NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.6915 8.2544 119.6790 56.3059 31.4571 174.0894 11 F 5.0239 9.3319 126.9301 55.6865 42.8459 172.1357 12 T 4.7089 7.1628 117.0439 60.3024 71.1510 172.0635 13 H 4.3965 8.7891 126.8618 54.5680 32.8951 171.5169 14 D 5.2596 8.3422 125.3897 52.8084 43.2609 176.2826 15 F 4.5980 8.8247 124.7319 56.7307 42.6229 173.5620 16 V 3.8261 7.9241 127.4822 62.5313 32.1360 175.6197 17 V 3.2840 8.2362 129.9984 61.8879 32.2137 174.4298 18 P 4.6686 0.0000 0.0000 61.1111 32.6840 174.4115 19 P 4.3446 0.0000 0.0000 65.1638 31.3485 177.1600 20 H 4.1518 7.6824 112.6248 55.6558 29.0698 175.3025 21 K 3.7198 7.5301 118.1421 56.9248 33.0922 176.7260 22 T 5.1971 7.9404 109.0390 59.6775 70.5688 175.6311 23 V 3.6776 8.4635 121.5239 65.3497 30.7443 178.5216 24 R 4.2034 7.8790 116.6713 58.6421 29.6789 177.9915 25 H 4.6755 8.2745 114.6993 57.1643 29.0556 176.8908 26 L 4.2925 8.0976 122.3419 56.8220 43.2552 176.3725 27 Y 5.1539 7.6445 115.9101 53.8359 38.7345 173.5057 28 P 4.5771 0.0000 0.0000 64.5665 32.1762 177.8729 29 E 3.9506 8.4375 117.1698 58.3101 29.5285 176.0533 30 S 4.4145 8.0105 114.3116 55.7875 62.4359 172.7973 31 P 4.3215 0.0000 0.0000 65.1836 31.3560 178.4512 32 E 4.1535 7.4655 115.0246 57.9144 29.5589 177.3101 33 F 5.0863 7.7682 116.7961 57.0186 39.7529 177.2101 34 A 4.0250 7.8221 124.6251 55.2331 18.1153 178.6646 35 E 4.2854 8.1136 112.2915 57.0791 30.2988 176.7318 36 A 4.0973 7.8421 122.4841 51.4227 18.9133 175.7053 37 P 4.3892 0.0000 0.0000 62.9245 32.1973 177.6877 38 E 4.4269 8.4749 122.1432 55.8746 27.5720 176.1568 39 V 4.7887 7.2690 114.1471 58.6194 36.9829 174.9819 40 F 4.8696 9.0065 124.9772 59.1227 39.6750 175.1153 41 A 4.1657 8.8879 128.3640 52.1293 19.1003 178.4410 42 T 3.6730 8.7641 117.5874 66.6450 68.5608 177.3557 43 G 3.4109 7.7953 107.0978 47.8137 0.0000 175.6584 44 F 4.2550 7.6374 119.6112 60.0552 38.8607 177.4708 45 M 3.9674 7.3332 118.0999 58.5742 32.0730 178.1891 46 V 3.6124 7.9870 118.9376 66.0965 31.5898 178.2140 47 G 3.5803 7.8920 105.1378 47.7904 0.0000 175.4432 48 L 4.1800 8.6166 123.3517 58.0194 42.0685 179.0514 49 M 4.0032 8.4118 119.1042 58.3949 31.8706 178.4728 50 E 3.7898 8.1411 118.7042 59.0786 29.5982 179.1897 51 W 4.2399 8.2607 128.0923 60.3520 30.6707 177.6527 52 A 3.8582 7.6950 120.3036 55.5740 17.8696 179.3234 53 C 3.0690 7.5093 114.4078 62.5720 28.1155 176.5871 54 V 3.4830 7.9339 120.0809 65.9906 30.8536 178.3273 55 R 3.8273 7.7095 116.3499 59.2154 30.0096 178.3831 56 A 3.6442 7.4727 119.4992 55.0615 18.6405 178.9520 57 M 4.0203 8.0690 113.9040 56.5544 31.5464 178.2113 58 A 4.0003 7.5693 121.8464 55.2227 18.6206 177.5129 59 P 4.4641 0.0000 0.0000 65.8025 31.3439 177.6812 60 Y 4.3757 8.4794 112.1405 57.7451 38.1175 175.2732 61 L 4.7505 7.1236 120.4128 53.1057 44.1662 175.9844 62 E 4.5368 8.5617 121.4290 53.8279 31.6785 173.5236 63 P 4.4175 0.0000 0.0000 64.7215 31.4786 177.2366 64 G 3.9611 9.1238 111.9744 44.9906 0.0000 172.4595 65 E 4.8233 7.6255 118.4023 56.1493 31.0129 175.9137 66 G 4.3069 9.0315 108.1958 45.4479 0.0000 171.1750 67 S 5.2788 8.4075 112.9972 56.6130 66.7291 173.0471 68 L 4.6743 8.5276 121.1423 53.1057 45.6893 175.3963 69 G 4.3498 8.7312 112.5691 46.4725 0.0000 173.2878 70 T 4.8336 8.9744 113.0427 61.1583 70.7865 173.8483 71 A 4.6068 7.6224 121.7784 51.1604 22.6691 175.0991 72 I 4.9076 8.3453 121.1179 59.7770 41.2441 174.1197 73 C 4.7670 9.2687 129.6948 57.7787 33.4216 172.7832 74 V 5.0701 8.1210 117.4358 59.8054 35.7998 174.8450 75 T 4.4280 8.6433 113.0385 61.2922 71.3827 173.5392 76 H 5.2802 8.5443 121.4446 55.0602 30.1733 172.0381 77 T 4.4423 9.7132 115.7132 62.0791 70.0496 175.2006 78 A 4.6728 7.8425 122.5824 49.9702 22.2911 174.8155 79 A 4.5419 8.3564 121.8412 51.5371 20.5756 177.4363 80 T 4.5876 8.4010 116.4369 61.0196 71.7151 172.2309 81 P 4.9402 0.0000 0.0000 61.1048 33.3580 174.0488 82 P 4.3710 0.0000 0.0000 64.2497 31.6516 176.0577 83 G 3.9985 8.9379 109.6830 45.5267 0.0000 174.4287 84 L 4.1915 7.2419 118.2674 54.9017 43.3650 176.3639 85 T 4.5952 8.1864 117.7425 62.4260 70.3578 173.9151 86 V 4.5105 8.7066 127.7987 62.1845 33.2914 174.5365 87 T 4.8662 8.9440 125.4622 61.9430 70.6521 173.5692 88 V 4.6489 8.7623 127.4128 61.8304 33.8227 174.4441 89 T 4.9275 8.7124 124.2600 61.7589 70.9417 173.1447 90 A 5.1062 9.2896 128.4785 50.1182 21.8265 174.4995 91 E 4.8609 9.4922 125.0963 54.0757 31.6419 174.9242 92 L 3.5386 8.8632 130.0648 54.5919 42.4820 177.4384 93 R 4.7054 8.7308 123.9777 54.1626 28.0525 173.3577 94 S 5.3403 7.9505 109.6927 56.4657 64.0530 174.4533 *97 G 3.9034 8.0143 108.3982 45.8384 0.0000 175.1103 98 R 4.4085 8.5071 121.2942 56.6320 30.5354 175.9564 99 R 5.0961 8.3191 119.5735 54.5101 32.8941 174.6606 100 L 4.6374 9.0545 125.2260 52.7823 45.8143 175.2604 101 S 5.1187 7.8493 116.6749 56.3128 65.1346 172.6629 102 W 5.1204 9.4746 127.0618 54.8690 32.3660 174.8546 103 R 4.8155 8.9030 123.7538 55.8808 31.2551 175.6331 104 V 5.2318 9.3829 119.0878 59.9681 36.2566 174.6169 105 S 5.1558 8.7081 115.8139 57.3069 66.8140 172.7823 106 A 5.7817 9.1865 122.2258 49.8303 22.9878 174.5809 107 H 5.2569 8.6549 118.9303 54.3549 33.4101 173.2132 108 D 5.5612 8.5925 123.7540 52.5229 39.5648 178.6390 109 G 3.9179 8.3909 108.2824 46.3229 0.0000 174.6298 110 V 4.2321 7.8659 116.0859 63.8208 33.5258 175.2120 111 D 4.9427 8.8458 118.4115 52.0091 44.2969 174.5435 112 E 4.4587 8.5039 122.6885 55.9606 30.4455 176.2422 113 I 4.3931 8.5180 118.7056 60.7814 40.0390 175.2657 114 G 4.5003 8.0151 109.2551 46.5527 0.0000 172.0738 115 S 5.0141 7.2445 113.3570 56.7364 66.4436 175.6794 116 G 4.2057 7.9852 109.2323 46.8701 0.0000 171.6480 117 T 5.2499 8.5037 114.4071 60.3983 73.0745 173.0967 118 H 5.3955 9.3416 121.1659 55.3127 33.8536 171.6468 119 E 5.2329 9.0482 125.5618 54.8672 31.8707 175.3682 120 R 5.2161 9.3939 121.9992 54.3451 35.1922 174.1692 121 A 5.0941 8.6233 120.9428 50.2476 22.4321 175.8856 122 V 4.2945 8.9241 124.1566 62.8631 32.3680 175.3605 123 I 4.7079 9.2176 121.1085 59.1677 41.8973 174.4565 124 H 4.8488 8.8342 123.1124 55.3976 29.3970 175.5329 125 L 3.9753 8.6597 128.6535 58.3775 41.5559 179.7534 126 E 3.9797 7.8119 117.4989 58.9365 29.4995 178.9325 127 K 3.9232 8.1667 119.3262 59.5705 32.3441 177.9920 128 F 4.0520 8.1556 120.4493 61.6818 39.2840 176.5319 129 N 4.1842 8.5418 115.6830 56.4913 38.5007 177.0537 130 A 3.9240 7.9733 121.5394 55.2411 18.3241 179.6365 131 K 3.9224 7.6587 115.4058 59.7645 32.4097 179.3135 132 V 3.4678 7.8052 118.5531 66.0033 31.2751 178.2765 133 R 3.9958 7.8476 119.0503 58.6448 29.7021 178.4877 134 Q 4.2301 7.6601 114.9807 57.1239 28.7083 176.8107 135 K 4.4706 7.7456 117.9283 56.0536 33.1776 175.7130 136 T 4.4368 7.8213 117.9805 60.9958 69.5553 172.7048 137 P 4.1353 0.0000 0.0000 63.6860 32.0500 176.2083 138 A 4.0387 8.5604 123.4903 52.8139 18.5304 177.3086 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 10 R 8.25 4.69 0.00 1.78 2.03 0.00 3.14 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 11 F 9.33 5.02 0.00 3.03 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 12 T 7.16 4.71 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 0.97 0.00 0.00 13 H 8.79 4.40 0.00 3.00 2.83 0.00 5.81 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.34 5.26 0.00 2.44 2.44 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 15 F 8.82 4.60 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 16 V 7.92 3.83 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 0.58 0.00 0.00 0.77 0.00 0.00 17 V 8.24 3.28 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 0.50 0.00 0.00 0.28 0.00 0.00 18 P 0.00 4.67 0.00 1.84 1.87 0.00 3.56 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 19 P 0.00 4.34 0.00 2.19 2.12 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 20 H 7.68 4.15 0.00 3.13 3.29 0.00 5.47 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.53 3.72 0.00 1.72 1.57 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.01 1.53 7.81 22 T 7.94 5.20 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 1.38 0.00 0.00 23 V 8.46 3.68 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 0.58 0.00 0.00 0.54 0.00 0.00 24 R 7.88 4.20 0.00 2.00 2.09 0.00 3.17 0.00 0.00 3.42 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.74 0.00 25 H 8.27 4.68 0.00 3.53 3.60 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.10 4.29 0.00 1.61 1.95 -0.35 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.64 5.15 0.00 3.24 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 28 P 0.00 4.58 0.00 2.07 2.16 0.00 3.73 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 29 E 8.44 3.95 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 30 S 8.01 4.41 0.00 3.57 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 31 P 0.00 4.32 0.00 2.18 2.07 0.00 3.54 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 32 E 7.47 4.15 0.00 1.64 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 2.24 2.26 0.00 33 F 7.77 5.09 0.00 3.06 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 34 A 7.82 4.02 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 35 E 8.11 4.29 0.00 2.02 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 2.31 2.35 0.00 36 A 7.84 4.10 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 37 P 0.00 4.39 0.00 2.06 2.01 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 38 E 8.47 4.43 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 2.35 2.31 0.00 39 V 7.27 4.79 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 1.03 0.00 0.00 1.01 0.00 0.00 40 F 9.01 4.87 0.00 3.06 3.12 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 0.00 41 A 8.89 4.17 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 42 T 8.76 3.67 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 1.15 0.00 0.00 43 G 7.80 3.41 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 44 F 7.64 4.25 0.00 2.70 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 M 7.33 3.97 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 46 V 7.99 3.61 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 0.89 0.00 0.00 0.88 0.00 0.00 47 G 7.89 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 0.00 0.00 0.00 48 L 8.62 4.18 0.00 2.03 1.95 0.49 1.13 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 49 M 8.41 4.00 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 50 E 8.14 3.79 0.00 2.13 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 2.04 2.35 0.00 51 W 8.26 4.24 0.00 3.43 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 52 A 7.70 3.86 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 53 C 7.51 3.07 0.00 2.61 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 54 V 7.93 3.48 2.28 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 1.03 0.00 0.00 0.96 0.00 0.00 55 R 7.71 3.83 0.00 1.96 1.67 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.96 0.00 56 A 7.47 3.64 1.17 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 0.00 0.00 57 M 8.07 4.02 0.00 2.49 2.42 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 58 A 7.57 4.00 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 59 P 0.00 4.46 0.00 2.66 2.22 0.00 3.73 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 2.24 2.23 0.00 60 Y 8.48 4.38 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 61 L 7.12 4.75 0.00 1.83 1.61 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.56 4.54 0.00 2.24 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 2.26 2.31 0.00 63 P 0.00 4.42 0.00 2.06 2.02 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 64 G 9.12 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 0.00 0.00 0.00 65 E 7.63 4.82 0.00 2.07 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 2.37 2.31 0.00 66 G 9.03 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 67 S 8.41 5.28 0.00 3.83 3.81 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 68 L 8.53 4.67 0.00 1.56 1.36 0.55 0.42 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 69 G 8.73 4.35 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 0.00 70 T 8.97 4.83 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 1.26 0.00 0.00 71 A 7.62 4.61 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 72 I 8.35 4.91 1.92 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 1.22 0.83 0.92 0.00 0.00 73 C 9.27 4.77 0.00 3.03 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 74 V 8.12 5.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 75 T 8.64 4.43 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 76 H 8.54 5.28 0.00 3.09 3.18 0.00 5.73 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 77 T 9.71 4.44 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 1.23 0.00 0.00 78 A 7.84 4.67 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 79 A 8.36 4.54 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 80 T 8.40 4.59 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 1.12 0.00 0.00 81 P 0.00 4.94 0.00 2.17 2.19 0.00 3.43 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 82 P 0.00 4.37 0.00 2.01 1.97 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 83 G 8.94 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 84 L 7.24 4.19 0.00 1.71 1.65 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.19 4.60 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 1.13 0.00 0.00 86 V 8.71 4.51 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 1.10 0.00 0.00 0.74 0.00 0.00 87 T 8.94 4.87 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 1.16 0.00 0.00 88 V 8.76 4.65 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 89 T 8.71 4.93 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 1.22 0.00 0.00 90 A 9.29 5.11 1.10 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 91 E 9.49 4.86 0.00 2.07 1.92 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 2.25 2.28 0.00 92 L 8.86 3.54 0.00 1.52 1.47 0.68 -0.41 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 93 R 8.73 4.71 0.00 1.69 1.84 0.00 3.13 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 94 S 7.95 5.34 0.00 4.00 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 *97 G 8.01 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 98 R 8.51 4.41 0.00 1.79 2.09 0.00 3.08 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 99 R 8.32 5.10 0.00 1.71 1.72 0.00 3.25 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 100 L 9.05 4.64 0.00 1.62 0.51 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.85 5.12 0.00 3.90 3.54 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 0.00 102 W 9.47 5.12 0.00 3.36 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 0.00 103 R 8.90 4.82 0.00 1.94 1.86 0.00 3.06 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 104 V 9.38 5.23 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 0.78 0.00 0.00 1.00 0.00 0.00 105 S 8.71 5.16 0.00 3.91 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 0.00 106 A 9.19 5.78 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 0.00 107 H 8.65 5.26 0.00 3.13 3.03 0.00 5.65 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.59 5.56 0.00 2.87 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 0.00 109 G 8.39 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.87 4.23 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 0.84 0.00 0.00 0.93 0.00 0.00 111 D 8.85 4.94 0.00 2.68 2.48 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 0.00 112 E 8.50 4.46 0.00 1.80 1.76 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 2.27 2.47 0.00 113 I 8.52 4.39 2.14 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.98 0.00 0.00 114 G 8.02 4.50 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 0.00 115 S 7.24 5.01 0.00 3.95 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 0.00 116 G 7.99 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 0.00 0.00 0.00 0.00 117 T 8.50 5.25 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 1.25 0.00 0.00 118 H 9.34 5.40 0.00 3.27 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.05 5.23 0.00 2.01 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 2.23 2.30 0.00 120 R 9.39 5.22 0.00 1.89 1.96 0.00 3.02 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 121 A 8.62 5.09 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 0.00 122 V 8.92 4.29 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 0.86 0.00 0.00 0.97 0.00 0.00 123 I 9.22 4.71 1.83 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.05 0.81 0.00 0.00 124 H 8.83 4.85 0.00 3.20 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.66 3.98 0.00 1.73 1.74 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.81 3.98 0.00 1.99 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 2.41 2.43 0.00 127 K 8.17 3.92 0.00 1.97 2.11 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.56 7.81 128 F 8.16 4.05 0.00 3.24 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 0.00 129 N 8.54 4.18 0.00 2.96 2.89 0.00 0.00 7.00 7.19 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 0.00 130 A 7.97 3.92 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 0.00 131 K 7.66 3.92 0.00 1.61 1.78 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 132 V 7.81 3.47 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 0.92 0.00 0.00 0.08 0.00 0.00 133 R 7.85 4.00 0.00 2.05 1.93 0.00 3.17 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 134 Q 7.66 4.23 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 135 K 7.75 4.47 0.00 1.78 1.73 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.32 7.81 136 T 7.82 4.44 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 1.19 0.00 0.00 137 P 0.00 4.14 0.00 2.03 1.98 0.00 3.80 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 2.02 2.08 0.00 138 A 8.56 4.04 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 * Residues marked with a * may have inaccurate shift predictions.