9.28 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 0.00 102 A 8.17 4.02 1.21 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 0.00 0.00 0.00 103 D 8.34 4.85 0.00 2.59 2.42 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 0.00 104 F 8.59 4.79 0.00 3.05 2.93 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 0.00 105 S 8.46 4.18 0.00 3.88 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 0.00 106 L 8.83 3.63 0.00 1.88 1.77 0.93 0.90 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 0.00 107 A 8.18 4.45 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.60 4.28 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 0.85 0.00 0.00 0.96 0.00 0.00 109 L 8.31 5.06 0.00 1.45 1.54 0.39 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.66 4.61 0.00 2.86 2.68 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 0.00 111 V 8.60 3.63 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 0.94 0.00 0.00 112 Y 8.01 3.98 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.27 3.92 0.00 2.14 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 2.61 2.78 0.00 114 V 7.68 3.35 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 0.90 0.00 0.00 0.89 0.00 0.00 115 D 7.51 4.21 0.00 2.63 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 0.00 116 K 7.59 4.05 0.00 1.63 1.68 0.00 1.45 0.00 0.00 1.40 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.58 0.92 7.81 117 L 8.08 3.89 0.00 1.32 1.34 0.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 118 C 8.12 4.31 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 7.58 4.29 0.00 2.71 2.68 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 0.00 120 R 7.10 4.49 0.00 1.87 1.93 0.00 3.07 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 121 A 7.74 3.98 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 0.00 122 D 8.60 4.38 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 0.00 123 G 8.84 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 0.00 124 V 7.70 4.68 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 0.88 0.00 0.00 0.93 0.00 0.00 125 N 8.82 4.61 0.00 2.82 2.66 0.00 0.00 7.09 7.45 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 0.00 126 P 0.00 4.34 0.00 2.06 2.09 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 127 K 8.27 4.35 0.00 1.85 1.84 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.34 7.81 128 T 7.81 4.37 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 1.18 0.00 0.00 129 G 8.51 3.86 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 0.00 0.00 0.00 130 V 7.22 4.06 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 1.00 0.00 0.00 0.96 0.00 0.00 131 S 8.38 4.64 0.00 3.93 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.34 4.10 4.37 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 1.37 0.00 0.00 133 R 7.93 3.85 0.00 1.85 1.90 0.00 3.15 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 134 E 7.99 4.03 0.00 2.15 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 2.31 2.30 0.00 135 S 8.26 4.21 0.00 4.20 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 0.00 136 L 7.52 4.17 0.00 1.62 1.56 0.53 0.07 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 0.00 137 R 7.81 3.80 0.00 1.93 1.98 0.00 3.15 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 138 C 7.96 4.42 0.00 2.94 2.93 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 * Residues marked with a * may have inaccurate shift predictions.