NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.1853 8.3344 115.2805 57.4628 64.5037 172.9955 -7 D 5.5051 7.5463 119.4406 50.6217 41.1828 173.7904 -6 P 4.2427 0.0000 0.0000 65.7754 32.2405 178.0902 -5 S 5.0332 8.0093 111.3777 59.6624 63.0573 174.6109 -4 S 4.7714 8.6026 117.1021 58.3782 64.3790 176.1589 -3 I 4.4163 7.9062 122.3780 62.8915 37.8476 177.5848 -2 N 4.8450 7.5146 115.3458 51.7790 39.6947 176.5239 -1 G 4.1249 7.7913 107.9744 44.4687 0.0000 172.4427 -7 G 4.8251 7.5363 107.8406 41.5217 0.0000 172.3904 -6 I 3.9927 9.2536 128.6979 63.5755 38.9405 177.1902 -5 V 4.6832 7.7293 114.8777 63.5624 32.1573 176.3109 -4 V 4.4214 8.3226 120.6021 62.2782 33.4790 177.8589 -3 A 4.5663 8.1462 126.2780 54.2915 18.1476 178.9848 -2 M 4.5850 7.3946 116.2458 54.0790 33.6947 177.6239 -1 T 4.5149 7.6113 112.7744 61.1687 67.9741 172.2427 8 G 3.9550 8.6085 110.9724 44.1851 0.0000 171.5557 9 K 3.9584 8.6007 120.8327 57.0678 31.7372 176.8527 10 D 4.6369 8.6851 127.1712 54.6931 38.5865 173.1021 11 C 4.6744 7.1682 111.0990 57.7618 32.6127 172.4811 12 V 5.0215 7.9365 111.9718 59.8227 35.5075 174.8089 13 A 4.6624 8.3705 122.6209 50.2974 22.1587 175.3941 14 I 5.2916 8.2154 120.4661 59.3447 40.7902 174.1995 15 A 4.9615 8.5870 129.6288 50.6477 22.3928 174.2884 16 C 5.3589 8.3428 112.9938 57.0890 32.9968 173.1966 17 D 4.7661 8.5290 120.0678 52.7605 41.3054 175.7881 18 L 5.0510 8.2472 114.6602 53.5708 43.4963 176.7065 19 R 4.5768 8.1994 119.8140 56.2584 31.2596 175.8201 20 L 4.4926 8.8158 126.8757 54.0348 45.1511 174.6968 21 G 4.2849 8.2001 114.5961 44.7551 0.0000 171.7692 22 S 4.5325 8.8039 112.8327 57.1678 63.9056 175.5335 23 Q 3.6843 8.1085 129.8088 56.7485 26.6917 177.2164 24 S 4.1896 8.8004 121.4858 61.4381 63.4492 173.9957 25 L 4.1260 7.7470 124.8532 54.0779 42.0859 176.0105 26 G 4.0009 8.6024 115.8744 45.4669 0.0000 172.6544 27 V 4.1837 8.6636 123.3603 63.5759 33.6541 176.0219 28 S 4.6591 7.6608 112.7476 56.7654 65.2547 173.1618 29 N 4.8403 8.8507 123.1735 52.7576 37.3187 174.8850 30 K 4.5713 8.0522 114.8055 56.5256 34.2247 176.8342 31 F 4.4732 8.4957 125.1912 57.4462 38.8461 174.4482 32 E 4.0410 8.2098 124.2742 55.6659 30.4615 176.6514 33 K 4.3280 8.3606 120.0506 55.9619 34.2854 174.9648 34 I 4.8302 7.1328 120.8581 59.5222 39.3418 174.8592 35 F 4.9906 9.5187 124.5571 55.9959 43.8904 173.2806 36 H 4.9353 7.4435 113.6700 53.3507 32.1409 172.4982 *38 Y 4.6111 7.9246 116.2309 58.8359 38.7405 175.8271 39 G 3.9888 8.0951 117.9119 47.0059 0.0000 172.6504 40 H 4.6508 8.8155 120.4053 55.0369 29.1523 174.4296 41 V 4.1890 7.1962 121.4646 61.8705 33.0098 174.4603 42 F 5.0728 9.2926 126.6503 55.5805 41.9934 174.3147 43 L 5.3476 9.5226 124.9112 53.3715 45.2547 175.1569 44 G 4.5945 9.5969 113.5876 44.6492 0.0000 172.4401 45 I 5.1230 8.8231 123.8915 59.8494 40.5297 175.1231 46 T 4.4926 8.6921 118.0039 60.5007 71.5121 172.8032 47 G 3.8306 8.7778 106.1318 44.0891 0.0000 173.0852 48 L 4.1143 8.9813 124.2344 54.9168 42.6619 178.4384 49 A 4.1422 10.0773 128.5814 55.8825 18.1237 178.9901 50 T 3.8360 8.0033 110.7816 65.6384 67.3566 175.7962 51 D 4.4111 8.1647 120.2882 57.0145 40.9941 178.6018 52 V 3.6326 7.9632 118.8553 66.3903 31.6277 178.0599 53 T 3.8532 8.3306 115.5612 67.0849 68.2923 176.5813 54 T 3.7704 8.0450 117.5109 66.7074 68.5081 176.6843 55 L 3.2936 7.9837 121.1300 57.3477 41.5544 179.0123 56 N 4.3330 7.6884 118.2571 56.2373 38.7366 176.7838 57 E 3.9647 7.9709 119.7998 59.3645 29.3833 179.1847 58 M 3.7307 7.9068 118.6005 58.7387 32.3461 178.4568 59 F 4.4270 7.9678 118.1311 60.1831 38.8730 177.6207 60 R 3.8723 8.0608 118.6457 59.5699 30.0732 177.4598 61 Y 4.0795 7.8060 118.8028 61.0764 38.7288 178.6634 62 K 4.2683 8.7227 119.6171 59.8180 32.2008 179.5753 63 T 4.0506 8.5047 110.2785 64.3704 68.6657 176.6673 64 N 4.3293 8.3605 119.8042 56.4704 38.5595 177.4127 65 L 4.0353 7.8021 119.7280 57.5781 41.5611 179.1412 66 Y 3.9869 7.9925 119.8122 60.6069 38.8409 177.7106 67 K 4.5395 8.3638 122.0092 59.1776 32.0479 178.6817 68 L 4.0120 7.7866 118.1177 57.1453 41.5061 179.2043 69 K 4.1584 7.4055 117.6236 59.0330 32.6589 178.8501 70 E 3.9113 8.1131 116.8274 56.6174 29.5702 176.6819 71 E 3.9042 8.0502 117.5623 56.4792 27.8395 174.2227 72 R 4.4962 7.3847 110.6221 55.3029 31.9306 173.4402 73 A 4.5229 8.4452 122.2449 51.1550 19.5225 177.5607 74 I 3.5380 8.2139 121.6725 61.3940 38.3139 175.7674 75 E 4.6370 8.2756 125.0476 54.0460 32.7434 175.3853 76 P 4.3404 0.0000 0.0000 66.1425 31.4374 178.5291 77 E 3.9441 8.2368 116.3148 60.0962 29.5837 179.5827 78 T 3.8661 7.8869 114.8806 66.4852 68.5335 176.3149 79 F 4.0112 8.6964 122.8525 61.5132 39.3518 176.9883 80 T 3.6023 8.2265 115.7524 67.0478 68.3206 176.3503 81 Q 3.8915 7.8877 119.4222 58.7760 28.5831 179.0291 82 L 3.8316 7.4292 121.0800 57.9510 42.1013 178.9129 83 V 3.2371 7.2619 118.5758 65.8850 31.3071 177.8149 84 S 4.0533 8.0261 112.9903 61.5703 62.1450 176.3920 85 S 4.2045 8.0438 116.8767 61.5473 62.4794 176.5539 86 S 4.1840 8.3241 118.4931 61.2761 62.8165 176.3839 87 L 4.2497 8.2756 121.9123 58.0359 41.5214 178.8897 88 Y 3.8462 8.1624 119.0190 60.0628 38.4122 177.4582 89 E 4.0938 7.9020 119.3857 58.0913 29.9452 177.0329 90 R 4.4441 7.6794 118.3069 55.3786 30.8404 178.0256 91 R 3.2491 7.0481 121.0726 58.7886 29.8335 176.8567 92 F 4.9413 7.6448 115.1907 55.9398 40.1306 175.7863 93 G 4.9277 7.0504 114.8533 45.5516 0.0000 171.2204 94 P 4.0803 0.0000 0.0000 62.4474 32.5111 175.7886 95 Y 4.2530 7.7822 116.6436 57.4910 38.8375 176.8415 96 F 4.6487 8.9501 124.6769 56.4447 37.7470 174.8737 97 V 4.9952 7.8677 114.0658 59.7639 36.5937 175.4374 98 G 4.1547 9.1968 109.5009 43.6289 0.0000 170.3986 99 P 4.9565 0.0000 0.0000 62.8704 32.9849 175.8838 100 V 4.4492 8.9350 121.8793 61.6017 34.9483 173.7189 101 V 5.0967 8.6311 127.4086 61.2859 33.5957 174.5449 102 A 4.7604 9.2302 128.4967 49.9693 22.7920 175.3908 103 G 4.3453 7.9109 108.2438 46.6624 0.0000 171.9835 104 I 4.6262 8.2086 120.3747 58.9335 39.5815 175.7142 105 N 4.9722 8.7409 121.5083 53.4721 38.7735 174.3666 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 -8 S 8.33 4.19 0.00 3.81 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 -7 D 7.55 5.51 0.00 2.77 2.50 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 -6 P 0.00 4.24 0.00 1.24 1.61 0.00 3.20 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 0.77 1.66 0.00 -5 S 8.01 5.03 0.00 4.19 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 -4 S 8.60 4.77 0.00 3.75 3.77 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 -3 I 7.91 4.42 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.87 0.00 0.00 -2 N 7.51 4.84 0.00 2.73 2.70 0.00 0.00 7.52 7.64 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 -1 G 7.79 4.12 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 0.00 -7 G 7.54 4.83 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 0.00 0.00 0.00 -6 I 9.25 3.99 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 1.41 0.84 0.91 0.00 0.00 -5 V 7.73 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 0.52 0.00 0.00 0.93 0.00 0.00 -4 V 8.32 4.42 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 -3 A 8.15 4.57 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 -2 M 7.39 4.58 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 -1 T 7.61 4.51 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 1.21 0.00 0.00 8 G 8.61 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 9 K 8.60 3.96 0.00 1.84 1.72 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.51 7.81 10 D 8.69 4.64 0.00 2.81 2.71 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 11 C 7.17 4.67 0.00 3.19 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 12 V 7.94 5.02 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 0.72 0.00 0.00 0.88 0.00 0.00 13 A 8.37 4.66 1.11 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 0.00 0.00 14 I 8.22 5.29 1.81 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 1.32 0.86 0.73 0.00 0.00 15 A 8.59 4.96 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 16 C 8.34 5.36 0.00 3.10 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 17 D 8.53 4.77 0.00 2.72 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 18 L 8.25 5.05 0.00 1.61 1.81 0.99 0.99 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 19 R 8.20 4.58 0.00 1.85 2.01 0.00 3.21 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 20 L 8.82 4.49 0.00 1.55 1.52 0.76 0.27 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 21 G 8.20 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 0.00 0.00 0.00 0.00 22 S 8.80 4.53 0.00 3.71 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 23 Q 8.11 3.68 0.00 2.24 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 24 S 8.80 4.19 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 25 L 7.75 4.13 0.00 1.68 1.74 0.91 1.05 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 26 G 8.60 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 27 V 8.66 4.18 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 0.78 0.00 0.00 0.96 0.00 0.00 28 S 7.66 4.66 0.00 3.86 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 29 N 8.85 4.84 0.00 2.87 2.88 0.00 0.00 5.91 7.13 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 30 K 8.05 4.57 0.00 1.68 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.50 4.47 0.00 3.19 3.02 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 32 E 8.21 4.04 0.00 1.57 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 2.22 2.36 0.00 33 K 8.36 4.33 0.00 1.65 1.98 0.00 1.77 0.00 0.00 1.96 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.54 1.60 7.81 34 I 7.13 4.83 1.74 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 1.24 0.80 1.02 0.00 0.00 35 F 9.52 4.99 0.00 2.69 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 36 H 7.44 4.94 0.00 1.91 1.78 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.92 4.61 0.00 2.67 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 39 G 8.10 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 40 H 8.82 4.65 0.00 3.34 3.40 0.00 5.52 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.20 4.19 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 0.75 0.00 0.00 0.69 0.00 0.00 42 F 9.29 5.07 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 43 L 9.52 5.35 0.00 2.09 1.82 1.17 1.49 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 44 G 9.60 4.59 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 45 I 8.82 5.12 2.14 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 1.50 1.03 1.04 0.00 0.00 46 T 8.69 4.49 4.32 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 1.29 0.00 0.00 47 G 8.78 3.83 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 0.00 0.00 0.00 48 L 8.98 4.11 0.00 1.86 1.75 0.97 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.08 4.14 1.08 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 0.00 0.00 50 T 8.00 3.84 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 1.29 0.00 0.00 51 D 8.16 4.41 0.00 3.11 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 52 V 7.96 3.63 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 1.41 0.00 0.00 1.22 0.00 0.00 53 T 8.33 3.85 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 1.26 0.00 0.00 54 T 8.05 3.77 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 1.09 0.00 0.00 55 L 7.98 3.29 0.00 1.43 1.36 0.79 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.69 4.33 0.00 1.44 2.42 0.00 0.00 6.82 7.38 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 57 E 7.97 3.96 0.00 2.14 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 2.30 2.43 0.00 58 M 7.91 3.73 0.00 1.46 1.62 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 59 F 7.97 4.43 0.00 2.78 2.50 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 60 R 8.06 3.87 0.00 2.20 2.13 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 61 Y 7.81 4.08 0.00 3.12 3.10 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 62 K 8.72 4.27 0.00 2.00 2.00 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.60 1.65 7.81 63 T 8.50 4.05 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 0.93 0.00 0.00 64 N 8.36 4.33 0.00 2.97 2.86 0.00 0.00 6.86 6.25 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 65 L 7.80 4.04 0.00 1.78 1.74 0.85 0.48 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 66 Y 7.99 3.99 0.00 3.20 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 67 K 8.36 4.54 0.00 2.11 2.00 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.59 7.81 68 L 7.79 4.01 0.00 1.83 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.41 4.16 0.00 1.51 1.74 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.59 7.81 70 E 8.11 3.91 0.00 1.57 1.78 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 1.64 1.47 0.00 71 E 8.05 3.90 0.00 2.08 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 2.23 2.34 0.00 72 R 7.38 4.50 0.00 1.99 2.00 0.00 3.01 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 73 A 8.45 4.52 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 74 I 8.21 3.54 1.16 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.51 0.63 0.00 0.00 75 E 8.28 4.64 0.00 2.04 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 0.00 2.39 2.38 0.00 76 P 0.00 4.34 0.00 2.19 2.17 0.00 3.66 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 2.17 2.22 0.00 77 E 8.24 3.94 0.00 2.07 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 0.00 2.42 2.49 0.00 78 T 7.89 3.87 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 1.24 0.00 0.00 79 F 8.70 4.01 0.00 2.97 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 80 T 8.23 3.60 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 1.15 0.00 0.00 81 Q 7.89 3.89 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 82 L 7.43 3.83 0.00 1.66 1.45 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.26 3.24 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 0.89 0.00 0.00 -0.55 0.00 0.00 84 S 8.03 4.05 0.00 3.90 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 85 S 8.04 4.20 0.00 4.12 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 0.00 86 S 8.32 4.18 0.00 4.20 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 87 L 8.28 4.25 0.00 1.88 1.76 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.16 3.85 0.00 3.16 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 89 E 7.90 4.09 0.00 2.10 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 0.00 2.29 2.34 0.00 90 R 7.68 4.44 0.00 1.76 1.69 0.00 2.88 0.00 0.00 2.84 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.27 0.00 91 R 7.05 3.25 0.00 0.67 1.01 0.00 2.63 0.00 0.00 2.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.64 4.94 0.00 3.00 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 93 G 7.05 4.93 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 0.00 0.00 0.00 94 P 0.00 4.08 0.00 1.82 1.80 0.00 3.55 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.74 0.00 95 Y 7.78 4.25 0.00 2.90 2.82 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 96 F 8.95 4.65 0.00 3.09 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 97 V 7.87 5.00 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 0.79 0.00 0.00 1.06 0.00 0.00 98 G 9.20 4.15 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 0.00 99 P 0.00 4.96 0.00 1.99 2.09 0.00 3.70 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 2.10 2.18 0.00 100 V 8.93 4.45 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 0.80 0.00 0.00 0.99 0.00 0.00 101 V 8.63 5.10 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 0.99 0.00 0.00 1.05 0.00 0.00 102 A 9.23 4.76 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 0.00 103 G 7.91 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 0.00 104 I 8.21 4.63 1.91 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 1.33 1.00 0.93 0.00 0.00 105 N 8.74 4.97 0.00 2.71 2.72 0.00 0.00 7.19 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 * Residues marked with a * may have inaccurate shift predictions.