NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8240 8.1476 120.6199 55.5468 34.0739 173.8474 2 V 4.8541 9.4250 126.3137 59.0399 34.8267 172.5965 3 L 4.5341 9.0832 126.3572 53.4289 44.4758 176.1310 4 I 4.8045 8.4308 127.8093 59.8059 39.2025 174.4905 5 L 5.0404 8.8175 127.9573 52.8119 44.6820 175.4812 6 N 5.3790 8.8585 120.2461 51.7625 42.0562 174.8020 7 G 4.5812 8.6001 113.6577 43.0450 0.0000 171.5945 8 P 4.5564 0.0000 0.0000 64.0450 32.0490 177.3757 9 N 4.5786 9.2895 117.4236 53.7593 37.7901 176.4673 10 L 4.0980 7.5593 118.1129 56.4856 41.9815 178.6119 11 N 4.4264 8.2508 115.3190 55.0011 36.9040 175.4325 12 L 4.5102 7.8661 118.1331 53.9434 42.2506 175.9497 13 L 3.8523 7.3872 119.8975 55.8483 41.8453 175.8154 14 G 3.7338 8.4861 115.2531 45.8324 0.0000 174.9255 15 R 4.2343 7.5743 118.8836 55.3581 30.5945 177.2836 16 R 4.2092 7.8130 115.5362 55.8489 28.8399 176.4595 17 E 4.1118 8.8015 121.0208 55.8210 29.8735 172.0201 18 P 4.7232 0.0000 0.0000 64.6179 32.7419 177.6711 19 E 3.9351 8.1421 117.6311 58.5419 29.4302 178.2396 20 V 3.4323 7.4807 117.1136 65.4395 31.9127 176.0770 21 Y 4.3925 7.8590 116.7556 58.0611 39.0592 176.4632 22 G 3.8891 8.0649 104.8865 44.3981 0.0000 172.6078 23 R 4.5263 8.1945 113.5797 55.8028 30.5253 176.1844 24 T 4.2132 7.7978 110.4070 61.8914 69.5627 175.0184 25 T 4.5527 8.4372 118.0153 59.6711 71.4099 175.6439 26 L 3.8664 8.3240 122.0032 58.4970 42.0050 178.3035 27 E 3.7924 8.2058 117.7933 59.9180 29.4100 179.4960 28 E 3.8352 7.9478 117.6832 58.9444 29.4396 179.1451 29 L 3.6888 8.1083 121.1815 57.9618 42.1449 178.9728 30 E 2.8350 7.5960 117.4478 58.8605 29.4061 178.6494 31 A 3.9715 7.4676 121.9486 54.8483 18.3408 179.4743 32 L 3.1326 7.4800 117.1519 57.9051 41.5439 179.6317 33 C 4.3155 7.5672 116.4169 62.6324 28.0101 175.7184 34 E 3.8756 8.4750 121.0027 59.3465 29.2650 178.7239 35 A 3.9379 7.7525 120.6255 55.1048 18.1804 179.6604 36 W 4.5901 8.0787 116.5048 59.3801 29.3791 179.0574 37 G 3.8412 8.6497 107.1797 47.2819 0.0000 175.2960 38 A 4.0153 8.1586 124.3245 54.7102 18.1544 179.0818 39 E 4.0916 7.9832 113.9151 59.7525 29.4682 178.4661 40 L 4.0669 7.8635 118.3276 54.9034 42.0026 176.6566 41 G 3.8185 9.0603 106.0830 46.9351 0.0000 173.1838 42 L 4.7104 8.3539 121.9323 52.3798 45.1191 175.8660 43 G 3.9154 8.8546 113.9521 46.5891 0.0000 172.3764 44 V 5.3327 8.4062 116.5596 59.3406 35.3450 175.1542 45 V 4.5546 8.8126 124.6261 59.7985 34.1634 174.2264 46 F 5.0853 8.8110 125.4831 56.5854 41.4191 174.3397 47 R 4.6414 8.4277 124.1012 54.6146 34.6984 173.8696 48 Q 5.1897 8.4935 120.5015 55.3279 31.9146 173.5609 49 T 4.8933 9.1159 119.1787 60.8194 71.2011 173.8901 50 N 4.6608 9.1001 122.5759 53.9973 39.4894 175.0378 51 Y 4.5201 8.0234 118.0801 55.6239 40.6108 175.7836 52 E 3.9642 8.8758 125.6737 59.4969 29.8291 179.1528 53 G 3.5948 8.0844 105.1048 47.8601 0.0000 175.2664 54 Q 3.5262 7.7679 121.3369 58.5011 29.1070 177.7639 55 L 3.9197 7.5624 121.1208 58.0069 42.0461 178.9668 56 I 3.6909 7.7337 119.7910 64.4742 37.0557 178.2777 57 E 4.1242 8.0194 119.3767 59.2830 28.9692 179.4901 58 W 4.5161 8.0694 119.0125 59.8795 28.8453 178.9516 59 V 3.8747 7.6434 111.5559 64.1525 31.1529 178.1795 60 Q 4.1861 8.2575 117.4664 58.5159 28.9500 177.8428 61 Q 4.3911 8.1311 118.0454 56.1497 29.3976 177.0358 62 A 4.2355 7.6640 120.9901 56.1148 18.3734 179.0829 63 H 4.3480 8.2819 113.0989 59.2330 28.3045 177.3288 64 Q 3.9105 7.4018 119.3082 58.6064 28.6839 178.5605 65 E 4.1676 8.0780 116.6886 57.1197 29.6971 177.8008 66 G 3.9453 8.1175 107.1609 44.9174 0.0000 174.3268 67 F 4.3705 7.3348 118.3123 57.7968 39.3910 174.6577 68 L 4.7094 8.5489 123.8011 55.8459 43.5345 176.0073 69 A 4.7918 7.7796 117.8546 51.1941 22.7362 174.8544 70 I 4.8841 8.4901 120.6449 59.4771 40.3539 174.8312 71 V 4.5880 8.7455 127.5747 61.2297 33.4847 174.2126 72 L 4.9722 9.3030 129.8702 53.4017 45.3079 174.4620 73 N 5.2438 9.5458 126.6157 50.4860 39.9352 172.9816 74 P 4.4295 0.0000 0.0000 62.2119 32.8262 177.9237 75 G 3.9048 8.5896 108.5258 46.2606 0.0000 175.0045 76 A 4.2373 8.6523 119.7154 55.0541 18.2703 179.5241 77 L 3.1263 7.9291 117.1812 57.7710 41.4820 178.9834 78 T 3.6767 7.6997 113.1612 64.9881 66.8664 174.4732 79 H 5.1059 8.1225 116.6538 55.1084 29.2944 175.0100 80 Y 4.6435 7.1402 115.1748 55.9242 41.4552 175.9290 81 S 4.2105 7.7201 116.4885 57.4870 61.3977 173.4894 82 Y 4.2858 8.2100 126.3155 60.2615 37.8907 177.5093 83 A 4.0257 8.0358 121.8390 54.9593 18.5605 179.2106 84 L 3.9054 7.8583 118.7211 57.9150 42.0941 178.9082 85 L 3.9499 7.6701 120.0257 58.4803 41.8892 178.8677 86 D 4.4037 8.2009 117.1637 56.9620 41.0722 178.3035 87 A 4.1479 8.0683 121.5140 55.3511 18.5777 179.4516 88 I 3.6576 7.8183 116.9427 64.3770 37.8390 178.0455 89 R 4.1418 7.9962 116.9897 57.8795 30.0010 177.5848 90 A 4.5561 7.5155 119.1840 51.0662 19.4808 176.4793 91 Q 4.6031 7.0262 114.3763 53.8757 31.7286 173.6516 92 P 4.5302 0.0000 0.0000 63.8711 32.2635 176.3600 93 L 4.3792 7.9619 120.1512 53.8210 42.3888 175.3837 94 P 4.4790 0.0000 0.0000 63.0149 32.8862 175.0883 95 V 4.9388 8.4107 121.6022 61.1046 34.8933 173.8790 96 V 4.6749 8.7539 127.8748 61.0855 33.8535 173.9335 97 E 4.8017 8.6975 129.4461 55.5262 31.0639 175.1176 98 V 4.9213 8.4027 124.8041 61.6972 35.8123 173.6645 99 H 5.0179 8.8534 121.8538 54.3036 33.0711 174.4051 100 L 4.4755 9.2734 123.0692 57.7580 42.5226 177.4973 101 T 4.5943 7.8561 106.2209 59.4777 71.2166 173.7427 102 N 4.4595 8.1594 120.2853 52.3738 37.8660 175.2913 103 L 3.8907 8.3195 126.6746 57.4785 41.7957 178.1396 104 H 4.5478 8.2981 113.5815 55.8165 28.8817 175.3136 105 A 4.6776 7.8296 121.3605 51.6911 19.7033 176.8189 106 R 4.7989 7.2510 117.1487 55.3080 32.5826 175.2742 107 E 3.9075 8.4173 118.5298 57.6371 30.4069 177.6400 108 E 3.8719 8.7749 122.0762 59.4408 29.3661 179.3502 109 F 4.2545 7.9040 114.0556 59.7211 37.7338 177.3601 110 R 3.4315 6.4804 117.1444 58.2287 29.8128 178.4966 111 R 4.0162 7.5723 116.7729 56.6368 29.8609 175.8348 112 H 4.8727 7.6222 114.4395 53.4996 30.1361 173.0185 113 S 5.0372 8.5317 118.9575 56.5493 63.6363 174.0689 114 V 3.9049 8.2396 121.0190 62.6979 32.1021 177.2474 115 T 4.1593 7.6564 109.5535 63.1938 69.8544 176.7856 116 A 4.0104 8.3403 125.8542 54.5943 18.4890 177.6868 117 P 4.2209 0.0000 0.0000 65.0457 31.4267 176.8285 118 A 4.5115 7.6977 118.3564 52.0151 19.2577 176.4588 119 C 4.7269 7.5817 114.2425 58.3503 30.0391 174.3298 120 R 4.0654 8.9467 121.6619 59.4187 30.2862 176.8393 121 G 4.0167 7.4532 103.4309 45.6146 0.0000 171.6229 122 I 5.8737 8.3658 118.8585 58.0443 41.6400 174.6165 123 V 4.7629 8.2244 126.2373 60.0381 34.2062 174.3176 124 S 5.6674 8.5136 118.4842 57.9405 65.6080 174.1811 125 G 3.7467 9.0106 108.4014 45.7329 0.0000 174.1279 126 F 4.7840 7.9330 117.9377 56.6947 40.0153 176.9755 127 G 4.0631 8.3276 110.2449 45.8415 0.0000 174.5447 128 P 4.5447 0.0000 0.0000 65.8772 31.2766 178.1492 129 L 3.8393 8.0570 117.5915 57.1294 41.3794 179.4343 130 S 4.2619 8.3577 115.8878 62.1126 62.8341 176.2900 131 Y 4.0834 8.5541 119.1824 60.9399 37.5315 178.5908 132 K 3.6998 7.8497 120.0921 59.3589 32.1656 178.7469 133 L 3.8222 8.0126 119.2668 57.4747 41.5385 179.1499 134 A 4.0422 8.0007 120.8356 55.3492 18.3263 179.7214 135 L 4.0689 8.1116 117.6585 57.8962 41.1578 180.1673 136 V 3.6701 8.1814 119.5731 64.6761 31.1217 177.8416 137 Y 4.0650 7.9231 119.5659 60.6650 38.9725 177.8324 138 L 3.8996 7.9477 119.0755 57.2727 41.5600 179.1818 139 A 3.9645 7.8087 120.1764 55.2013 18.4288 179.1191 140 E 3.9095 7.6666 115.4777 57.7684 29.9797 176.8689 141 T 4.2605 6.5012 116.4750 62.0861 70.7858 175.0925 *142 L 4.1415 8.2938 122.5409 54.6704 41.6354 177.5901 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 M 8.15 4.82 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 2 V 9.42 4.85 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 0.80 0.00 0.00 0.98 0.00 0.00 3 L 9.08 4.53 0.00 1.01 1.13 0.55 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.43 4.80 1.84 0.00 0.00 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 1.31 0.54 1.10 0.00 0.00 5 L 8.82 5.04 0.00 1.52 1.60 1.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.86 5.38 0.00 2.72 2.69 0.00 0.00 6.58 7.71 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 7 G 8.60 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 8 P 0.00 4.56 0.00 2.20 1.95 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 9 N 9.29 4.58 0.00 2.95 2.99 0.00 0.00 7.11 6.18 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 10 L 7.56 4.10 0.00 1.69 1.74 1.06 0.51 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 11 N 8.25 4.43 0.00 2.86 3.19 0.00 0.00 5.98 7.79 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 12 L 7.87 4.51 0.00 1.82 1.69 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.39 3.85 0.00 1.83 1.73 0.62 1.30 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 14 G 8.49 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 15 R 7.57 4.23 0.00 1.73 1.99 0.00 3.33 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 16 R 7.81 4.21 0.00 2.04 2.02 0.00 2.97 0.00 0.00 2.84 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 17 E 8.80 4.11 0.00 2.25 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 0.00 2.16 2.46 0.00 18 P 0.00 4.72 0.00 2.26 2.27 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 19 E 8.14 3.94 0.00 1.97 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 2.31 2.22 0.00 20 V 7.48 3.43 1.84 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 -0.02 0.00 0.00 0.85 0.00 0.00 21 Y 7.86 4.39 0.00 3.14 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 22 G 8.06 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 0.00 0.00 0.00 23 R 8.19 4.53 0.00 1.92 2.05 0.00 3.07 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 24 T 7.80 4.21 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 25 T 8.44 4.55 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 1.25 0.00 0.00 26 L 8.32 3.87 0.00 1.96 1.74 1.19 1.00 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 27 E 8.21 3.79 0.00 1.97 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 2.36 2.40 0.00 28 E 7.95 3.84 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 29 L 8.11 3.69 0.00 1.76 1.46 0.54 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.60 2.84 0.00 1.54 1.12 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 1.89 2.07 0.00 31 A 7.47 3.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.48 3.13 0.00 1.30 0.28 0.53 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.57 4.32 0.00 3.06 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.47 3.88 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 2.23 2.27 0.00 35 A 7.75 3.94 1.12 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 0.00 0.00 36 W 8.08 4.59 0.00 3.44 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 37 G 8.65 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 0.00 0.00 0.00 38 A 8.16 4.02 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 39 E 7.98 4.09 0.00 2.16 2.17 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 2.73 2.40 0.00 40 L 7.86 4.07 0.00 1.65 1.96 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 G 9.06 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.35 4.71 0.00 1.73 1.55 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.85 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 44 V 8.41 5.33 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 0.91 0.00 0.00 1.01 0.00 0.00 45 V 8.81 4.55 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 1.08 0.00 0.00 0.89 0.00 0.00 46 F 8.81 5.09 0.00 3.01 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 47 R 8.43 4.64 0.00 0.85 0.66 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.04 0.00 48 Q 8.49 5.19 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 49 T 9.12 4.89 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 50 N 9.10 4.66 0.00 2.65 2.69 0.00 0.00 6.81 7.46 0.00 0.00 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 Y 8.02 4.52 0.00 2.74 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 52 E 8.88 3.96 0.00 1.98 1.93 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 2.32 2.27 0.00 53 G 8.08 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.77 3.53 0.00 1.74 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.86 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 55 L 7.56 3.92 0.00 1.83 1.60 0.90 0.93 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 56 I 7.73 3.69 1.98 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 1.50 0.54 0.90 0.00 0.00 57 E 8.02 4.12 0.00 1.87 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 2.26 2.31 0.00 58 W 8.07 4.52 0.00 3.51 3.05 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 0.00 0.00 0.00 0.00 59 V 7.64 3.87 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 0.86 0.00 0.00 0.96 0.00 0.00 60 Q 8.26 4.19 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 61 Q 8.13 4.39 0.00 2.50 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 62 A 7.66 4.24 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 63 H 8.28 4.35 0.00 3.49 3.67 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.40 3.91 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.08 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 65 E 8.08 4.17 0.00 2.11 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 2.38 2.37 0.00 66 G 8.12 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 67 F 7.33 4.37 0.00 3.20 3.03 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 68 L 8.55 4.71 0.00 1.69 1.93 0.94 1.23 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 69 A 7.78 4.79 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 70 I 8.49 4.88 1.86 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 1.04 0.84 0.91 0.00 0.00 71 V 8.75 4.59 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 0.93 0.00 0.00 0.98 0.00 0.00 72 L 9.30 4.97 0.00 1.67 1.39 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.55 5.24 0.00 2.63 2.77 0.00 0.00 6.83 7.73 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 74 P 0.00 4.43 0.00 2.34 2.20 0.00 3.61 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 75 G 8.59 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 76 A 8.65 4.24 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.93 3.13 0.00 1.66 1.40 0.81 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.70 3.68 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 1.25 0.00 0.00 79 H 8.12 5.11 0.00 3.51 3.60 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.14 4.64 0.00 2.94 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 81 S 7.72 4.21 0.00 3.46 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 82 Y 8.21 4.29 0.00 3.16 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 83 A 8.04 4.03 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 84 L 7.86 3.91 0.00 1.68 1.72 0.85 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.67 3.95 0.00 1.79 2.00 1.05 1.69 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 86 D 8.20 4.40 0.00 2.85 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 87 A 8.07 4.15 1.38 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 0.00 0.00 0.00 88 I 7.82 3.66 1.88 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 1.52 1.21 0.99 0.00 0.00 89 R 8.00 4.14 0.00 1.86 1.99 0.00 3.38 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 90 A 7.52 4.56 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 91 Q 7.03 4.60 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 92 P 0.00 4.53 0.00 2.19 2.17 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.84 0.00 93 L 7.96 4.38 0.00 1.71 1.70 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.48 0.00 2.20 2.24 0.00 3.83 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 2.13 2.02 0.00 95 V 8.41 4.94 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 1.00 0.00 0.00 0.98 0.00 0.00 96 V 8.75 4.67 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 0.85 0.00 0.00 0.97 0.00 0.00 97 E 8.70 4.80 0.00 2.05 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 98 V 8.40 4.92 1.71 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 -0.14 0.00 0.00 0.69 0.00 0.00 99 H 8.85 5.02 0.00 3.15 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.27 4.48 0.00 1.94 1.97 1.12 0.85 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 0.00 101 T 7.86 4.59 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 102 N 8.16 4.46 0.00 2.59 2.67 0.00 0.00 6.86 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.32 3.89 0.00 1.39 1.69 0.68 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.30 4.55 0.00 3.19 3.29 0.00 5.80 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 0.00 105 A 7.83 4.68 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 0.00 106 R 7.25 4.80 0.00 1.57 1.64 0.00 3.06 0.00 0.00 3.08 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 107 E 8.42 3.91 0.00 1.16 1.66 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 2.58 2.37 0.00 108 E 8.77 3.87 0.00 2.00 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 2.38 2.35 0.00 109 F 7.90 4.25 0.00 3.26 3.25 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 0.00 110 R 6.48 3.43 0.00 1.48 1.72 0.00 2.92 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.00 111 R 7.57 4.02 0.00 1.86 2.00 0.00 3.07 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 112 H 7.62 4.87 0.00 3.36 3.39 0.00 5.23 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.53 5.04 0.00 3.84 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 0.00 114 V 8.24 3.90 1.64 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 0.25 0.00 0.00 0.61 0.00 0.00 115 T 7.66 4.16 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 0.00 116 A 8.34 4.01 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 0.00 117 P 0.00 4.22 0.00 2.08 2.16 0.00 3.78 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 2.07 2.11 0.00 118 A 7.70 4.51 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 0.00 119 C 7.58 4.73 0.00 3.10 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 0.00 120 R 8.95 4.07 0.00 1.77 1.85 0.00 3.47 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 1.72 1.86 0.00 121 G 7.45 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 0.00 122 I 8.37 5.87 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.89 0.91 0.00 0.00 123 V 8.22 4.76 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.09 0.00 0.00 124 S 8.51 5.67 0.00 4.07 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 0.00 125 G 9.01 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 0.00 126 F 7.93 4.78 0.00 3.33 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 0.00 127 G 8.33 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.54 0.00 2.47 2.34 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 129 L 8.06 3.84 0.00 1.90 1.59 0.97 0.60 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 0.00 130 S 8.36 4.26 0.00 4.07 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 0.00 131 Y 8.55 4.08 0.00 3.49 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 0.00 132 K 7.85 3.70 0.00 0.79 1.06 0.00 1.10 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.98 0.21 7.81 133 L 8.01 3.82 0.00 1.59 1.55 0.27 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.00 4.04 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 0.00 135 L 8.11 4.07 0.00 1.92 1.82 1.20 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 0.00 136 V 8.18 3.67 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 0.82 0.00 0.00 0.90 0.00 0.00 137 Y 7.92 4.06 0.00 2.97 3.22 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 0.00 138 L 7.95 3.90 0.00 2.05 1.70 1.08 1.12 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 0.00 139 A 7.81 3.96 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 0.00 140 E 7.67 3.91 0.00 1.93 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 2.22 2.27 0.00 141 T 6.50 4.26 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 1.07 0.00 0.00 *142 L 8.29 4.14 0.00 1.41 1.48 0.92 0.75 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 * Residues marked with a * may have inaccurate shift predictions.