NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3375 8.3149 120.1420 55.2853 33.3103 175.2334 2 P 4.3018 0.0000 0.0000 62.1150 31.9570 176.3688 3 G 3.8340 8.9791 108.4716 46.5484 0.0000 175.4302 4 A 4.0803 7.9555 121.8838 54.9458 18.4034 178.7359 5 M 3.9644 7.4474 115.9172 56.9709 32.2520 176.5644 6 Y 4.7618 7.5381 113.1445 57.2499 40.1799 176.7246 7 R 4.4514 8.2860 116.3207 56.9106 29.6879 175.8692 8 N 5.0600 7.5882 116.5082 52.2689 40.7883 175.8391 9 S 4.6831 8.3273 118.8460 57.5053 61.7236 173.9872 10 S 4.6153 7.6728 114.3013 58.5177 65.2936 175.7682 11 K 4.3874 7.7761 119.1322 54.4949 32.9755 174.7517 12 P 4.4056 0.0000 0.0000 62.1785 31.8867 176.5356 13 A 4.1918 8.5836 123.9551 53.1449 18.8139 177.5143 14 Y 4.8490 8.7859 122.8490 55.9837 39.1531 175.0679 15 T 4.4734 7.9372 109.3043 60.9508 70.8947 175.2894 16 R 4.4253 7.5514 121.9773 54.7429 29.1691 177.2187 17 R 3.9718 8.1706 123.3493 58.2062 30.4031 178.4522 18 E 4.1032 7.7140 114.8164 57.4242 29.8630 177.0511 19 Y 5.1419 7.6933 115.4192 57.5896 39.7089 175.0207 20 I 4.8067 7.5833 119.6391 59.6636 41.1689 174.6111 21 S 4.6470 8.1142 116.7796 57.7361 66.0041 173.0928 22 G 3.8189 8.6722 106.5962 46.8176 0.0000 173.8356 23 I 4.0595 7.7887 120.3277 59.3340 37.9477 174.5940 24 P 4.2516 0.0000 0.0000 62.2737 31.6093 176.5856 25 G 3.8348 8.5237 111.8857 45.3838 0.0000 172.2601 26 K 4.2041 8.2209 120.2071 55.4364 32.9398 176.6291 27 K 4.2722 8.7867 123.4977 56.9092 32.5296 176.8944 28 I 4.8019 7.8006 120.2281 60.1625 36.9777 175.5953 29 A 4.1705 8.8313 129.3027 54.4780 18.7411 176.9354 30 Q 4.9063 7.6695 112.6008 54.2118 32.7731 175.2303 31 F 4.4168 8.9269 117.4905 58.1535 42.0235 175.1998 32 D 5.3497 8.2924 116.9568 53.3328 42.5521 175.9092 33 M 4.8480 8.6418 120.8877 53.9385 37.3791 177.0038 34 G 3.3683 8.8614 109.4240 47.0196 0.0000 177.3863 35 N 4.6748 8.6641 117.3779 51.6313 36.7628 174.7894 36 N 4.7374 8.1534 114.9143 53.3568 38.1367 177.3408 37 G 3.6477 8.0006 107.6437 47.1456 0.0000 173.3542 38 A 4.7528 7.6022 121.7345 50.1751 21.6993 175.8353 39 G 4.0166 8.1314 108.0748 43.1606 0.0000 171.8556 40 P 4.2159 0.0000 0.0000 62.6753 29.7551 176.0483 41 T 4.5819 8.1920 111.4898 61.2321 69.3953 174.5632 42 Y 4.5608 8.1453 118.6580 57.1457 39.6048 174.3489 43 P 4.3883 0.0000 0.0000 65.3807 32.0209 176.6997 44 A 5.5547 8.0456 120.2957 49.8602 21.0364 175.6428 45 Q 4.7350 8.6290 122.9903 53.2616 31.8665 174.1256 46 V 4.6785 8.0083 126.5495 61.7028 34.1736 174.2733 47 E 5.2198 9.9843 125.3530 54.5326 34.1068 174.7014 48 L 4.2529 8.2047 125.9008 53.4511 43.5381 174.9862 49 V 4.5995 8.4887 128.1290 60.7773 33.3783 175.2568 50 V 3.9297 8.3504 128.7691 63.5349 31.9346 176.3191 51 E 4.1902 8.7412 126.3320 57.2938 30.2874 176.7518 52 K 4.5776 7.7375 117.1697 53.4517 36.0403 174.1284 53 P 4.4565 0.0000 0.0000 63.0156 31.4391 176.0374 54 V 4.6141 8.9045 116.1706 60.6650 36.7734 172.9119 55 Q 5.0382 8.6532 119.6604 54.4392 31.2511 175.2923 56 I 4.6718 9.0252 125.5388 59.2088 39.9071 175.6893 57 R 4.3049 8.6012 127.0774 56.0787 30.7323 177.6458 58 H 4.1842 9.0452 118.3239 58.3900 28.2028 177.2123 59 N 4.2328 8.1204 120.0627 56.2353 38.5006 176.9465 60 A 4.0048 7.8248 121.7105 54.9607 18.5416 179.4334 61 L 3.8642 7.6682 117.6029 57.7604 41.8378 178.5964 62 E 3.8230 8.2616 118.7719 59.4819 29.5624 179.0330 63 A 3.9584 8.2224 120.3493 55.0415 18.3431 179.3286 64 A 3.9548 8.1147 119.3385 55.3691 18.4149 179.8997 65 R 3.8543 8.7404 117.3902 59.9086 30.1939 178.4262 66 V 3.5985 8.4388 118.3213 65.8810 31.0443 177.7427 67 A 3.8599 8.7922 120.4033 54.9205 18.2957 179.2893 68 A 4.2788 7.7411 120.2284 53.9914 19.1613 179.0928 69 N 3.9572 8.2640 114.3579 56.9704 39.1980 176.3710 70 R 3.9821 8.3047 118.9800 59.9594 30.0081 177.3593 71 Y 4.2528 7.4079 116.1020 60.2306 38.6485 178.1512 72 V 3.2401 7.2644 116.1693 62.3895 30.8400 176.2556 73 Q 4.3981 8.3851 117.5938 56.8190 28.7829 175.9740 74 N 4.5209 7.5182 115.2960 53.5639 39.5954 174.9004 75 S 4.4313 7.7051 111.8902 58.5058 64.3595 174.6518 76 G 3.9411 7.9338 105.1631 44.7146 0.0000 173.4936 77 A 4.1082 8.3279 120.8376 54.0573 18.5638 178.4552 78 A 4.5659 7.8381 116.0816 51.6950 19.4355 175.7519 79 A 4.0055 7.9982 121.7507 53.8236 18.5995 177.7259 80 N 4.7373 8.3462 117.8906 53.3850 38.3728 173.2971 81 Y 4.8708 7.7653 123.1680 56.6641 40.7522 172.4125 82 K 5.1339 7.8300 118.7351 54.9816 35.9956 174.8431 83 F 5.9509 9.2238 126.0382 57.1883 42.7800 174.2855 84 R 4.9378 8.6983 120.8285 55.1991 35.1211 173.8137 85 I 4.3970 8.3487 125.0231 59.0069 39.0294 174.6447 86 R 4.7488 8.2272 126.0857 55.9519 30.0496 176.3775 87 K 4.8004 7.8779 117.3972 55.0586 35.4144 175.4202 88 F 4.7006 8.2454 119.3565 54.8488 42.1673 174.1550 89 P 5.1645 0.0000 0.0000 62.1545 29.9962 175.4243 90 F 4.9231 8.3725 124.2822 60.4143 40.5417 175.5677 91 H 4.5466 8.3949 120.0832 56.2937 30.6601 174.5363 92 V 4.3548 8.8739 128.2385 62.6523 32.1286 175.1052 93 I 4.6050 8.7135 122.1710 59.2347 39.9366 175.0007 94 R 5.2467 8.2685 120.8806 53.8706 32.8465 174.3339 95 E 4.4936 8.2346 118.2953 54.9081 32.9580 174.9985 96 N 4.8270 8.6377 127.8650 53.0049 37.6343 175.0981 97 K 4.4024 7.4593 125.2466 55.1585 32.2918 176.9745 *109 D 4.3883 7.5782 118.0504 54.7571 43.1424 172.1458 110 G 3.7880 8.1773 120.1475 45.6009 0.0000 173.3406 111 M 4.4303 8.8162 121.2131 54.5148 33.8608 176.2823 112 R 4.0288 7.8380 119.4735 56.8858 31.4847 175.6948 113 A 3.8116 8.5103 126.4110 52.8461 15.8712 175.2565 114 P 5.3354 0.0000 0.0000 62.1074 32.3705 176.2898 115 F 3.9517 8.2302 121.8186 58.4816 39.0070 174.6134 116 G 3.9408 8.0710 115.7376 46.2895 0.0000 171.3362 117 K 4.7848 8.1904 118.8520 53.8289 35.4648 173.0747 118 P 4.5118 0.0000 0.0000 63.5217 31.0300 175.6277 119 V 4.1314 8.5397 118.7705 62.7570 33.7283 176.1268 120 G 4.2291 7.2734 105.0636 46.0955 0.0000 172.1321 121 T 5.2878 8.3213 108.0348 60.0904 72.6019 172.7191 122 A 5.2993 9.1669 124.0601 50.2908 23.4482 174.3376 123 A 5.0507 9.4598 121.5070 50.3065 21.9370 176.1924 124 R 4.7632 8.6087 120.7443 55.0159 31.4962 175.9349 125 V 4.3859 8.7403 125.2050 61.3207 34.1455 174.2079 126 H 4.9091 8.7912 124.8600 53.7085 30.2414 174.6823 127 G 3.8979 8.5396 111.6767 47.7970 0.0000 173.2247 128 A 3.9384 9.5174 126.8293 51.4266 17.9978 177.5831 129 N 4.9076 7.9924 114.1224 52.1829 40.6242 173.9299 130 H 5.0097 8.3087 118.4944 54.8222 29.5823 174.8676 131 I 3.8569 8.3729 124.0036 62.2535 39.3472 175.2552 132 F 5.4454 7.7176 119.1688 55.7178 43.1810 174.3674 133 I 5.3023 9.0287 121.9639 60.1032 41.6385 173.9487 134 A 5.3736 8.9427 127.5420 49.8651 22.7634 174.8918 135 W 4.9455 9.2004 119.5918 54.8578 32.1127 175.1968 136 V 4.5738 9.0041 124.4414 59.9121 34.8172 175.5794 137 N 5.0412 8.7684 119.0216 51.6378 40.5880 174.6259 138 P 4.6314 0.0000 0.0000 63.0456 29.0524 176.8196 139 D 4.7323 7.3895 122.7649 52.7310 42.0418 175.8570 140 P 4.5164 0.0000 0.0000 62.2871 29.9291 176.7604 141 N 4.6656 7.7508 118.6176 54.2353 39.5911 176.8522 142 V 3.1833 7.4053 120.6673 64.5912 30.9669 177.4926 143 E 4.0187 7.9351 117.6772 57.9361 29.5446 177.0079 144 E 4.2806 8.2478 118.3925 57.8859 30.7075 177.0394 145 A 3.9407 7.7409 120.0102 53.6837 18.3439 178.7465 146 W 4.7337 7.7568 116.6036 58.2498 29.9870 178.2672 147 R 3.9574 7.5434 118.1220 59.2211 29.5186 178.2446 148 R 4.1262 7.8556 117.0270 58.4556 30.3413 178.1839 149 A 4.1415 7.8426 120.7471 54.8354 18.3552 179.1516 150 K 4.1556 7.9264 112.2965 58.1472 32.4494 177.5285 151 M 4.1812 7.5194 120.5349 57.3393 32.4499 176.8528 152 K 4.5736 8.4665 116.7322 55.9030 32.5217 176.0680 153 V 4.5654 7.3518 111.0402 59.4958 34.8282 176.1761 154 T 3.9908 8.6161 118.9152 66.1741 68.4606 173.6065 155 P 4.5723 0.0000 0.0000 62.0426 32.7401 175.7964 156 T 4.2140 8.1079 116.0863 64.1768 69.7327 173.1376 157 I 4.9835 8.0075 122.3665 59.9737 42.0370 173.8468 158 N 4.7675 9.1248 123.0425 52.2207 40.9571 174.0181 159 I 4.5778 8.4332 128.0505 60.2869 36.5227 172.7680 160 D 4.7828 8.8996 125.8196 52.7358 42.8450 174.5302 161 S 4.7106 8.7238 120.6344 58.4492 63.8456 171.3433 162 S 4.3559 9.5448 121.4513 59.0494 64.3225 174.2697 163 P 4.5542 0.0000 0.0000 62.6765 30.6374 174.8056 164 A 4.4258 8.0031 120.1924 51.8783 20.3951 175.9405 165 G 4.0720 8.4061 107.5627 45.4498 0.0000 171.8370 166 N 4.6755 7.8276 116.2739 52.5645 38.4265 175.1482 167 A 4.1810 7.7560 125.2179 52.5406 18.5661 177.9380 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 K 8.31 4.34 0.00 1.91 1.90 0.00 1.91 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.30 0.00 2.24 1.96 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 2.10 2.14 0.00 3 G 8.98 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 4 A 7.96 4.08 1.27 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 5 M 7.45 3.96 0.00 1.04 1.72 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 6 Y 7.54 4.76 0.00 3.02 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 7 R 8.29 4.45 0.00 2.02 2.34 0.00 3.02 0.00 0.00 3.39 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 8 N 7.59 5.06 0.00 2.71 2.76 0.00 0.00 6.86 7.37 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 9 S 8.33 4.68 0.00 3.84 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 10 S 7.67 4.62 0.00 3.95 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 11 K 7.78 4.39 0.00 1.84 1.80 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 12 P 0.00 4.41 0.00 2.14 2.06 0.00 3.72 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 2.08 2.13 0.00 13 A 8.58 4.19 1.32 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 14 Y 8.79 4.85 0.00 3.09 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 15 T 7.94 4.47 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 1.45 0.00 0.00 16 R 7.55 4.43 0.00 1.98 1.99 0.00 3.50 0.00 0.00 3.28 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 17 R 8.17 3.97 0.00 1.73 1.91 0.00 3.26 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.49 0.00 18 E 7.71 4.10 0.00 1.56 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 1.47 1.47 0.00 19 Y 7.69 5.14 0.00 3.04 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 20 I 7.58 4.81 1.79 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.95 0.00 0.00 21 S 8.11 4.65 0.00 3.92 3.79 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 22 G 8.67 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 23 I 7.79 4.06 1.88 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 0.60 0.92 0.00 0.00 24 P 0.00 4.25 0.00 2.02 2.00 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 25 G 8.52 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 26 K 8.22 4.20 0.00 1.75 1.77 0.00 1.92 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.68 1.51 7.81 27 K 8.79 4.27 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.54 7.81 28 I 7.80 4.80 1.85 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.83 0.14 0.00 0.00 29 A 8.83 4.17 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 30 Q 7.67 4.91 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 31 F 8.93 4.42 0.00 3.04 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 32 D 8.29 5.35 0.00 2.67 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 33 M 8.64 4.85 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 34 G 8.86 3.37 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 0.00 35 N 8.66 4.67 0.00 2.76 2.76 0.00 0.00 7.16 7.34 0.00 0.00 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 N 8.15 4.74 0.00 2.85 2.98 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.00 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 0.00 0.00 0.00 38 A 7.60 4.75 1.23 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 0.00 0.00 39 G 8.13 4.02 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 0.00 0.00 0.00 40 P 0.00 4.22 0.00 1.60 0.67 0.00 3.40 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.13 0.00 41 T 8.19 4.58 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 1.19 0.00 0.00 42 Y 8.15 4.56 0.00 3.15 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 43 P 0.00 4.39 0.00 2.13 2.16 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 44 A 8.05 5.55 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 45 Q 8.63 4.73 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 1.99 1.16 0.00 46 V 8.01 4.68 1.89 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 1.23 0.00 0.00 0.84 0.00 0.00 47 E 9.98 5.22 0.00 1.78 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 2.11 2.31 0.00 48 L 8.20 4.25 0.00 0.27 0.91 0.57 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.49 4.60 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 0.92 0.00 0.00 0.89 0.00 0.00 50 V 8.35 3.93 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 0.87 0.00 0.00 0.86 0.00 0.00 51 E 8.74 4.19 0.00 2.02 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 2.28 2.25 0.00 52 K 7.74 4.58 0.00 1.65 1.62 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.41 7.81 53 P 0.00 4.46 0.00 1.93 1.70 0.00 3.63 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 1.93 2.06 0.00 54 V 8.90 4.61 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 0.72 0.00 0.00 0.96 0.00 0.00 55 Q 8.65 5.04 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 56 I 9.03 4.67 1.82 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 1.21 0.96 0.87 0.00 0.00 57 R 8.60 4.30 0.00 1.83 1.78 0.00 2.89 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 58 H 9.05 4.18 0.00 3.32 3.53 0.00 5.26 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.12 4.23 0.00 2.73 2.78 0.00 0.00 6.76 6.57 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 60 A 7.82 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 3.86 0.00 1.67 1.54 0.73 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.26 3.82 0.00 2.11 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 2.37 2.38 0.00 63 A 8.22 3.96 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 64 A 8.11 3.95 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 65 R 8.74 3.85 0.00 2.14 2.11 0.00 3.19 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 66 V 8.44 3.60 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 0.97 0.00 0.00 1.01 0.00 0.00 67 A 8.79 3.86 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 68 A 7.74 4.28 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 69 N 8.26 3.96 0.00 3.00 2.95 0.00 0.00 7.23 7.37 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 70 R 8.30 3.98 0.00 1.87 2.05 0.00 3.34 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 71 Y 7.41 4.25 0.00 3.08 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 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6.82 7.54 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 81 Y 7.77 4.87 0.00 2.98 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 82 K 7.83 5.13 0.00 1.93 1.94 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.68 7.81 83 F 9.22 5.95 0.00 3.29 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 84 R 8.70 4.94 0.00 2.19 1.99 0.00 3.36 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.19 0.00 85 I 8.35 4.40 1.59 0.00 0.00 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 0.91 0.14 0.49 0.00 0.00 86 R 8.23 4.75 0.00 1.95 2.10 0.00 3.20 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 87 K 7.88 4.80 0.00 1.55 1.63 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.25 7.81 88 F 8.25 4.70 0.00 1.81 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 89 P 0.00 5.16 0.00 2.19 2.10 0.00 3.42 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 90 F 8.37 4.92 0.00 3.05 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 91 H 8.39 4.55 0.00 3.37 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.87 4.35 2.31 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 0.96 0.00 0.00 0.99 0.00 0.00 93 I 8.71 4.60 1.47 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.24 0.96 0.00 0.00 94 R 8.27 5.25 0.00 1.60 1.91 0.00 2.21 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.12 0.00 95 E 8.23 4.49 0.00 2.20 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 0.00 2.39 2.34 0.00 96 N 8.64 4.83 0.00 2.91 2.68 0.00 0.00 6.91 6.97 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 125 V 8.74 4.39 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 0.84 0.00 0.00 0.86 0.00 0.00 126 H 8.79 4.91 0.00 3.27 3.21 0.00 5.90 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 0.00 127 G 8.54 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 0.00 0.00 0.00 128 A 9.52 3.94 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 0.00 129 N 7.99 4.91 0.00 2.73 2.66 0.00 0.00 6.62 8.28 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 0.00 130 H 8.31 5.01 0.00 3.22 3.20 0.00 5.52 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.37 3.86 1.63 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.95 0.65 0.00 0.00 132 F 7.72 5.45 0.00 2.56 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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141 N 7.75 4.67 0.00 2.55 2.76 0.00 0.00 6.73 7.68 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 0.00 142 V 7.41 3.18 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 0.46 0.00 0.00 -0.38 0.00 0.00 143 E 7.94 4.02 0.00 1.91 1.99 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 2.33 2.42 0.00 144 E 8.25 4.28 0.00 1.96 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 0.00 1.78 1.55 0.00 145 A 7.74 3.94 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 0.00 146 W 7.76 4.73 0.00 3.49 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 0.00 147 R 7.54 3.96 0.00 1.77 1.93 0.00 3.21 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 148 R 7.86 4.13 0.00 1.79 1.88 0.00 2.88 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 149 A 7.84 4.14 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 0.00 150 K 7.93 4.16 0.00 1.85 1.88 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.50 7.81 151 M 7.52 4.18 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 152 K 8.47 4.57 0.00 1.73 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.38 7.81 153 V 7.35 4.57 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 0.78 0.00 0.00 1.00 0.00 0.00 154 T 8.62 3.99 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 0.00 155 P 0.00 4.57 0.00 2.15 2.02 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 156 T 8.11 4.21 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 1.22 0.00 0.00 157 I 8.01 4.98 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 0.79 0.00 0.00 158 N 9.12 4.77 0.00 2.67 2.70 0.00 0.00 7.51 8.01 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 0.00 159 I 8.43 4.58 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 1.13 0.00 0.00 160 D 8.90 4.78 0.00 2.89 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 0.00 161 S 8.72 4.71 0.00 3.95 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 0.00 162 S 9.54 4.36 0.00 3.97 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 0.00 163 P 0.00 4.55 0.00 2.36 2.11 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 164 A 8.00 4.43 1.23 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 0.00 0.00 165 G 8.41 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 N 7.83 4.68 0.00 2.74 2.84 0.00 0.00 7.05 7.35 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 0.00 167 A 7.76 4.18 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 * Residues marked with a * may have inaccurate shift predictions.