NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3795 0.0000 0.0000 62.3561 33.4816 176.8857 3 L 4.0593 7.7170 118.7853 51.5237 42.2722 174.1799 4 P 4.4201 0.0000 0.0000 62.0519 33.1064 174.1939 5 P 4.5219 0.0000 0.0000 63.2506 33.0069 174.7501 6 D 5.4429 8.7090 122.4878 53.6133 42.5309 175.6095 7 I 4.9376 8.9451 116.1904 59.7479 42.0146 173.4314 8 T 4.8346 8.2392 116.4156 61.0782 71.3199 171.7747 9 F 5.1520 8.4547 120.0748 54.3875 43.2463 174.8533 10 D 4.7410 8.5294 121.1395 52.1661 41.1459 177.5483 11 S 4.1614 8.0555 113.3755 61.6065 62.5755 176.6116 12 L 4.0214 7.9733 121.9085 57.5410 41.2035 179.1329 13 A 4.1148 8.1106 119.8504 54.7085 18.4436 179.1722 14 L 3.7453 7.9488 118.3604 58.2475 42.2516 178.7009 15 I 4.1919 7.6828 118.5075 64.4028 37.6902 179.9744 16 K 4.2803 7.8426 120.1809 56.4336 31.6356 178.2630 *18 H 4.7062 8.1359 115.3968 54.9879 30.7770 174.3550 19 S 4.3680 7.7059 114.3732 57.9871 63.5220 174.2701 20 Q 4.1932 8.9717 121.7561 59.5093 28.4643 181.1164 21 S 4.3638 7.7606 111.6109 57.9533 62.5339 175.5063 *23 K 4.3468 8.2567 121.4533 57.6223 34.1154 178.5390 24 K 3.9739 7.9568 118.7656 59.4121 32.1595 178.6968 25 I 3.6976 7.7204 119.6620 64.2418 37.0170 177.7240 26 L 3.9116 7.9378 120.5646 58.3083 41.7512 178.4099 27 E 3.9181 8.2328 118.9495 59.5024 29.6888 178.9209 28 I 3.7813 8.2778 120.1826 64.6231 37.2781 178.4801 29 T 4.3500 8.6725 116.9904 66.9444 68.1222 176.6721 30 L 4.1360 8.2799 119.9472 57.6640 41.6780 179.0849 31 A 4.1902 7.8455 119.8920 53.9414 18.4953 177.9852 32 K 4.3442 7.8823 113.6737 56.2766 33.7540 176.6038 33 F 5.1470 8.2061 117.1943 55.8882 43.4921 174.4785 34 T 4.4210 8.8437 118.2009 62.8600 69.9290 174.1397 35 V 4.7081 8.6397 127.3667 61.6770 33.3600 174.3092 36 N 5.3169 9.0134 127.5979 51.8498 39.0230 173.9120 37 L 4.4753 8.8540 124.8836 52.7941 43.8301 176.6981 38 S 4.5019 8.5523 118.3332 57.9354 63.2180 174.6298 39 I 3.7437 8.5312 126.9431 64.3079 37.5318 178.5147 40 V 3.8332 7.8950 119.2731 66.1567 31.3064 178.0965 41 T 3.8760 7.8843 115.1407 66.5224 68.2317 176.5287 42 V 3.5757 7.8340 120.1917 66.2322 31.5921 177.5150 43 Y 4.2233 8.3542 119.4198 60.8579 38.1849 178.1355 44 R 3.2936 7.8472 119.0402 58.8692 30.0872 178.3944 45 Y 3.9790 8.1927 119.6022 60.7854 38.7984 178.1898 46 L 4.0702 8.4643 119.8212 57.4430 41.5936 179.5571 47 T 3.8688 7.8763 116.3051 66.5683 68.4145 176.4829 48 V 3.5198 7.2292 119.2541 66.1768 31.4659 178.1718 49 R 3.8108 7.6249 117.3907 59.3104 29.8703 179.0079 50 A 3.9955 8.3884 120.8226 55.0989 18.1194 179.0241 51 Y 4.0151 8.0785 117.6967 60.6146 38.9191 177.4203 52 L 4.2184 7.8373 116.8758 53.9302 41.8137 176.7730 53 K 3.8498 7.7755 117.1453 57.3615 29.9568 176.0697 54 K 4.2784 8.0432 118.4691 55.8975 33.2005 178.1271 55 N 4.6861 8.2286 118.6888 52.5912 37.4464 174.7584 56 I 3.9063 7.9013 120.7379 63.3664 38.2081 178.0101 57 E 3.9457 8.1382 120.0410 59.0484 28.8793 178.7445 58 L 3.9594 8.0339 119.9444 58.3689 42.1734 178.9651 59 E 4.0582 8.6380 118.9395 59.2526 29.3402 178.8558 60 L 4.0060 8.5820 120.8044 58.5707 41.8364 178.8619 61 D 4.3219 7.8735 117.3228 57.1776 40.9979 178.7865 62 V 3.7123 7.5432 117.6866 65.9257 31.6402 177.7683 63 L 4.0247 8.0468 118.8427 58.2261 41.3680 179.6111 64 K 3.9105 8.5205 116.9425 59.7350 32.0173 178.1320 65 D 4.5239 8.0339 117.2295 55.7056 41.4213 176.8626 66 I 4.1246 7.5330 110.2904 60.7512 38.9309 174.7117 67 Y 5.0476 7.5412 118.3528 55.9959 40.9359 175.4666 68 N 4.6126 9.0786 122.0684 53.4279 39.7435 173.8491 69 I 4.6842 8.3312 128.1658 60.1826 38.5485 175.7911 70 V 4.1699 9.1051 129.2883 60.7341 32.3761 173.8032 71 P 4.7100 0.0000 0.0000 62.2226 32.5045 176.4417 72 L 4.1557 8.3860 123.7579 54.4092 41.6095 175.7501 73 N 5.0056 7.9877 125.3496 50.8976 41.2005 174.5738 74 E 3.8999 8.4664 118.3852 59.9170 29.3752 179.2894 75 E 3.8960 7.9955 117.9952 59.4762 29.5392 179.3635 76 I 3.5245 8.1287 119.9949 63.8492 37.1032 178.3428 77 A 3.9369 7.8925 121.8532 55.0508 18.1208 179.5876 78 I 3.5662 7.8946 118.5637 64.4926 37.1478 178.4859 79 K 3.8618 7.8011 119.7401 59.5801 31.9532 178.6823 80 A 3.8758 8.4539 121.2192 54.8529 18.1734 179.4458 81 A 3.8720 8.5150 119.7103 55.3333 18.4799 179.8979 82 Q 3.8561 8.2290 116.6459 59.3482 28.8349 178.5451 83 I 2.5834 7.6370 120.7795 64.5923 36.8750 177.9947 84 E 3.8554 8.1531 119.1700 59.0618 29.5798 178.5557 85 A 4.1851 8.1665 122.8970 56.0436 18.5875 179.7959 86 D 4.6121 7.9345 118.0855 58.2105 39.8091 180.0150 87 L 4.5889 7.8696 117.9355 55.4874 41.6124 178.6167 *89 R 4.4584 7.8136 115.9357 55.9085 31.6823 176.2626 90 K 4.5666 7.8835 113.8528 56.2428 34.1746 176.5041 91 G 3.7200 8.2151 105.9691 45.5823 0.0000 172.0838 *94 P 4.1775 0.0000 0.0000 61.7193 32.6303 176.3300 95 D 4.4954 8.1786 119.0010 54.0426 42.6753 177.4967 96 I 3.6763 8.3385 124.7348 64.6480 37.2550 178.1412 97 E 3.9658 8.2219 119.3283 59.5051 29.4304 178.2331 98 D 4.5627 8.1296 118.1753 57.6225 40.8956 178.9672 99 V 3.6045 7.8601 118.3632 66.1670 31.5568 178.0906 100 L 4.1295 8.1155 118.5272 57.6446 41.4150 179.7193 101 T 3.8427 8.1669 115.8491 66.4823 68.3823 176.6370 102 A 3.9411 8.5703 122.8379 55.2059 18.4683 179.5569 103 A 3.9569 8.4088 119.7002 55.6671 18.3769 180.0396 104 T 3.8741 8.0068 114.0977 66.6407 68.3941 176.8817 105 A 3.9644 8.0835 122.8596 55.1021 18.2433 179.7814 106 I 3.6706 8.1567 118.8144 64.7351 36.9677 178.1015 107 Y 3.9801 8.1059 119.6643 60.3312 38.7493 177.1378 108 T 4.1608 8.1817 108.7162 60.9461 69.8247 174.2001 109 K 3.7481 7.5320 121.7056 57.7275 30.9134 174.9618 110 S 4.9015 8.0721 113.5126 56.3450 64.8465 174.8474 111 L 4.0127 8.4156 127.3125 55.0838 43.1423 175.3266 112 L 4.4124 8.8026 129.9440 54.1640 42.9364 175.0544 113 I 4.3876 7.6822 127.9444 60.0293 38.9169 174.8434 114 T 4.5546 8.0113 119.4050 61.4265 70.4700 173.5603 115 D 4.6507 8.9183 124.6492 55.2365 42.2340 176.0689 116 D 4.9870 8.1334 118.4176 52.5122 41.4679 176.4939 117 S 4.4125 8.0320 118.7250 61.6098 62.8526 176.6528 118 K 4.0832 8.0906 121.1043 59.7625 32.1114 179.0600 119 R 3.8362 7.8249 118.9006 58.6828 30.0074 176.9914 120 Y 4.5936 7.5224 115.9379 58.5102 38.3767 177.3567 121 E 4.2282 7.5864 119.3895 60.4571 30.1648 183.5361 122 P 4.6417 0.0000 0.0000 62.4896 30.8554 178.5227 *124 R 4.7204 8.4496 117.1567 56.3247 31.6305 180.0587 125 R 4.0397 7.9119 113.6391 58.7834 29.0110 177.2373 126 F 4.4767 7.7252 114.4334 57.8932 39.2903 176.0651 127 G 4.0374 8.5501 109.9413 44.7599 0.0000 173.2666 128 L 4.1936 7.9946 122.4963 54.8449 43.4065 175.1424 129 D 5.0743 8.7209 125.8249 53.0323 43.4839 175.4722 130 T 5.2799 7.8989 113.2978 58.6607 72.0686 171.2151 *132 P 4.4653 0.0000 0.0000 62.5577 32.8815 177.1190 133 L 4.0902 8.7141 124.0497 58.5014 42.0167 179.2805 134 D 4.4420 8.1930 118.5317 56.5726 39.2169 178.4407 135 K 3.9957 8.0223 120.5014 58.9417 32.3017 178.4752 136 F 4.1161 8.3774 121.0771 61.2153 39.2634 177.1767 137 V 3.4981 8.3642 118.2996 66.1275 31.3569 178.1432 138 K 3.9411 8.0051 117.9517 59.4840 31.5806 179.2122 139 E 3.9731 7.7462 118.2076 59.0707 29.4718 179.0961 140 V 3.6441 7.3408 117.5665 65.8614 31.7847 177.5140 141 E 4.1379 8.3372 118.6789 59.2943 29.3113 180.2749 142 L 4.2226 7.7239 118.6060 55.5338 42.4607 178.8752 *144 V 3.9521 7.7507 117.5720 62.5633 33.1749 176.8230 145 E 3.9704 8.3125 117.8674 59.6352 29.5030 178.7927 146 K 4.0920 8.1025 116.7719 59.4255 32.2452 178.5618 147 E 4.0843 8.1551 115.3259 58.2718 30.0799 176.5743 148 L 4.2576 7.8465 123.4477 54.6446 41.8143 176.0473 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 2 P 0.00 4.38 0.00 2.19 2.24 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 L 7.72 4.06 0.00 1.75 1.65 0.93 0.73 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 4 P 0.00 4.42 0.00 2.09 2.03 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 5 P 0.00 4.52 0.00 2.53 2.18 0.00 3.59 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 6 D 8.71 5.44 0.00 2.72 2.58 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 7 I 8.95 4.94 1.28 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.74 0.56 0.00 0.00 8 T 8.24 4.83 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 0.99 0.00 0.00 9 F 8.45 5.15 0.00 2.74 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 10 D 8.53 4.74 0.00 3.00 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 11 S 8.06 4.16 0.00 4.13 4.17 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 12 L 7.97 4.02 0.00 1.76 1.79 0.93 0.74 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 13 A 8.11 4.11 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.95 3.75 0.00 1.66 1.83 0.49 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.68 4.19 2.10 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 1.47 0.91 0.93 0.00 0.00 16 K 7.84 4.28 0.00 1.92 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.61 7.81 *18 H 8.14 4.71 0.00 3.38 3.56 0.00 5.71 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 19 S 7.71 4.37 0.00 4.04 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 20 Q 8.97 4.19 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.80 0.00 0.00 0.00 0.00 0.00 2.38 1.95 0.00 21 S 7.76 4.36 0.00 3.99 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 *23 K 8.26 4.35 0.00 1.96 1.93 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.01 7.81 24 K 7.96 3.97 0.00 1.87 1.80 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.59 7.81 25 I 7.72 3.70 1.90 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 1.52 0.45 0.99 0.00 0.00 26 L 7.94 3.91 0.00 1.68 1.82 0.80 0.64 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 27 E 8.23 3.92 0.00 2.17 2.13 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 2.31 2.35 0.00 28 I 8.28 3.78 1.92 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 1.87 1.14 0.94 0.00 0.00 29 T 8.67 4.35 4.61 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 1.68 0.00 0.00 30 L 8.28 4.14 0.00 1.73 1.72 0.76 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.85 4.19 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 32 K 7.88 4.34 0.00 1.52 1.25 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.32 7.81 33 F 8.21 5.15 0.00 3.20 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 34 T 8.84 4.42 4.46 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 0.00 0.00 0.00 1.33 0.00 0.00 35 V 8.64 4.71 2.54 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 1.19 0.00 0.00 1.25 0.00 0.00 36 N 9.01 5.32 0.00 2.61 2.78 0.00 0.00 7.03 8.71 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 37 L 8.85 4.48 0.00 1.44 1.44 0.14 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.55 4.50 0.00 3.84 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 39 I 8.53 3.74 1.97 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 1.42 1.32 0.96 0.00 0.00 40 V 7.90 3.83 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 1.12 0.00 0.00 0.99 0.00 0.00 41 T 7.88 3.88 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 1.23 0.00 0.00 42 V 7.83 3.58 2.31 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 1.16 0.00 0.00 0.96 0.00 0.00 43 Y 8.35 4.22 0.00 3.07 3.15 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 44 R 7.85 3.29 0.00 1.73 1.74 0.00 2.56 0.00 0.00 2.76 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.87 0.00 45 Y 8.19 3.98 0.00 3.07 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 46 L 8.46 4.07 0.00 1.83 1.77 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.88 3.87 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 1.17 0.00 0.00 48 V 7.23 3.52 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 0.93 0.00 0.00 0.82 0.00 0.00 49 R 7.62 3.81 0.00 1.88 1.87 0.00 3.10 0.00 0.00 2.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.43 0.00 50 A 8.39 4.00 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 51 Y 8.08 4.02 0.00 3.01 3.17 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 52 L 7.84 4.22 0.00 1.80 1.65 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.78 3.85 0.00 1.85 1.85 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.25 7.81 54 K 8.04 4.28 0.00 1.79 1.86 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.48 7.81 55 N 8.23 4.69 0.00 2.75 2.72 0.00 0.00 6.64 7.90 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 56 I 7.90 3.91 1.92 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 1.66 0.69 0.99 0.00 0.00 57 E 8.14 3.95 0.00 2.09 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 0.00 2.42 2.45 0.00 58 L 8.03 3.96 0.00 1.98 1.83 0.93 0.81 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 59 E 8.64 4.06 0.00 2.10 2.09 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 2.38 2.58 0.00 60 L 8.58 4.01 0.00 1.83 1.92 0.99 1.51 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 61 D 7.87 4.32 0.00 2.91 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 62 V 7.54 3.71 2.25 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 1.02 0.00 0.00 0.94 0.00 0.00 63 L 8.05 4.02 0.00 2.00 1.89 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.52 3.91 0.00 1.96 1.94 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.52 7.81 65 D 8.03 4.52 0.00 2.89 2.67 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 66 I 7.53 4.12 1.51 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.36 0.78 0.00 0.00 67 Y 7.54 5.05 0.00 3.08 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 68 N 9.08 4.61 0.00 2.94 3.04 0.00 0.00 7.18 7.56 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 69 I 8.33 4.68 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.94 0.00 0.00 70 V 9.11 4.17 2.09 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 0.98 0.00 0.00 0.99 0.00 0.00 71 P 0.00 4.71 0.00 1.96 1.97 0.00 3.72 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 2.02 2.09 0.00 72 L 8.39 4.16 0.00 1.56 1.57 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 N 7.99 5.01 0.00 2.94 2.88 0.00 0.00 6.18 7.66 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 74 E 8.47 3.90 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 2.37 2.37 0.00 75 E 8.00 3.90 0.00 1.87 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 2.50 2.49 0.00 76 I 8.13 3.52 1.67 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.14 0.82 0.00 0.00 77 A 7.89 3.94 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 78 I 7.89 3.57 1.85 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 1.39 0.62 0.91 0.00 0.00 79 K 7.80 3.86 0.00 1.89 1.95 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.50 7.81 80 A 8.45 3.88 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 81 A 8.51 3.87 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 82 Q 8.23 3.86 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 83 I 7.64 2.58 1.73 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 1.41 0.64 0.51 0.00 0.00 84 E 8.15 3.86 0.00 1.92 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 2.29 2.30 0.00 85 A 8.17 4.19 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 86 D 7.93 4.61 0.00 2.80 2.60 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 87 L 7.87 4.59 0.00 1.88 1.75 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *89 R 7.81 4.46 0.00 2.30 2.04 0.00 3.27 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 90 K 7.88 4.57 0.00 2.18 1.75 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.24 7.81 91 G 8.22 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 0.00 0.00 0.00 *94 P 0.00 4.18 0.00 2.20 2.10 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 95 D 8.18 4.50 0.00 2.92 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 96 I 8.34 3.68 1.89 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 1.52 0.88 0.93 0.00 0.00 97 E 8.22 3.97 0.00 2.05 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 2.43 2.45 0.00 98 D 8.13 4.56 0.00 2.84 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 99 V 7.86 3.60 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 1.03 0.00 0.00 0.93 0.00 0.00 100 L 8.12 4.13 0.00 1.77 1.70 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.17 3.84 4.53 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 0.00 0.00 0.00 1.16 0.00 0.00 102 A 8.57 3.94 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.41 3.96 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 0.00 104 T 8.01 3.87 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 1.23 0.00 0.00 105 A 8.08 3.96 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 0.00 106 I 8.16 3.67 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 1.03 0.00 0.00 107 Y 8.11 3.98 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 0.00 108 T 8.18 4.16 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 1.35 0.00 0.00 109 K 7.53 3.75 0.00 1.80 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.36 7.81 110 S 8.07 4.90 0.00 3.68 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 0.00 111 L 8.42 4.01 0.00 1.70 1.36 0.90 0.20 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 0.00 112 L 8.80 4.41 0.00 1.50 1.40 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.68 4.39 0.74 0.00 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.32 0.71 0.00 0.00 114 T 8.01 4.55 4.17 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 1.15 0.00 0.00 115 D 8.92 4.65 0.00 2.76 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 0.00 116 D 8.13 4.99 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.41 0.00 3.95 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 0.00 118 K 8.09 4.08 0.00 2.07 2.09 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.06 7.81 119 R 7.82 3.84 0.00 1.97 1.83 0.00 3.26 0.00 0.00 2.77 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.43 0.00 120 Y 7.52 4.59 0.00 3.18 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 0.00 121 E 7.59 4.23 0.00 2.10 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 2.24 0.00 122 P 0.00 4.64 0.00 2.12 2.16 0.00 3.73 0.00 0.00 3.71 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 *124 R 8.45 4.72 0.00 1.76 1.97 0.00 3.34 0.00 0.00 3.35 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 125 R 7.91 4.04 0.00 1.78 1.87 0.00 3.11 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.25 0.00 126 F 7.73 4.48 0.00 3.13 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 0.00 127 G 8.55 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 0.00 128 L 7.99 4.19 0.00 1.86 1.62 0.84 1.22 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 0.00 129 D 8.72 5.07 0.00 2.57 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 0.00 130 T 7.90 5.28 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 1.08 0.00 0.00 *132 P 0.00 4.47 0.00 2.42 2.08 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 133 L 8.71 4.09 0.00 1.82 1.94 1.18 1.56 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 0.00 134 D 8.19 4.44 0.00 2.94 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 0.00 135 K 8.02 4.00 0.00 1.88 2.06 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.52 7.81 136 F 8.38 4.12 0.00 3.14 3.21 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 0.00 137 V 8.36 3.50 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 1.11 0.00 0.00 0.93 0.00 0.00 138 K 8.01 3.94 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.69 7.81 139 E 7.75 3.97 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 2.51 2.47 0.00 140 V 7.34 3.64 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 0.82 0.00 0.00 0.30 0.00 0.00 141 E 8.34 4.14 0.00 2.17 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 2.47 0.00 142 L 7.72 4.22 0.00 1.86 1.84 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *144 V 7.75 3.95 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 0.94 0.00 0.00 0.97 0.00 0.00 145 E 8.31 3.97 0.00 2.12 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 2.35 2.40 0.00 146 K 8.10 4.09 0.00 1.81 1.87 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.38 7.81 147 E 8.16 4.08 0.00 2.06 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 0.00 2.30 2.33 0.00 148 L 7.85 4.26 0.00 1.87 1.60 0.91 0.67 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 * Residues marked with a * may have inaccurate shift predictions.