NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3207 8.3044 118.2052 55.3317 33.0572 175.2750 2 D 4.5105 7.7670 117.8726 52.9656 39.0100 175.0372 3 F 4.9724 8.6873 120.5007 57.5724 41.1073 175.5975 4 R 4.9422 9.2794 119.5649 54.6851 34.5427 174.1985 5 I 5.0215 8.4832 115.0453 59.3259 40.9305 174.4397 6 G 4.3631 9.0688 110.1625 44.7250 0.0000 171.2603 7 Q 5.1889 8.5745 117.3412 54.3787 32.5947 174.0629 8 G 4.4583 9.1197 106.8652 45.0913 0.0000 170.7197 9 Y 5.4863 8.4786 121.0327 56.0611 41.9028 173.5366 10 D 4.6098 8.3239 123.9402 53.0698 45.3659 174.0623 11 V 4.6768 7.7120 121.0711 60.7570 34.5799 173.5230 12 H 4.9738 8.8223 118.1499 54.0245 33.5474 172.9723 13 Q 4.6170 8.6913 119.7554 56.0378 30.0600 174.7207 14 L 4.9942 8.3864 125.0153 54.2193 43.3375 176.1501 15 V 4.6617 8.8786 118.2969 59.0234 36.5052 172.9088 16 P 4.5704 0.0000 0.0000 63.6920 31.9411 176.9410 17 G 3.9183 8.9840 109.8082 45.5501 0.0000 173.2398 18 R 4.7778 7.3779 117.5348 53.1348 33.8154 173.4432 19 P 4.4115 0.0000 0.0000 62.7548 32.9958 175.4311 20 L 4.5896 8.5835 125.8601 53.9977 43.0306 175.2076 21 I 4.9068 8.1846 127.7884 59.4342 39.3254 175.1429 22 I 4.6464 8.1488 126.2306 60.4221 40.0584 176.0163 23 G 4.0023 9.9396 113.2355 46.5895 0.0000 175.2672 24 G 3.8823 8.9440 107.7778 44.9878 0.0000 174.5070 25 V 3.9473 7.5437 120.8569 61.7979 32.3238 174.7655 26 T 4.6471 8.4058 124.3901 63.2647 68.6988 173.9134 27 I 4.3977 8.4065 129.0565 58.5282 38.7282 174.3748 28 P 4.4256 0.0000 0.0000 63.3285 30.2480 175.1936 29 Y 4.7154 8.1853 121.8797 56.8231 41.2864 174.1320 30 E 3.6666 7.7712 122.4808 57.5743 30.2823 176.1523 31 R 4.8327 6.6283 116.1861 54.6192 34.3026 174.1844 32 G 4.5155 8.9271 106.8024 44.4445 0.0000 171.3097 33 L 5.0343 7.9081 119.5394 53.8168 42.7048 176.6817 34 L 4.4532 8.4811 126.0305 54.0755 43.1521 175.9566 35 G 4.0559 8.0731 113.3616 45.6021 0.0000 172.6388 36 H 4.3632 8.6638 118.3249 59.1581 30.2540 175.3248 37 S 4.7914 7.7010 113.2790 57.7034 64.8644 173.2641 38 D 4.3413 8.3339 119.1820 54.4449 39.1405 175.9821 39 A 3.3569 7.9442 121.8512 53.6046 16.5258 178.5776 40 D 4.7779 7.5481 121.2309 55.1444 40.5724 176.1035 41 V 3.8937 7.9303 122.4012 63.3060 31.7085 178.0164 42 L 3.8787 7.7857 119.7188 58.2147 42.0370 178.8370 43 L 3.9988 8.0513 118.9280 58.0839 41.4399 179.3012 44 H 4.2512 8.3353 115.9994 58.7782 28.6632 177.6792 45 A 4.0134 8.0440 122.6097 55.2651 18.2335 179.7986 46 I 3.6743 7.8023 118.3242 64.7169 37.0913 178.7106 47 T 3.6975 8.1467 116.8333 66.8061 68.2221 176.3500 48 D 4.4856 8.4153 120.5555 57.3327 40.8243 178.6754 49 A 4.2242 8.0104 122.6098 54.5774 18.4853 179.7878 50 L 3.8505 7.9592 117.4100 58.0152 41.6777 179.7356 51 F 4.5676 8.2864 118.0329 60.4292 38.8322 178.0382 52 G 3.5868 8.5277 105.4996 47.8115 0.0000 175.6743 53 A 4.1995 8.1756 123.4188 53.8787 18.4786 178.7328 54 A 2.9608 7.5509 115.7983 50.9505 19.4190 176.7945 55 A 3.6590 7.5186 118.9944 53.5813 16.5134 177.9656 56 L 4.6297 8.6157 117.4826 55.3631 43.3746 177.4973 57 G 3.9798 9.1671 107.1764 44.2532 0.0000 174.9190 58 D 4.8595 8.0270 124.9060 50.4593 42.3545 175.7704 59 I 3.9836 9.4015 119.4723 64.2274 37.5194 178.0522 60 G 3.5942 8.0535 105.5039 47.3938 0.0000 175.3272 61 R 3.9128 7.8698 120.3858 59.6693 30.1837 177.9596 62 H 4.1022 7.3183 114.7238 56.8520 29.9850 175.8120 63 F 4.6411 7.8341 118.8050 54.4514 39.2281 173.4997 64 S 4.2139 8.3169 116.6015 58.6183 63.3862 175.6422 65 D 4.4590 8.4460 124.5460 53.6853 39.4659 176.2373 *70 F 4.8634 8.2425 121.5854 56.2044 40.9739 175.1772 71 K 4.0024 8.0485 123.0053 57.4297 32.1027 176.2187 72 G 3.8888 9.3107 114.0896 46.0807 0.0000 173.2456 73 A 3.9786 8.1312 122.8547 52.0342 19.1512 177.5117 74 D 4.8898 8.5632 121.0137 54.0441 41.3599 177.3172 75 S 4.2495 9.1715 124.0310 60.7724 62.7049 176.8110 76 R 3.8855 8.4024 121.5526 58.9995 29.7898 178.6626 77 A 3.9631 8.0394 120.3442 55.0187 18.2677 179.7180 78 L 3.3688 7.5298 117.0816 57.5453 41.5936 179.2728 79 L 3.8784 7.9483 120.3314 58.2300 42.0474 179.2226 80 R 3.8913 8.1543 118.1671 59.2290 29.9714 178.7283 81 E 4.0443 8.3622 119.1813 59.1877 29.5953 178.1654 82 C 4.0004 8.6402 119.0526 62.6626 31.5562 175.5360 83 A 3.9264 8.1427 122.2956 55.1796 17.8665 179.5665 84 S 4.0938 8.1292 111.7057 61.5925 62.4930 176.6781 85 R 4.0116 8.2884 120.9051 59.1704 29.8259 179.0696 86 V 3.7337 8.2586 118.2734 66.0945 31.4735 177.9876 87 A 4.4968 8.1931 121.8149 54.8011 18.0224 179.4342 88 Q 3.9486 8.1747 116.8904 58.8909 29.2072 177.7023 89 A 4.3036 7.9993 120.6302 52.9352 18.7517 178.0342 90 G 3.8919 8.1079 106.7995 44.9359 0.0000 172.8437 91 F 5.4259 8.3787 117.7293 55.3067 42.1660 174.3418 92 A 4.9451 8.9870 123.8164 50.1753 21.6395 175.7656 93 I 4.1718 8.4257 123.0799 61.4535 37.4815 175.9346 94 R 4.5705 9.0508 126.5871 57.9783 31.5404 176.2683 95 N 4.9650 7.6236 113.1175 52.0842 40.6417 173.6500 96 V 4.9198 8.6170 119.3800 61.2680 35.0107 173.7632 97 D 5.4971 9.0127 126.4141 52.8915 44.8931 174.1525 98 S 5.1312 8.3126 116.2640 58.0171 67.0622 173.1352 99 T 4.9683 8.9900 116.3760 62.0343 72.9604 173.0961 100 I 4.8848 8.8533 126.0459 59.5264 40.7628 174.5722 101 I 4.9871 8.8713 127.0858 59.5331 39.9509 174.4988 102 A 4.7649 8.5736 128.2797 50.5311 21.7677 176.0676 103 Q 3.9461 8.9664 122.9813 58.9853 29.5183 175.9987 104 A 4.3541 7.1546 116.7159 50.3431 21.6880 173.7502 105 P 4.3920 0.0000 0.0000 61.5824 32.5152 176.0306 106 K 4.0804 8.3584 118.0124 56.7416 32.2912 177.6923 107 L 4.5508 8.3914 122.1359 55.2986 42.7171 178.4327 108 A 3.9611 8.0509 120.8012 54.9516 17.9787 177.4440 109 P 4.2616 0.0000 0.0000 64.6280 31.7679 177.1956 110 H 4.8126 8.1455 114.2518 55.6928 29.7480 176.3977 111 I 3.7105 7.3832 122.4506 64.6107 36.9871 177.8673 112 D 4.3190 8.0858 118.8507 57.3210 40.6817 178.5951 113 A 4.0363 7.9353 120.8374 55.2560 18.4213 179.4321 114 M 4.2480 8.0902 118.6245 57.9987 31.9754 178.8804 115 R 3.8436 8.2394 118.7639 59.4495 30.2704 178.3708 116 A 3.9783 8.0771 120.4838 55.1888 18.2883 179.4528 117 N 4.2858 8.2084 114.9865 56.4661 38.6639 177.7520 118 I 3.6510 7.9186 120.9980 64.2947 37.1622 178.2743 119 A 3.9734 8.2112 121.5049 55.2001 18.1979 179.5606 120 A 3.9247 8.1083 119.1741 55.4949 18.2435 179.6624 121 D 4.3570 8.1504 116.4167 56.8302 40.9667 177.9907 122 L 4.3406 7.8622 116.6048 53.3162 42.7540 175.6906 123 D 4.3670 7.6741 117.3051 55.6677 40.0441 172.9510 124 L 4.8614 7.8249 116.8520 51.8417 45.2042 175.5668 125 P 4.5147 0.0000 0.0000 62.3556 32.3086 177.3931 126 L 4.0032 8.5075 119.5633 57.9982 41.6337 178.7281 127 D 4.6001 8.0663 114.8333 54.4294 39.6757 176.4243 128 R 4.6024 8.1904 118.5933 56.0480 31.6261 175.3361 129 V 4.9016 7.8303 119.3341 61.0540 33.9811 174.3558 130 N 5.1133 9.0163 125.3002 51.8676 42.7148 173.0042 131 V 4.8177 8.2758 123.7252 59.9419 34.6803 174.3587 132 K 4.7357 8.9345 126.5385 54.4944 35.1989 174.7450 133 A 5.1900 8.5946 125.7207 50.2957 21.1586 175.9248 134 K 4.7780 9.0447 120.5466 54.9424 37.1147 175.8637 135 T 4.6860 8.3902 112.2726 60.1907 71.6002 173.5326 136 N 4.7582 8.4456 116.5924 53.1058 39.1203 174.1610 137 E 3.8030 8.7803 113.0423 56.9862 27.6498 175.9634 138 K 3.9949 8.2656 113.6201 56.6470 29.9933 176.1684 139 L 4.3918 7.8297 120.1046 54.2585 43.3056 178.3228 140 G 4.0139 8.4683 111.4818 45.3450 0.0000 173.1948 141 Y 4.2292 8.0888 115.8477 60.0663 37.8582 178.1913 142 L 4.0754 7.1820 120.5751 57.7071 41.6268 179.5463 143 G 3.6670 7.7899 104.1261 47.2639 0.0000 175.0689 144 R 4.3589 7.8077 118.0369 55.8428 30.3574 176.8110 145 G 3.9526 7.9106 106.8870 46.6400 0.0000 174.9966 146 E 4.1864 8.6683 121.6368 58.1514 29.8490 176.3658 147 G 4.5621 7.4899 103.5023 45.7683 0.0000 172.4390 148 I 4.9555 8.5058 119.7434 59.3371 40.9630 174.7901 149 E 5.0908 8.8392 125.9804 54.4213 32.7216 174.4110 150 A 5.2777 8.7394 125.6610 50.3377 23.0794 174.9882 151 Q 5.2555 9.1072 117.8737 54.3436 33.1803 174.4983 152 A 5.2048 8.9436 122.0177 50.6581 23.3848 174.9746 153 A 5.2217 9.2089 120.7231 50.1915 22.8658 175.2344 154 A 5.0652 9.0201 121.6798 50.1095 23.3248 174.6980 155 L 5.1335 8.6903 122.9756 53.4309 44.8323 175.8203 156 V 5.2417 8.8843 118.4277 59.5867 36.6175 174.7101 157 V 4.7564 8.7684 120.5658 60.0975 34.7295 174.6721 158 R 4.2918 8.7772 125.6389 55.1112 30.2522 176.1030 159 E 4.0528 8.4679 125.7794 56.6685 29.3922 177.0440 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 1 M 8.30 4.32 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.94 0.00 2 D 7.77 4.51 0.00 2.85 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 3 F 8.69 4.97 0.00 3.01 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 4 R 9.28 4.94 0.00 1.64 1.77 0.00 3.32 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 5 I 8.48 5.02 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 1.29 0.95 0.92 0.00 0.00 6 G 9.07 4.36 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 0.00 7 Q 8.57 5.19 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.12 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 0.00 0.00 0.00 0.00 9 Y 8.48 5.49 0.00 2.90 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 10 D 8.32 4.61 0.00 2.74 2.44 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 11 V 7.71 4.68 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 0.76 0.00 0.00 1.07 0.00 0.00 12 H 8.82 4.97 0.00 3.05 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.69 4.62 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 14 L 8.39 4.99 0.00 1.70 1.62 1.08 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 15 V 8.88 4.66 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 0.68 0.00 0.00 0.95 0.00 0.00 16 P 0.00 4.57 0.00 1.92 1.95 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 17 G 8.98 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 18 R 7.38 4.78 0.00 1.64 1.80 0.00 3.30 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 19 P 0.00 4.41 0.00 2.06 1.96 0.00 3.58 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 2.10 2.08 0.00 20 L 8.58 4.59 0.00 2.07 1.82 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.18 4.91 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.07 0.87 0.00 0.00 22 I 8.15 4.65 1.81 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 1.17 0.66 0.86 0.00 0.00 23 G 9.94 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 24 G 8.94 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 25 V 7.54 3.95 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 0.93 0.00 0.00 0.98 0.00 0.00 26 T 8.41 4.65 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 1.21 0.00 0.00 27 I 8.41 4.40 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.59 0.79 0.00 0.00 28 P 0.00 4.43 0.00 2.12 2.10 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 29 Y 8.19 4.72 0.00 2.96 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 30 E 7.77 3.67 0.00 1.93 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 1.60 2.00 0.00 31 R 6.63 4.83 0.00 1.76 1.99 0.00 3.17 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.37 0.00 32 G 8.93 4.52 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 0.00 0.00 0.00 33 L 7.91 5.03 0.00 1.58 1.56 0.92 1.01 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 34 L 8.48 4.45 0.00 1.65 1.60 0.94 1.13 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 35 G 8.07 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 0.00 0.00 0.00 36 H 8.66 4.36 0.00 3.26 3.53 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.70 4.79 0.00 4.21 3.93 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 38 D 8.33 4.34 0.00 2.77 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 39 A 7.94 3.36 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 40 D 7.55 4.78 0.00 2.73 2.44 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 41 V 7.93 3.89 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 1.16 0.00 0.00 0.88 0.00 0.00 42 L 7.79 3.88 0.00 1.71 1.75 0.90 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 43 L 8.05 4.00 0.00 1.71 1.68 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.34 4.25 0.00 3.46 3.36 0.00 5.64 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 45 A 8.04 4.01 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 46 I 7.80 3.67 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.97 0.87 0.00 0.00 47 T 8.15 3.70 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 1.23 0.00 0.00 48 D 8.42 4.49 0.00 3.00 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 49 A 8.01 4.22 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 50 L 7.96 3.85 0.00 1.61 1.52 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.29 4.57 0.00 3.04 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 52 G 8.53 3.59 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 53 A 8.18 4.20 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 54 A 7.55 2.96 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 55 A 7.52 3.66 1.37 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 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0.00 4.03 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 65 D 8.45 4.46 0.00 2.69 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 *70 F 8.24 4.86 0.00 3.29 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 71 K 8.05 4.00 0.00 1.67 1.70 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.40 7.81 72 G 9.31 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.13 3.98 1.42 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 0.00 0.00 74 D 8.56 4.89 0.00 2.68 2.56 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 75 S 9.17 4.25 0.00 3.89 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 76 R 8.40 3.89 0.00 1.98 2.05 0.00 3.10 0.00 0.00 3.15 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0.00 0.00 0.00 0.00 0.00 85 R 8.29 4.01 0.00 2.24 2.11 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.03 0.00 86 V 8.26 3.73 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 1.07 0.00 0.00 0.97 0.00 0.00 87 A 8.19 4.50 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 88 Q 8.17 3.95 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 89 A 8.00 4.30 1.64 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 0.00 0.00 90 G 8.11 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.38 5.43 0.00 3.11 2.93 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 92 A 8.99 4.95 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 93 I 8.43 4.17 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.29 0.89 0.00 0.00 102 A 8.57 4.76 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 0.00 103 Q 8.97 3.95 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 104 A 7.15 4.35 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 0.00 105 P 0.00 4.39 0.00 2.04 1.67 0.00 3.29 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.48 0.00 106 K 8.36 4.08 0.00 1.75 1.78 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.40 7.81 107 L 8.39 4.55 0.00 1.64 1.66 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.05 3.96 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 0.00 109 P 0.00 4.26 0.00 1.77 2.01 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 110 H 8.15 4.81 0.00 3.33 3.29 0.00 5.82 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 0.00 111 I 7.38 3.71 1.98 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 1.51 0.60 0.93 0.00 0.00 112 D 8.09 4.32 0.00 2.67 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 0.00 113 A 7.94 4.04 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 0.00 114 M 8.09 4.25 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.55 0.00 115 R 8.24 3.84 0.00 1.86 2.09 0.00 3.09 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 1.62 1.76 0.00 116 A 8.08 3.98 1.37 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 0.00 0.00 0.00 117 N 8.21 4.29 0.00 3.00 2.86 0.00 0.00 7.01 7.52 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 0.00 118 I 7.92 3.65 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.89 0.00 0.00 119 A 8.21 3.97 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 0.00 120 A 8.11 3.92 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 0.00 121 D 8.15 4.36 0.00 2.77 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 0.00 122 L 7.86 4.34 0.00 1.66 1.68 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.67 4.37 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 0.00 124 L 7.82 4.86 0.00 1.63 1.53 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.51 0.00 2.33 2.18 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 126 L 8.51 4.00 0.00 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1.69 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.35 7.81 135 T 8.39 4.69 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 1.24 0.00 0.00 136 N 8.45 4.76 0.00 2.70 2.71 0.00 0.00 7.02 7.65 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 0.00 137 E 8.78 3.80 0.00 2.12 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 0.00 2.24 2.39 0.00 138 K 8.27 3.99 0.00 1.92 1.98 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.44 7.81 139 L 7.83 4.39 0.00 1.82 1.51 0.89 0.71 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 0.00 140 G 8.47 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 0.00 141 Y 8.09 4.23 0.00 3.29 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 0.00 142 L 7.18 4.08 0.00 1.51 1.68 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.79 3.67 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 0.00 0.00 0.00 144 R 7.81 4.36 0.00 2.00 2.03 0.00 3.28 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 145 G 7.91 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 0.00 146 E 8.67 4.19 0.00 2.27 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 2.38 2.35 0.00 147 G 7.49 4.56 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 0.00 148 I 8.51 4.96 1.87 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 1.10 1.09 0.95 0.00 0.00 149 E 8.84 5.09 0.00 2.12 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 2.21 2.23 0.00 150 A 8.74 5.28 1.19 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 0.00 0.00 0.00 151 Q 9.11 5.26 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 152 A 8.94 5.20 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 0.00 153 A 9.21 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 0.00 154 A 9.02 5.07 1.17 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 0.00 0.00 155 L 8.69 5.13 0.00 1.78 1.67 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.88 5.24 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 0.66 0.00 0.00 0.78 0.00 0.00 157 V 8.77 4.76 1.75 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 0.88 0.00 0.00 0.22 0.00 0.00 158 R 8.78 4.29 0.00 1.70 1.90 0.00 3.04 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.00 159 E 8.47 4.05 0.00 1.92 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 2.45 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.