NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9814 8.2133 108.0227 45.4836 0.0000 172.8696 3 I 3.7927 8.3686 121.2708 61.4770 36.8452 170.6763 4 V 4.0282 9.1221 127.4559 64.5461 33.3778 175.5230 5 G 4.4369 7.3979 104.0867 46.3134 0.0000 172.4275 6 V 5.1358 8.1057 119.5056 61.2131 35.8890 174.3074 7 G 4.8441 8.5147 109.6697 45.6903 0.0000 171.9632 8 I 5.2657 8.1548 123.0411 59.4690 41.9579 173.7563 9 D 4.6840 8.8310 124.9588 53.3259 45.0587 173.8204 10 L 5.2973 8.6462 125.3319 53.0918 44.2896 175.9442 11 V 4.5609 8.8114 122.3537 61.0742 35.5608 174.5193 12 S 4.7216 8.8011 122.1734 57.6970 62.7680 174.5117 13 I 3.6563 8.5181 130.1731 63.9552 36.3415 176.2467 14 P 4.2426 0.0000 0.0000 66.2549 31.0038 178.2833 15 D 4.4662 7.9229 115.4230 56.6335 41.0644 178.1950 16 F 4.2954 7.9838 120.7220 60.4906 39.6508 176.9381 17 A 4.4247 8.1261 119.8073 53.0831 17.9316 178.7301 18 E 4.0865 7.6537 116.3415 57.5650 29.8809 177.4719 19 Q 4.5144 7.5467 116.2743 55.3908 29.8970 176.6361 20 V 3.2400 7.0852 118.7234 64.3531 32.2648 176.3302 21 D 4.5627 7.5159 115.1479 54.0432 41.0683 175.6544 22 Q 4.2463 7.6337 116.7447 55.1148 29.5139 174.1864 23 P 4.3353 0.0000 0.0000 63.5632 31.9847 177.4209 24 G 3.9510 8.8103 108.9117 45.7379 0.0000 174.2073 25 T 3.9030 7.4118 109.9244 61.8314 69.4732 175.3178 26 V 3.7885 7.6851 114.8292 62.5022 31.6815 178.3993 27 F 4.0474 7.1896 118.1574 60.6520 38.3672 177.1211 28 A 3.7241 7.9038 119.5852 54.9628 17.9526 178.7552 29 E 4.0532 7.4965 113.8754 57.8685 29.8021 177.2402 30 T 4.4670 7.3212 110.2515 60.9108 69.3795 172.8610 31 F 5.3949 8.5836 118.9546 55.7839 42.5785 174.8483 32 T 4.6220 8.3053 118.1058 61.9638 71.2318 174.7451 33 P 4.4309 0.0000 0.0000 65.5954 31.4123 179.4479 34 G 3.6063 8.0665 104.3355 47.5965 0.0000 175.2467 35 E 3.9111 8.2172 120.5437 59.5904 29.3410 179.6111 36 R 3.9817 7.6102 115.5493 58.6006 30.3351 178.7537 37 R 4.1561 7.7355 118.4249 59.5339 29.6594 178.2339 38 D 4.3968 8.6853 118.3705 56.3237 40.4955 177.4142 39 A 4.5325 7.4731 120.0192 52.5410 18.4693 179.0896 40 S 4.6951 7.5084 117.4653 60.0866 63.8606 174.2610 41 D 4.5450 7.6738 121.8435 52.8388 39.2187 176.3176 42 K 4.1872 8.1790 125.7146 58.8882 32.5978 177.9369 43 S 4.6219 7.8873 111.5860 57.7198 63.3534 173.9386 44 S 4.4760 8.1141 116.4876 57.5218 64.2548 174.9169 45 S 4.1040 8.6983 114.3003 61.5641 61.8282 175.5924 46 A 3.8863 8.0367 122.6078 55.3723 17.9491 179.3913 47 A 3.8862 8.0719 118.1652 56.7656 18.4884 180.0795 48 R 3.2727 7.5375 113.4731 59.2244 30.1980 177.9018 49 H 3.8985 8.9509 117.2165 58.6454 29.0050 176.8419 50 L 4.1142 7.3524 120.5540 55.8558 42.7411 178.2515 51 A 3.0199 7.4680 120.8552 54.7733 18.2260 179.4702 52 A 4.1743 7.7214 118.9633 55.1201 18.4570 180.0578 53 R 4.0445 7.5606 116.6115 58.8728 30.1898 178.9349 54 W 4.5399 8.6618 128.1523 60.5547 30.8000 177.8899 55 A 4.0517 8.7458 121.0195 55.0321 17.8049 179.0887 56 A 3.9278 8.1439 119.4247 55.5339 18.3330 180.0372 57 K 3.7673 7.7782 116.0979 59.6025 32.1554 179.1627 58 E 3.6929 7.6628 118.5095 59.5387 29.4095 179.1903 59 A 3.9839 8.1983 120.8336 55.5487 18.2309 179.9442 60 V 3.5980 7.7730 116.3654 65.9324 31.5736 178.3021 61 I 3.7441 8.2661 119.9865 64.5451 36.9490 178.6812 62 K 4.0642 8.6030 119.1491 59.0916 31.7247 179.3698 63 A 4.2978 7.7445 122.7946 54.0529 18.2831 179.4716 64 W 4.0770 8.1322 126.4131 60.4070 30.8239 177.8797 65 S 3.6083 8.1951 112.0220 61.3256 61.7602 176.2894 66 G 3.8610 8.0035 104.3714 44.6140 0.0000 172.6367 67 S 4.7322 7.2992 115.5605 56.2837 65.5355 173.9343 68 R 4.2731 8.3308 116.9380 56.4660 29.9208 176.6218 69 F 4.5456 7.6293 118.5430 58.0957 39.6463 176.2609 70 A 4.2914 7.4858 122.5555 50.4344 20.7787 174.6729 71 Q 3.0816 7.2301 116.4072 57.4631 26.0171 173.7985 72 R 3.3405 8.0625 118.3228 56.8859 26.4877 173.0514 73 P 3.8722 0.0000 0.0000 61.9445 32.3347 176.0650 74 V 4.4071 8.1337 120.9619 60.8000 34.2207 174.7289 75 L 4.2560 8.7736 127.9720 54.1050 41.8167 175.4073 76 P 4.5066 0.0000 0.0000 62.5603 32.0675 175.3006 77 E 4.3132 8.3404 119.7444 56.4027 30.9869 175.9553 78 D 4.6811 8.6897 120.3269 53.8418 38.3205 174.4083 79 I 3.7607 7.2557 118.9969 62.5243 38.3874 174.2905 80 H 4.4619 8.6269 122.4723 56.3986 26.6062 177.5338 81 R 4.1682 7.6777 116.9279 58.2864 30.4472 176.7017 82 D 4.5004 8.6795 116.7003 54.8055 41.0174 175.5022 83 I 4.5902 7.1461 119.5626 59.5970 38.5565 174.4410 84 E 4.6394 9.7174 126.7442 54.1749 31.8745 176.8465 85 V 4.5642 8.0526 125.7242 61.2984 29.4413 175.3635 86 V 4.0345 7.6692 124.2247 62.0343 33.1383 176.3665 87 T 5.0615 8.3465 110.7973 60.1201 71.5575 173.7699 88 D 4.3642 8.4785 121.2408 53.4515 40.3043 174.6925 89 M 2.8857 8.1760 122.7801 56.1776 30.9409 178.3478 90 W 4.5668 7.2909 116.1882 57.0137 29.3017 176.5453 91 G 3.6868 7.6222 103.9100 46.6558 0.0000 174.6525 92 R 4.7195 7.4221 118.4137 53.2452 32.1245 175.5280 93 P 4.8578 0.0000 0.0000 63.3941 32.0494 175.7088 94 R 4.6547 8.6222 120.8269 55.3820 33.4293 174.0643 95 V 4.5429 8.3597 125.0503 61.5359 33.3692 174.7388 96 R 4.5896 9.1010 127.5953 54.6171 32.3292 174.0706 97 L 5.2499 8.5756 126.5179 53.3833 43.5480 176.0210 98 T 4.4607 8.1327 112.3919 61.1079 72.0937 175.7794 99 G 3.6778 8.6087 108.9511 45.2792 0.0000 173.7123 100 A 3.5671 8.6283 119.6334 55.5491 18.1319 179.9418 101 I 3.4418 7.4898 117.1343 64.4803 37.1629 178.3053 102 A 3.6626 7.8164 120.9637 55.1110 18.1689 179.4984 103 E 3.8768 7.7850 116.5942 59.7939 29.3765 179.0909 104 Y 4.5416 8.0261 115.7600 60.6390 38.1379 177.2797 105 L 4.8381 8.8158 119.2207 55.4032 41.6414 178.9485 106 A 4.3849 7.1400 120.0335 54.2180 18.7690 179.3650 107 D 5.0134 7.8636 114.1381 53.8046 42.0592 175.8984 108 V 4.0699 7.9470 116.7888 62.3096 32.6175 175.0692 109 T 4.5530 8.3858 123.6673 62.0901 70.6358 173.4722 110 I 4.7463 8.2045 126.4773 59.9635 39.3851 174.5051 111 H 4.9834 9.1795 124.7596 54.2674 30.6586 174.3919 112 V 5.1199 8.4602 115.6869 59.5968 34.9646 174.8527 113 S 4.8622 8.9254 117.3282 56.5488 65.8491 172.6589 114 L 5.3327 8.0188 123.3390 53.6348 45.0285 175.3753 115 T 4.3976 8.4989 112.8472 62.2467 71.5743 172.2175 116 H 5.1090 8.4105 121.3357 54.4417 31.1697 172.4427 117 E 4.6076 8.8973 125.2672 54.8839 33.7118 175.6503 118 G 4.0049 9.2946 116.5456 46.8507 0.0000 173.6488 119 D 5.1425 9.1580 121.0439 52.8478 41.3664 175.1259 120 T 5.1439 8.8991 108.9549 60.6013 71.9487 172.5535 121 A 5.3100 9.3919 125.2935 50.5116 22.9713 174.5920 122 A 5.1848 9.3950 119.7880 51.3264 23.4214 175.1256 123 A 5.1369 8.5616 119.2614 51.0555 23.4420 175.8175 124 V 5.0033 8.7099 117.6450 60.1075 35.3960 174.3674 125 A 5.8193 9.3528 123.1193 49.6539 23.3521 175.2868 126 I 4.8530 8.0977 118.9969 60.2631 41.8113 173.8632 127 L 5.1914 8.9509 127.2691 52.9355 44.7050 175.5641 128 E 5.1619 9.0829 122.1363 54.4039 33.6490 175.1056 129 A 4.3559 8.2146 126.2361 51.1667 20.3124 176.6873 *130 P 4.1450 0.0000 0.0000 62.3391 31.5916 177.4661 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 G 8.21 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 0.00 0.00 0.00 3 I 8.37 3.79 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 1.23 0.50 0.93 0.00 0.00 4 V 9.12 4.03 1.85 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 0.61 0.00 0.00 0.66 0.00 0.00 5 G 7.40 4.44 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 0.00 0.00 0.00 6 V 8.11 5.14 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 1.02 0.00 0.00 0.93 0.00 0.00 7 G 8.51 4.84 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 8 I 8.15 5.27 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 1.23 1.00 0.92 0.00 0.00 9 D 8.83 4.68 0.00 2.73 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 5.30 0.00 1.56 1.59 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.81 4.56 2.15 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 1.13 0.00 0.00 1.22 0.00 0.00 12 S 8.80 4.72 0.00 3.95 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 13 I 8.52 3.66 1.84 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 0.75 0.83 0.00 0.00 14 P 0.00 4.24 0.00 2.17 2.14 0.00 3.60 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 2.13 2.21 0.00 15 D 7.92 4.47 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 7.98 4.30 0.00 3.10 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 17 A 8.13 4.42 1.56 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 18 E 7.65 4.09 0.00 1.96 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 2.31 2.30 0.00 19 Q 7.55 4.51 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 20 V 7.09 3.24 0.78 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 0.58 0.00 0.00 0.29 0.00 0.00 21 D 7.52 4.56 0.00 2.59 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 22 Q 7.63 4.25 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 23 P 0.00 4.34 0.00 2.03 1.97 0.00 3.74 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 2.02 2.07 0.00 24 G 8.81 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 25 T 7.41 3.90 4.23 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 1.40 0.00 0.00 26 V 7.69 3.79 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 0.77 0.00 0.00 0.39 0.00 0.00 27 F 7.19 4.05 0.00 2.90 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 28 A 7.90 3.72 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 29 E 7.50 4.05 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 2.29 2.41 0.00 30 T 7.32 4.47 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 0.73 0.00 0.00 31 F 8.58 5.39 0.00 2.99 2.88 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 32 T 8.31 4.62 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 1.30 0.00 0.00 33 P 0.00 4.43 0.00 2.16 2.11 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 34 G 8.07 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 0.00 0.00 0.00 35 E 8.22 3.91 0.00 2.38 1.94 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 2.37 2.44 0.00 36 R 7.61 3.98 0.00 1.79 1.92 0.00 3.44 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 1.76 1.87 0.00 37 R 7.74 4.16 0.00 2.08 2.07 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 38 D 8.69 4.40 0.00 2.63 2.66 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 39 A 7.47 4.53 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 40 S 7.51 4.70 0.00 3.98 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 41 D 7.67 4.55 0.00 2.60 2.55 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 42 K 8.18 4.19 0.00 1.89 1.97 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 43 S 7.89 4.62 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 44 S 8.11 4.48 0.00 3.90 4.01 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 45 S 8.70 4.10 0.00 3.82 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 46 A 8.04 3.89 1.31 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 47 A 8.07 3.89 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 48 R 7.54 3.27 0.00 2.03 1.56 0.00 2.93 0.00 0.00 3.28 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 49 H 8.95 3.90 0.00 3.26 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.35 4.11 0.00 1.64 1.41 -0.25 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.47 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.72 4.17 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 53 R 7.56 4.04 0.00 2.25 2.25 0.00 3.18 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 54 W 8.66 4.54 0.00 4.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.75 4.05 1.44 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 0.00 0.00 56 A 8.14 3.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 3.77 0.00 1.63 1.62 0.00 2.01 0.00 0.00 1.84 0.00 0.00 3.27 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.61 1.63 7.81 58 E 7.66 3.69 0.00 1.90 1.86 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 1.47 1.85 0.00 59 A 8.20 3.98 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 60 V 7.77 3.60 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 1.02 0.00 0.00 0.97 0.00 0.00 61 I 8.27 3.74 1.88 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 0.55 0.98 0.00 0.00 62 K 8.60 4.06 0.00 1.76 1.86 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 63 A 7.74 4.30 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 64 W 8.13 4.08 0.00 3.43 3.23 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 65 S 8.20 3.61 0.00 4.24 3.86 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 66 G 8.00 3.86 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 0.00 0.00 0.00 67 S 7.30 4.73 0.00 3.94 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 68 R 8.33 4.27 0.00 1.81 1.95 0.00 3.18 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 69 F 7.63 4.55 0.00 2.98 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 70 A 7.49 4.29 0.27 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 71 Q 7.23 3.08 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 72 R 8.06 3.34 0.00 1.85 2.28 0.00 3.36 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 73 P 0.00 3.87 0.00 1.84 1.36 0.00 3.45 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 74 V 8.13 4.41 2.15 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 0.89 0.00 0.00 0.98 0.00 0.00 75 L 8.77 4.26 0.00 1.75 1.68 0.97 1.29 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 76 P 0.00 4.51 0.00 2.14 2.21 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.07 0.00 77 E 8.34 4.31 0.00 1.93 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 2.25 2.38 0.00 78 D 8.69 4.68 0.00 2.91 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 79 I 7.26 3.76 1.97 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 0.75 0.87 0.00 0.00 80 H 8.63 4.46 0.00 3.50 3.57 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.68 4.17 0.00 1.86 2.06 0.00 3.23 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 82 D 8.68 4.50 0.00 2.67 2.72 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 83 I 7.15 4.59 1.82 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 1.30 0.61 0.88 0.00 0.00 84 E 9.72 4.64 0.00 1.87 1.86 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 2.29 2.24 0.00 85 V 8.05 4.56 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 0.85 0.00 0.00 1.00 0.00 0.00 86 V 7.67 4.03 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 0.79 0.00 0.00 0.93 0.00 0.00 87 T 8.35 5.06 4.23 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 1.22 0.00 0.00 88 D 8.48 4.36 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.18 2.89 0.00 1.25 0.57 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 90 W 7.29 4.57 0.00 3.35 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 91 G 7.62 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 0.00 0.00 0.00 92 R 7.42 4.72 0.00 1.94 1.92 0.00 3.33 0.00 0.00 3.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 93 P 0.00 4.86 0.00 2.09 2.08 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 94 R 8.62 4.65 0.00 1.81 1.79 0.00 3.31 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 95 V 8.36 4.54 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 0.85 0.00 0.00 0.93 0.00 0.00 96 R 9.10 4.59 0.00 1.84 1.86 0.00 3.12 0.00 0.00 3.41 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 97 L 8.58 5.25 0.00 1.50 1.51 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.13 4.46 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 1.19 0.00 0.00 99 G 8.61 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.49 3.44 1.72 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 1.57 0.92 0.56 0.00 0.00 102 A 7.82 3.66 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 0.00 103 E 7.79 3.88 0.00 1.83 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 2.43 2.33 0.00 104 Y 8.03 4.54 0.00 2.96 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 0.00 105 L 8.82 4.84 0.00 1.83 1.72 0.90 1.03 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 0.00 106 A 7.14 4.38 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 5.01 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 4.07 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 0.78 0.00 0.00 0.67 0.00 0.00 109 T 8.39 4.55 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 1.13 0.00 0.00 110 I 8.20 4.75 1.84 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 1.34 0.57 0.90 0.00 0.00 111 H 9.18 4.98 0.00 3.03 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.46 5.12 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 0.70 0.00 0.00 0.95 0.00 0.00 113 S 8.93 4.86 0.00 3.87 3.65 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 0.00 114 L 8.02 5.33 0.00 1.51 1.52 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.50 4.40 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 1.20 0.00 0.00 116 H 8.41 5.11 0.00 3.17 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.90 4.61 0.00 1.93 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 0.00 2.19 2.36 0.00 118 G 9.29 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 0.00 119 D 9.16 5.14 0.00 2.72 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 0.00 120 T 8.90 5.14 4.26 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 1.23 0.00 0.00 121 A 9.39 5.31 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 A 9.39 5.18 1.20 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 0.00 0.00 0.00 123 A 8.56 5.14 1.21 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 0.00 124 V 8.71 5.00 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 0.82 0.00 0.00 0.99 0.00 0.00 125 A 9.35 5.82 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 0.00 126 I 8.10 4.85 1.92 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 1.34 0.54 0.93 0.00 0.00 127 L 8.95 5.19 0.00 1.61 1.50 0.94 0.63 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 0.00 128 E 9.08 5.16 0.00 1.98 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 0.00 2.20 2.24 0.00 129 A 8.21 4.36 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 *130 P 0.00 4.14 0.00 1.86 2.06 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.