NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3533 8.4029 116.7543 55.9858 32.5040 178.5143 4 S 4.1167 7.9622 118.3108 62.7476 62.2399 177.7737 5 N 4.5055 8.2487 119.3810 56.4477 38.8676 177.0157 6 R 4.0064 7.9185 119.5458 59.5878 30.2004 178.3914 7 Q 4.1178 8.1375 119.2209 58.0899 28.6955 178.6426 8 R 3.8826 8.3530 119.4383 59.2109 29.9813 178.9828 9 A 3.9425 8.0147 120.7368 55.2750 18.2072 179.7958 10 T 3.8646 8.0855 108.5790 64.9061 68.7227 176.9840 11 G 3.6144 8.2349 108.7788 47.1666 0.0000 175.2359 12 L 3.7167 7.7671 122.8103 58.0755 42.0799 179.4421 13 V 3.0848 7.2559 117.8954 65.7450 31.3330 178.0265 14 Q 4.1027 8.2766 117.9579 58.8036 28.5422 178.5397 15 A 3.9192 8.0471 122.0842 55.1144 18.3558 178.8742 16 Y 3.7705 7.3034 117.9391 61.2041 38.7412 178.2505 17 Y 4.3264 8.0624 117.4561 60.8700 37.9331 177.8264 18 E 3.9747 8.5397 120.3589 59.0847 29.6433 178.6485 19 A 3.9372 8.1736 120.9122 55.0082 18.4643 179.0268 20 F 4.0088 8.1132 119.1819 61.9331 39.1981 177.3544 21 N 4.3387 8.2957 114.1279 55.7108 38.4036 176.5086 22 R 4.1281 7.6047 117.8514 55.5229 30.3418 176.3868 23 G 2.3164 6.9052 105.1344 46.7603 0.0000 174.6428 24 D 4.2333 7.1158 121.2654 51.8733 39.4925 175.9047 25 W 4.6745 7.2422 122.6533 59.3585 30.2232 177.5669 26 D 4.5208 8.4364 117.8342 57.5237 40.0746 179.4083 27 A 3.9394 8.0298 120.6226 52.2854 17.8232 179.2282 *29 L 4.2506 8.0698 121.5466 56.3513 43.6259 179.4212 30 A 4.0021 7.5830 120.1653 54.7205 18.5084 178.4126 31 F 4.5765 7.6764 113.2541 59.5685 40.0802 175.7625 32 L 4.8276 7.5929 118.7244 53.4996 42.6587 176.9919 33 A 4.2612 8.7588 124.9540 51.7476 19.1960 178.6994 34 E 3.9985 8.8983 119.0374 58.9180 29.7694 177.7689 35 D 4.8244 7.9474 117.2291 52.9193 39.9441 176.5341 36 V 3.9177 7.7357 120.3208 62.6522 32.4279 174.5726 37 A 5.0823 8.8294 125.8773 50.4756 21.7317 174.9863 38 H 5.1152 9.0978 121.9769 54.5472 32.7930 172.3270 39 D 5.0198 8.8159 127.8088 52.7746 42.0424 176.3289 40 L 4.1777 8.3273 124.9581 53.7895 43.3782 176.6566 41 N 4.3528 8.6110 121.5614 54.9836 39.2113 174.7588 42 Q 3.4242 8.9019 122.9644 56.5843 26.8055 173.5394 43 G 3.9181 7.8164 107.0780 44.0206 0.0000 170.6772 44 P 4.6015 0.0000 0.0000 61.9640 33.7013 174.8973 45 R 4.6928 8.2491 120.0940 55.5741 31.2367 175.0967 46 E 4.7386 9.2355 125.0460 54.5840 33.0352 174.6632 47 I 4.7256 8.4065 124.7989 60.5797 39.4197 175.8990 48 G 4.1213 9.4303 113.8214 45.0013 0.0000 174.9252 49 R 4.1341 8.6423 118.1092 58.4985 30.0842 179.2945 50 A 4.0200 8.0878 120.3769 55.1386 18.4075 179.2548 51 A 4.0017 8.0581 118.8103 55.3701 18.5321 179.4550 52 F 3.9026 8.3257 118.4892 61.2601 39.4389 177.1919 53 A 4.1840 8.6420 120.8357 55.3587 18.1516 179.7574 54 S 4.0593 8.2070 113.6644 61.6771 62.7058 176.5019 55 F 4.0026 8.2676 122.2829 61.5420 39.1315 176.8779 56 L 3.8375 7.9121 117.0113 57.6524 41.4730 179.3339 57 Q 4.0016 7.8026 117.9621 58.8321 27.4074 179.6811 58 R 3.8656 8.2454 115.9366 57.0498 29.7072 177.9003 *60 N 4.7171 8.0830 117.8285 53.3258 40.6667 174.9206 61 D 4.4748 7.7184 117.0989 56.9005 41.6507 176.6716 62 S 4.5728 7.4667 113.8807 58.7631 65.1084 174.0285 63 Y 5.5568 7.6673 115.5403 56.2406 42.0894 174.4570 64 R 4.8184 8.9702 122.9977 54.7176 32.7305 174.2280 65 E 5.2989 8.9855 124.5817 54.8020 33.9034 174.8191 66 Q 4.9378 9.2551 121.7478 54.1953 32.4197 174.3297 67 L 4.9666 9.7447 124.5091 53.6915 42.9628 176.2569 68 R 4.6068 8.9976 122.2637 53.5711 34.4564 174.8674 69 D 4.4607 8.4539 117.0020 55.5001 38.3919 174.9807 70 I 4.2904 7.6230 118.4832 61.0336 38.2942 176.9536 71 V 4.3787 8.8587 128.1596 60.9572 33.8166 174.2924 72 V 5.0045 8.5326 127.7438 61.2956 33.7406 174.5475 73 T 4.9109 9.1742 117.3483 60.0751 72.2310 172.5935 74 A 5.3243 8.3621 123.5493 50.3128 22.9270 175.2721 75 N 4.6678 8.8602 116.8207 52.3877 38.5414 176.3954 76 D 4.3733 8.7605 119.4145 57.4153 41.0615 178.0192 77 E 4.0414 8.2161 117.1488 57.0105 29.7085 177.0066 78 G 3.9515 8.1759 106.9312 46.9252 0.0000 174.2782 79 T 4.8751 8.3878 109.7499 60.2619 71.4944 173.7702 80 R 5.1753 8.1278 121.2910 54.5420 34.3434 174.1838 81 V 5.0349 9.0622 123.1689 61.0629 35.2899 174.2293 82 G 4.4870 9.3564 113.9468 44.3789 0.0000 171.8530 83 A 5.3970 9.0686 124.4505 49.9133 22.8129 174.5994 84 E 4.9602 9.0861 122.4965 54.7091 33.2518 174.2052 85 Y 5.3709 7.8783 122.1349 56.2661 42.4603 173.0836 86 V 4.7811 8.8706 119.2167 61.1486 34.2939 174.2305 87 V 4.6843 9.2654 128.6532 62.2583 33.3181 174.0719 88 H 5.1871 9.4520 125.4535 54.0880 31.1446 173.5449 89 G 3.9675 8.5587 109.7904 44.4602 0.0000 171.1628 90 V 4.9874 8.7278 119.4876 61.0812 35.4910 173.9359 91 Y 5.3333 9.5730 129.1894 56.8286 39.5101 174.9888 92 H 4.9446 8.9586 121.7976 55.7181 30.2800 174.9833 93 T 4.5286 7.3583 115.0465 61.8617 72.3734 173.6714 94 T 3.7651 8.3172 122.6357 63.7857 70.6336 171.0210 95 D 4.4869 9.3032 124.2588 54.4786 39.9668 178.6492 96 E 4.5347 9.1501 120.1356 55.9789 31.8387 174.7900 97 G 4.0105 8.5336 108.5120 46.0449 0.0000 171.3565 98 L 4.6026 7.3693 118.2887 52.2509 43.0590 174.7526 99 P 4.4618 0.0000 0.0000 63.3116 31.7588 177.0668 100 D 4.4475 8.5770 118.9071 53.3732 40.3393 177.0106 101 A 4.3386 7.9455 127.9271 51.4898 20.3837 177.8920 102 N 4.5290 9.8039 115.4339 53.4012 40.3925 176.4404 103 G 4.2441 8.4824 106.6135 46.0017 0.0000 174.7141 104 Q 4.3437 8.2041 119.2671 56.1856 29.8163 175.8301 105 T 5.0935 8.4726 113.1057 61.0049 71.1771 173.1981 106 Y 5.1113 8.2676 119.3652 55.8102 42.0027 174.0680 107 V 4.8278 9.2317 120.8815 61.3092 34.4135 174.5304 108 L 4.8428 9.1029 129.9054 52.7858 45.4802 173.9308 109 P 4.8419 0.0000 0.0000 63.0877 32.5329 175.2583 110 G 3.9865 8.4859 108.4786 45.7094 0.0000 171.3217 111 G 4.3810 8.8831 105.4766 45.4500 0.0000 172.0732 112 A 5.2158 9.0987 120.9911 50.4457 23.1626 175.2941 113 F 5.3981 8.7991 117.5675 55.7847 42.9472 174.6399 114 F 5.9083 9.4175 119.3705 54.9439 43.4919 173.4082 115 D 5.4422 8.7364 120.8291 52.8547 43.4399 175.4492 116 V 4.8709 8.6853 122.0308 61.1498 34.9261 174.5482 117 R 4.5213 8.9207 127.1966 56.1180 33.2187 174.4789 118 D 4.4028 9.8421 125.1598 55.5855 38.4717 174.3336 119 G 3.9644 8.3509 101.9560 46.0952 0.0000 173.4797 120 Q 4.8135 7.7803 117.6457 53.5377 32.3663 174.4857 121 I 4.5543 8.4684 122.1618 61.3705 38.1850 176.4985 122 T 4.6141 9.0789 116.4790 61.5137 70.6350 173.7285 123 R 5.1521 7.6232 122.0930 55.3648 34.0033 173.5325 124 V 4.1136 9.0134 125.5319 61.4461 34.7197 174.2889 125 T 4.4877 8.5291 126.1539 61.8553 70.5519 172.8250 126 N 5.2775 8.2858 125.7463 52.1676 40.9404 173.7494 127 Y 5.6663 9.1025 121.7734 55.8707 42.6392 173.6873 128 Y 4.9324 8.1575 118.6721 55.4610 41.1484 174.4376 129 N 4.6110 8.7659 118.4636 52.6219 38.6605 174.7931 130 L 4.2370 8.2155 130.1759 57.9669 42.3322 178.3891 131 Q 4.0392 8.1863 117.8212 58.8946 28.6647 178.1572 132 E 3.9512 8.7260 120.4082 58.8572 29.6920 178.5934 133 W 3.9469 8.2863 128.3609 60.5281 30.7858 177.9634 134 I 3.4721 8.3225 119.6771 64.2909 36.3340 178.2135 135 A 3.9535 7.8957 120.4503 55.2105 18.2520 179.4645 136 Q 4.0021 7.8169 115.4857 59.1145 28.9856 178.8546 137 V 3.7726 6.7996 109.7707 62.2264 31.7759 177.1032 138 S 4.4630 7.6803 120.4938 58.6581 62.9899 173.6085 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 3 E 8.40 4.35 0.00 1.91 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 0.00 2.21 1.88 0.00 4 S 7.96 4.12 0.00 3.81 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 5 N 8.25 4.51 0.00 2.86 3.00 0.00 0.00 6.79 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 6 R 7.92 4.01 0.00 1.95 1.93 0.00 3.27 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 7 Q 8.14 4.12 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.13 0.00 8 R 8.35 3.88 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 9 A 8.01 3.94 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 10 T 8.09 3.86 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 1.23 0.00 0.00 11 G 8.23 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 12 L 7.77 3.72 0.00 1.79 1.78 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.26 3.08 1.73 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 0.40 0.00 0.00 -0.01 0.00 0.00 14 Q 8.28 4.10 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 15 A 8.05 3.92 1.06 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 16 Y 7.30 3.77 0.00 2.47 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 17 Y 8.06 4.33 0.00 3.12 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 18 E 8.54 3.97 0.00 2.12 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 0.00 2.33 2.38 0.00 19 A 8.17 3.94 1.54 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 0.00 0.00 20 F 8.11 4.01 0.00 3.16 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.30 4.34 0.00 2.91 2.95 0.00 0.00 7.05 7.20 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 22 R 7.60 4.13 0.00 1.78 1.99 0.00 3.31 0.00 0.00 3.17 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 23 G 6.91 2.32 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 0.00 24 D 7.12 4.23 0.00 2.40 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 25 W 7.24 4.67 0.00 3.37 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 26 D 8.44 4.52 0.00 2.83 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 27 A 8.03 3.94 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 *29 L 8.07 4.25 0.00 1.93 1.79 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.58 4.00 1.09 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 0.00 0.00 31 F 7.68 4.58 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 32 L 7.59 4.83 0.00 1.58 1.47 -0.06 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.76 4.26 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 34 E 8.90 4.00 0.00 1.98 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 2.32 2.25 0.00 35 D 7.95 4.82 0.00 2.79 2.75 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 36 V 7.74 3.92 2.19 0.00 0.00 0.00 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 0.93 0.00 0.00 37 A 8.83 5.08 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 38 H 9.10 5.12 0.00 3.17 3.07 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.82 5.02 0.00 2.40 2.40 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 40 L 8.33 4.18 0.00 1.60 1.45 0.35 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.61 4.35 0.00 2.53 2.21 0.00 0.00 7.19 6.73 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 42 Q 8.90 3.42 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 43 G 7.82 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 P 0.00 4.60 0.00 2.07 2.17 0.00 3.62 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 1.99 1.92 0.00 45 R 8.25 4.69 0.00 1.91 1.81 0.00 3.14 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 46 E 9.24 4.74 0.00 1.76 1.76 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 2.16 2.13 0.00 47 I 8.41 4.73 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 1.28 0.56 0.93 0.00 0.00 48 G 9.43 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 49 R 8.64 4.13 0.00 1.91 2.03 0.00 3.20 0.00 0.00 3.52 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 50 A 8.09 4.02 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 51 A 8.06 4.00 1.47 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 0.00 0.00 52 F 8.33 3.90 0.00 3.36 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 53 A 8.64 4.18 1.49 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 0.00 0.00 54 S 8.21 4.06 0.00 4.09 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 55 F 8.27 4.00 0.00 2.93 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 56 L 7.91 3.84 0.00 1.63 0.96 1.31 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.80 4.00 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 58 R 8.25 3.87 0.00 1.74 1.83 0.00 3.13 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 *60 N 8.08 4.72 0.00 2.43 2.75 0.00 0.00 7.11 8.47 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 61 D 7.72 4.47 0.00 2.72 2.75 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 62 S 7.47 4.57 0.00 3.17 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.67 5.56 0.00 2.88 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 64 R 8.97 4.82 0.00 2.07 1.87 0.00 3.09 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 65 E 8.99 5.30 0.00 2.23 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 2.39 2.58 0.00 66 Q 9.26 4.94 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 67 L 9.74 4.97 0.00 1.38 1.32 -0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 68 R 9.00 4.61 0.00 1.74 1.79 0.00 2.93 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 69 D 8.45 4.46 0.00 2.80 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 70 I 7.62 4.29 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.42 0.81 0.00 0.00 71 V 8.86 4.38 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 0.99 0.00 0.00 72 V 8.53 5.00 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 0.94 0.00 0.00 1.08 0.00 0.00 73 T 9.17 4.91 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 1.24 0.00 0.00 74 A 8.36 5.32 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 75 N 8.86 4.67 0.00 2.97 2.99 0.00 0.00 7.39 7.39 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 76 D 8.76 4.37 0.00 2.70 2.79 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 0.00 0.00 0.00 77 E 8.22 4.04 0.00 1.95 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 2.32 2.37 0.00 78 G 8.18 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 79 T 8.39 4.88 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 1.22 0.00 0.00 80 R 8.13 5.18 0.00 1.75 1.90 0.00 3.37 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 81 V 9.06 5.03 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 1.07 0.00 0.00 0.97 0.00 0.00 82 G 9.36 4.49 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 0.00 0.00 0.00 83 A 9.07 5.40 1.57 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 0.00 0.00 84 E 9.09 4.96 0.00 1.94 1.70 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 2.02 2.13 0.00 85 Y 7.88 5.37 0.00 3.04 2.81 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 86 V 8.87 4.78 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 1.05 0.00 0.00 0.97 0.00 0.00 87 V 9.27 4.68 2.26 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 1.17 0.00 0.00 1.17 0.00 0.00 88 H 9.45 5.19 0.00 3.07 3.15 0.00 5.65 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 89 G 8.56 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 0.00 0.00 0.00 90 V 8.73 4.99 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 1.14 0.00 0.00 0.94 0.00 0.00 91 Y 9.57 5.33 0.00 3.46 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 92 H 8.96 4.94 0.00 3.12 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.36 4.53 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 1.15 0.00 0.00 94 T 8.32 3.77 4.19 0.00 0.00 0.00 0.00 0.00 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 95 D 9.30 4.49 0.00 2.89 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 96 E 9.15 4.53 0.00 2.06 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 0.00 2.33 2.35 0.00 97 G 8.53 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 0.00 0.00 0.00 98 L 7.37 4.60 0.00 2.01 2.01 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.46 0.00 2.17 2.06 0.00 3.89 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.14 0.00 100 D 8.58 4.45 0.00 2.69 2.46 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 0.00 101 A 7.95 4.34 -0.08 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 0.00 102 N 9.80 4.53 0.00 2.65 2.61 0.00 0.00 7.23 5.47 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 0.00 103 G 8.48 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 0.00 0.00 0.00 0.00 104 Q 8.20 4.34 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 105 T 8.47 5.09 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 1.22 0.00 0.00 106 Y 8.27 5.11 0.00 3.06 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 0.00 107 V 9.23 4.83 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 0.60 0.00 0.00 0.82 0.00 0.00 108 L 9.10 4.84 0.00 1.96 1.58 1.11 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.84 0.00 1.95 1.92 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 110 G 8.49 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 0.00 111 G 8.88 4.38 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 0.00 112 A 9.10 5.22 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 0.00 113 F 8.80 5.40 0.00 2.96 2.98 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 0.00 114 F 9.42 5.91 0.00 2.88 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 0.00 115 D 8.74 5.44 0.00 2.62 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 0.00 116 V 8.69 4.87 2.19 0.00 0.00 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 0.88 0.00 0.00 117 R 8.92 4.52 0.00 1.81 1.69 0.00 3.30 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 118 D 9.84 4.40 0.00 2.81 2.69 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 0.00 119 G 8.35 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 0.00 120 Q 7.78 4.81 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 121 I 8.47 4.55 1.74 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.44 0.92 0.00 0.00 122 T 9.08 4.61 4.25 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 1.22 0.00 0.00 123 R 7.62 5.15 0.00 1.87 1.84 0.00 3.08 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 124 V 9.01 4.11 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 0.91 0.00 0.00 0.92 0.00 0.00 125 T 8.53 4.49 4.25 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 0.80 0.00 0.00 126 N 8.29 5.28 0.00 2.67 2.61 0.00 0.00 7.00 7.59 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 0.00 127 Y 9.10 5.67 0.00 2.90 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 0.00 128 Y 8.16 4.93 0.00 2.92 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 0.00 129 N 8.77 4.61 0.00 2.84 2.88 0.00 0.00 6.51 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 0.00 130 L 8.22 4.24 0.00 1.58 1.59 0.95 0.84 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 0.00 131 Q 8.19 4.04 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 132 E 8.73 3.95 0.00 2.14 2.19 0.00 0.00 0.00 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 2.42 0.00 133 W 8.29 3.95 0.00 3.48 3.40 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 0.00 134 I 8.32 3.47 2.11 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 1.72 0.90 0.94 0.00 0.00 135 A 7.90 3.95 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 0.00 136 Q 7.82 4.00 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 137 V 6.80 3.77 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 -0.44 0.00 0.00 0.09 0.00 0.00 138 S 7.68 4.46 0.00 3.82 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 * Residues marked with a * may have inaccurate shift predictions.