NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 F 4.6187 8.4245 122.8306 58.0039 40.5318 174.5263 -1 Q 4.1993 8.9237 125.9999 52.3140 30.3068 167.5735 0 G 3.6595 8.8462 116.9475 43.6633 0.0000 173.4846 0 I 3.8695 8.5162 128.0475 59.6633 34.6682 174.9846 3 K 4.5618 8.7070 123.3973 54.7418 35.1624 174.9800 4 V 4.3683 8.5060 128.9898 61.7955 32.9466 174.1220 5 N 5.2718 9.3159 126.4160 51.6758 40.5347 174.4769 6 V 4.5529 8.1846 122.6693 61.0664 35.4183 174.5267 *8 Y 4.5001 8.1828 120.1315 57.0338 39.1908 173.0557 9 P 4.8946 0.0000 0.0000 62.8661 32.2202 175.8453 10 Y 4.3314 8.8613 126.1527 57.8655 39.6720 175.2475 11 T 4.2375 7.5635 121.8560 61.2530 72.2923 172.8359 12 E 3.6220 8.4804 127.1196 57.9713 29.7333 177.2052 13 G 3.8755 8.8576 113.5914 45.2973 0.0000 173.1585 14 A 4.1177 7.6342 123.3153 51.4062 19.0491 177.4544 15 R 3.9974 8.3408 122.9592 56.0492 30.7390 176.0916 16 F 4.2932 8.3351 127.2272 56.1142 40.7909 174.0583 17 D 4.6380 8.5223 129.8933 53.1669 40.0188 175.7902 18 H 4.4744 8.7075 123.0547 58.5155 29.0109 176.9006 19 A 4.0611 8.1224 121.9715 55.3799 18.3130 178.7842 20 Y 3.8482 8.2477 117.8165 60.8840 37.7148 177.5804 21 Y 3.7686 8.1119 120.3474 60.8791 38.6454 177.8851 22 C 4.0899 7.9662 117.8375 62.6483 31.8604 174.9083 23 D 4.4841 8.3294 119.4675 56.0598 40.4850 177.3621 24 R 4.2753 7.4354 115.2288 57.8106 32.0484 177.0122 25 H 4.3556 6.7434 112.9808 57.0609 29.4956 173.6012 *27 P 4.2614 0.0000 0.0000 62.4497 32.8970 178.4753 *29 V 3.8915 7.7980 119.4302 62.8442 33.1704 177.3994 30 K 4.0044 7.9602 119.5101 59.4334 31.8049 178.3044 31 A 3.9904 7.8688 120.0764 55.3767 18.3720 179.5826 32 R 3.8301 7.7435 114.9059 59.2234 30.6418 178.7687 33 L 4.0342 8.3311 119.3343 55.5133 41.8454 178.5990 34 G 3.8077 8.9779 107.9148 46.6520 0.0000 177.0287 35 S 4.2690 8.8454 118.7430 59.8597 63.0098 175.0646 36 A 4.1762 7.7849 123.4575 53.9979 18.2965 176.8777 37 C 4.8365 7.7646 115.6014 57.3403 34.3853 173.4806 38 A 4.4177 9.1013 130.2313 54.9251 18.4217 176.7228 39 Y 5.0231 7.3635 111.3333 56.3528 41.4797 172.5387 40 Y 5.5062 8.4073 117.5047 55.4109 41.6277 174.6124 41 T 4.8654 8.7360 109.2800 60.0476 72.4775 172.9585 42 V 4.9701 8.3771 121.8922 61.3837 34.4449 174.0644 43 E 4.8761 8.8179 123.1358 54.6477 33.5978 173.7755 44 K 4.8891 8.5421 121.7296 54.1099 34.1707 176.1415 45 G 3.8374 8.7456 116.0846 45.3110 0.0000 172.5756 46 L 4.4330 8.3258 122.4527 55.8068 43.8490 176.3652 47 A 4.5097 7.4494 117.1237 51.4112 21.9725 176.0890 48 G 4.0977 8.0782 109.7681 44.5685 0.0000 173.7844 49 S 4.1131 8.7169 113.2123 61.3301 63.5839 174.8422 50 A 4.2258 7.6445 123.8672 50.6955 18.9533 176.6095 51 S 4.2677 8.4269 116.5226 59.8644 63.1207 175.2752 52 G 3.8233 8.9010 112.3887 45.6603 0.0000 173.0686 53 A 4.1608 7.6911 123.8769 50.6668 19.0783 176.3647 54 P 4.4544 0.0000 0.0000 61.2281 32.2820 174.4574 55 P 4.3148 0.0000 0.0000 62.1956 32.3187 176.4680 56 A 3.8440 8.4646 122.5491 54.2878 18.4199 177.7452 57 F 5.4714 7.6242 114.6542 55.3614 41.6087 176.7510 58 V 3.6819 8.7547 125.6638 64.5314 31.3925 175.5426 59 A 4.8018 7.4854 119.7614 51.2369 21.9176 173.9573 *61 C 4.6600 8.2867 112.2655 58.5032 31.5997 172.7383 62 A 5.0445 8.2789 119.6839 50.2194 22.6770 175.1376 63 F 4.9436 8.8797 120.0934 55.8040 41.5970 174.8102 64 I 4.6863 8.3286 126.3327 60.4375 38.0420 175.0742 65 C 5.1079 8.2972 123.8112 58.0356 31.4182 174.3663 66 D 4.4719 8.9063 121.1483 56.3998 41.2445 177.3875 67 S 4.5192 7.8417 112.7438 55.4564 65.3691 173.8381 68 A 3.8930 8.8026 131.5308 55.1689 18.2379 178.6209 69 E 4.0847 8.2959 117.2309 59.8565 29.9323 178.7888 70 N 4.4182 8.3182 116.3490 56.0140 38.2839 177.3495 71 F 3.9599 7.9257 121.3903 61.5373 39.6237 176.5116 72 Y 4.3519 7.8629 114.7878 61.0284 37.9719 178.1038 73 A 4.2908 8.4023 121.5683 55.0370 18.4416 180.0051 74 A 3.9989 7.6967 115.8129 52.9889 17.6155 178.7370 *76 Y 4.4557 7.7884 122.3808 59.3906 40.4590 177.0611 77 Y 3.9151 8.0144 115.6913 60.7500 38.1277 176.7004 78 H 4.8265 8.3748 114.9539 55.5426 29.5002 176.8391 79 G 3.5587 7.7809 108.3460 47.7013 0.0000 175.8049 80 A 3.9457 7.9217 122.7571 55.0858 18.1633 179.2603 81 E 3.8847 8.0119 115.5157 59.3850 30.0258 178.6298 82 I 3.9460 7.9856 119.9426 64.5975 37.1378 178.5362 83 L 4.2114 8.6190 120.2877 57.6943 41.2205 179.7699 84 G 3.6987 8.3187 104.8506 46.9980 0.0000 174.3379 85 D 4.7130 8.0131 119.0681 55.4878 41.5017 178.1739 86 I 3.1781 7.5779 120.3856 64.5419 36.8998 177.9359 87 A 4.1475 7.6261 120.8039 54.0907 18.2497 178.7012 88 N 4.1894 7.6869 113.8525 55.0276 38.8030 175.2743 89 Y 4.4074 6.8465 116.2515 56.9732 40.1469 174.8592 90 T 4.4462 6.8751 112.7372 61.5290 70.4682 172.9415 91 D 4.8178 8.3506 123.3443 53.9219 41.6019 176.6539 92 I 3.9829 7.7631 121.5216 60.7169 37.7171 175.3277 93 A 4.4283 8.5704 128.7998 50.5844 19.1428 175.3383 94 P 4.4043 0.0000 0.0000 61.9989 32.5271 175.8866 95 V 3.9015 8.0471 119.9978 62.7396 32.1669 174.9701 96 L 5.0131 8.4859 127.4170 53.0511 44.0969 175.6032 97 Q 4.5764 8.9573 123.7916 54.4009 33.1221 172.9513 98 I 4.8161 8.4029 124.9140 59.3783 40.0347 174.6207 99 S 4.7472 8.8764 124.7712 56.3861 67.0474 172.6758 100 E 4.1456 8.3290 123.4033 55.4305 30.2652 176.2594 101 V 3.7390 8.3774 127.2009 62.8076 31.8819 175.4643 102 V 3.8082 8.4932 127.4667 64.6470 31.8837 176.0714 103 V 4.2982 7.3953 119.6106 60.7010 33.1772 174.4016 104 E 4.1477 9.0579 128.9622 58.6752 30.0246 177.2934 105 R 4.5983 7.6307 113.6694 54.7750 32.0914 175.6498 106 S 4.1581 8.9356 117.7713 61.3127 62.9374 175.1183 107 D 4.5363 8.0246 118.0964 54.4039 39.7700 176.2676 108 R 4.2027 7.6778 123.8360 56.4305 30.6670 175.1082 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 F 8.42 4.62 0.00 3.00 3.08 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 0.00 0.00 0.00 -1 Q 8.92 4.20 0.00 2.17 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.10 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 0 G 8.85 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0 I 8.52 3.87 1.87 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 0.34 0.91 0.00 0.00 3 K 8.71 4.56 0.00 1.70 1.57 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.25 7.81 4 V 8.51 4.37 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 0.92 0.00 0.00 -0.03 0.00 0.00 5 N 9.32 5.27 0.00 2.53 2.57 0.00 0.00 5.97 7.58 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 6 V 8.18 4.55 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 0.62 0.00 0.00 1.19 0.00 0.00 *8 Y 8.18 4.50 0.00 2.93 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 9 P 0.00 4.89 0.00 2.02 2.03 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 10 Y 8.86 4.33 0.00 2.95 2.99 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 11 T 7.56 4.24 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 1.11 0.00 0.00 12 E 8.48 3.62 0.00 1.91 1.83 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 2.32 2.38 0.00 13 G 8.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.63 4.12 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.34 4.00 0.00 1.74 1.78 0.00 3.13 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 16 F 8.34 4.29 0.00 2.92 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 17 D 8.52 4.64 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.71 4.47 0.00 3.36 3.51 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.12 4.06 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 20 Y 8.25 3.85 0.00 3.33 3.16 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 21 Y 8.11 3.77 0.00 2.62 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 22 C 7.97 4.09 0.00 3.09 3.08 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 0.00 0.00 0.00 23 D 8.33 4.48 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.44 4.28 0.00 0.68 1.39 0.00 3.16 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.70 0.00 25 H 6.74 4.36 0.00 3.33 3.26 0.00 5.98 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 P 0.00 4.26 0.00 2.20 2.10 0.00 3.53 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 2.16 2.14 0.00 *29 V 7.80 3.89 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 0.98 0.00 0.00 0.84 0.00 0.00 30 K 7.96 4.00 0.00 2.10 2.10 0.00 1.87 0.00 0.00 2.25 0.00 0.00 3.37 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.83 1.73 7.81 31 A 7.87 3.99 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 32 R 7.74 3.83 0.00 1.78 1.58 0.00 3.21 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 33 L 8.33 4.03 0.00 1.80 1.69 0.58 0.66 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 34 G 8.98 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 0.00 0.00 0.00 35 S 8.85 4.27 0.00 4.02 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 36 A 7.78 4.18 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 37 C 7.76 4.84 0.00 3.01 2.92 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 38 A 9.10 4.42 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 39 Y 7.36 5.02 0.00 2.90 2.99 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 40 Y 8.41 5.51 0.00 2.73 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 41 T 8.74 4.87 4.29 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 1.35 0.00 0.00 42 V 8.38 4.97 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 1.04 0.00 0.00 1.00 0.00 0.00 43 E 8.82 4.88 0.00 2.05 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 2.30 2.33 0.00 44 K 8.54 4.89 0.00 1.67 1.71 0.00 1.69 0.00 0.00 1.36 0.00 0.00 2.70 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.30 7.81 45 G 8.75 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 46 L 8.33 4.43 0.00 1.58 1.66 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.45 4.51 1.14 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 0.00 0.00 48 G 8.08 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 0.00 0.00 0.00 0.00 49 S 8.72 4.11 0.00 3.97 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 50 A 7.64 4.23 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 51 S 8.43 4.27 0.00 3.86 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 52 G 8.90 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 53 A 7.69 4.16 1.24 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 0.00 0.00 54 P 0.00 4.45 0.00 1.35 1.67 0.00 3.71 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 1.89 1.96 0.00 55 P 0.00 4.31 0.00 2.30 2.06 0.00 2.96 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 56 A 8.46 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.62 5.47 0.00 3.11 3.18 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 58 V 8.75 3.68 2.27 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 0.72 0.00 0.00 1.03 0.00 0.00 59 A 7.49 4.80 0.26 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 *61 C 8.29 4.66 0.00 3.03 3.27 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 62 A 8.28 5.04 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 63 F 8.88 4.94 0.00 2.66 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 64 I 8.33 4.69 0.66 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.39 0.61 0.00 0.00 65 C 8.30 5.11 0.00 2.71 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 66 D 8.91 4.47 0.00 2.69 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 67 S 7.84 4.52 0.00 3.84 3.69 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 68 A 8.80 3.89 1.46 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 0.00 0.00 0.00 69 E 8.30 4.08 0.00 2.15 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 2.46 2.49 0.00 70 N 8.32 4.42 0.00 2.85 2.90 0.00 0.00 6.74 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 71 F 7.93 3.96 0.00 2.92 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 72 Y 7.86 4.35 0.00 3.08 2.94 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 73 A 8.40 4.29 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 74 A 7.70 4.00 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 *76 Y 7.79 4.46 0.00 2.96 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 77 Y 8.01 3.92 0.00 2.97 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 78 H 8.37 4.83 0.00 3.27 3.25 0.00 5.63 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 79 G 7.78 3.56 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 0.00 0.00 0.00 80 A 7.92 3.95 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 81 E 8.01 3.88 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 82 I 7.99 3.95 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 1.01 0.00 0.00 83 L 8.62 4.21 0.00 1.72 1.74 0.94 1.00 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 84 G 8.32 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.01 4.71 0.00 3.05 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 86 I 7.58 3.18 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.94 0.60 0.00 0.00 87 A 7.63 4.15 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 88 N 7.69 4.19 0.00 2.52 1.94 0.00 0.00 6.75 7.01 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 89 Y 6.85 4.41 0.00 2.86 3.01 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 0.00 0.00 0.00 90 T 6.88 4.45 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 91 D 8.35 4.82 0.00 2.63 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 92 I 7.76 3.98 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 1.16 0.00 0.00 93 A 8.57 4.43 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 94 P 0.00 4.40 0.00 1.74 0.73 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 95 V 8.05 3.90 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 0.82 0.00 0.00 1.10 0.00 0.00 96 L 8.49 5.01 0.00 1.56 1.59 0.97 0.90 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 97 Q 8.96 4.58 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 98 I 8.40 4.82 1.90 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 1.27 0.93 0.99 0.00 0.00 99 S 8.88 4.75 0.00 3.66 3.60 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 0.00 100 E 8.33 4.15 0.00 1.29 1.61 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 2.27 2.36 0.00 101 V 8.38 3.74 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 0.84 0.00 0.00 0.90 0.00 0.00 102 V 8.49 3.81 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 0.84 0.00 0.00 0.93 0.00 0.00 103 V 7.40 4.30 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 0.91 0.00 0.00 0.94 0.00 0.00 104 E 9.06 4.15 0.00 2.02 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 0.00 105 R 7.63 4.60 0.00 1.99 1.99 0.00 3.00 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 106 S 8.94 4.16 0.00 4.00 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 0.00 107 D 8.02 4.54 0.00 2.80 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 0.00 108 R 7.68 4.20 0.00 1.78 1.81 0.00 3.17 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.