NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2927 8.3349 115.2908 57.7788 62.7179 171.8966 2 L 3.8842 7.8553 120.0379 53.2921 41.4924 176.4756 3 S 4.7582 9.0230 124.4126 57.8430 64.4335 174.6186 4 I 3.9016 7.4610 120.4409 63.3277 38.0914 177.9027 5 G 4.0926 9.4668 109.7521 44.5118 0.0000 171.7703 6 R 4.8718 8.6681 114.6166 54.9627 33.6958 175.5868 7 T 4.6245 8.4988 106.8835 62.2110 70.1232 173.7533 8 C 5.3587 7.5566 122.2794 58.3233 34.6024 172.7697 9 W 5.1906 9.9357 124.8779 55.1019 33.5995 173.8851 10 A 5.2051 8.6545 121.5176 50.6595 22.1064 175.7844 11 I 4.4904 8.9849 121.4611 59.4401 39.7238 176.7575 12 A 3.8285 8.9054 130.8669 53.9763 18.7313 176.5557 13 E 4.4607 7.4219 115.6855 54.6822 32.0681 175.7193 14 G 2.6363 8.7261 107.6134 45.1227 0.0000 171.9946 15 Y 5.2386 7.8968 123.9698 57.0316 42.5560 172.5817 16 I 4.3311 7.8232 127.5771 60.1999 39.6789 172.8743 17 P 4.2027 0.0000 0.0000 63.1850 30.5552 176.5097 *25 P 4.5199 0.0000 0.0000 63.4408 32.7164 176.5831 26 Q 4.4959 8.9374 119.0300 58.5336 31.1639 177.4085 27 F 4.7247 9.0289 108.5199 57.3398 37.7709 174.4092 28 I 4.1853 7.1353 122.2482 59.7980 38.5769 175.3411 29 S 4.6711 7.8964 118.3844 57.1113 65.2034 172.7988 30 H 4.7882 7.8254 114.4368 54.6283 30.6546 171.9673 31 E 4.4609 8.9238 118.0778 57.5855 28.7073 176.0466 32 T 4.8930 8.2402 118.1729 61.3363 72.9618 173.3955 33 V 4.1479 8.5302 124.8890 61.4348 33.7249 174.0152 34 C 4.5723 8.5952 126.9170 58.7008 29.6512 173.1660 35 I 4.9203 8.4804 123.9425 59.2708 40.6926 174.2896 36 L 4.8563 8.6118 126.5023 53.4465 45.6397 174.9131 37 N 5.2595 9.1189 123.2843 51.7243 40.0705 173.5390 38 A 4.5102 8.5182 123.2200 51.8418 19.7407 177.1501 39 G 3.9568 7.8743 105.3450 46.1276 0.0000 174.3485 40 D 4.8455 8.6748 117.5502 54.1520 41.4617 176.1814 41 E 4.7465 7.6734 120.2784 53.8201 31.9464 175.2221 42 D 4.6151 8.8700 125.7099 54.9392 42.0663 175.6264 43 A 4.5970 9.3090 124.9161 51.0824 20.7476 176.0554 44 H 5.0641 9.6887 121.9309 54.8253 28.7633 174.5147 45 V 4.3005 8.5425 123.5995 62.5243 33.3323 174.4223 46 E 4.9652 9.4271 126.1824 54.8512 33.1034 174.5296 47 I 5.1371 8.7590 125.7567 59.9340 39.9646 174.9092 48 T 5.0270 8.9488 122.5187 61.8543 71.9654 172.8682 49 I 4.8217 8.0219 125.7971 59.8901 39.5785 174.3375 50 Y 4.9107 9.3475 124.5670 56.4364 41.1346 174.2693 51 Y 5.3749 8.5143 118.6477 56.2584 41.6014 175.6986 52 S 4.5532 9.0896 113.9712 59.6054 63.8044 174.6153 53 D 4.8736 8.2634 117.7431 52.1679 40.8720 175.1876 54 K 4.6972 7.8270 117.0347 54.2289 35.4929 175.2779 55 E 4.2515 8.4928 118.8544 55.6172 30.0064 175.2901 56 P 4.4159 0.0000 0.0000 62.8219 32.4669 176.2557 57 V 4.0636 8.9987 123.9639 63.1488 32.7560 174.9858 58 G 3.8156 7.9289 114.5858 41.0000 0.0000 171.2816 59 P 4.6251 0.0000 0.0000 63.0404 31.9506 176.7457 60 Y 4.4655 9.5075 124.9921 56.7789 38.2042 175.8146 61 R 4.7224 8.4925 123.2436 56.1239 31.5208 175.8224 62 L 4.4718 7.6961 120.5190 55.1439 46.3692 172.9702 63 T 5.1660 8.6764 119.4541 61.7195 72.2397 173.7181 64 V 4.3073 8.8983 125.1403 60.2973 33.8585 173.1220 65 P 4.8758 0.0000 0.0000 62.3403 31.9617 176.3669 66 A 4.1564 8.9173 124.6727 52.2871 19.0174 177.6867 67 R 3.7950 8.3972 117.9803 56.9687 28.5746 176.0827 68 R 4.7567 7.9021 113.6872 55.2208 35.5759 174.9796 69 T 5.0228 7.8624 114.6495 60.4064 71.0422 173.0199 70 K 4.1785 8.5566 119.4427 56.0612 36.1903 173.2868 71 H 5.0453 9.0973 125.5817 54.9593 30.2915 174.9306 72 V 4.2724 8.4929 122.8431 60.9645 34.3637 174.8370 73 R 4.5622 8.4654 127.6113 55.5865 31.0786 177.7504 74 F 4.1641 9.1432 122.3968 60.5408 39.2535 177.2473 75 N 4.3562 8.3418 118.0413 56.6973 38.7797 175.2767 76 D 4.5857 7.7566 115.5192 55.5094 41.1475 176.5768 77 L 4.4138 7.9376 121.5214 54.6565 42.4445 177.2473 78 N 4.9982 8.8475 116.1956 52.5125 40.8329 173.4212 79 D 5.0648 7.9408 117.8920 51.3114 43.1672 173.6554 80 P 4.1629 0.0000 0.0000 65.3274 31.4996 176.0567 81 A 5.1699 6.8613 116.3766 50.3255 22.0333 173.7867 82 P 4.8408 0.0000 0.0000 61.7817 32.1007 176.5686 83 I 4.0762 8.0896 122.0571 59.6414 37.5762 174.3586 84 P 4.1246 0.0000 0.0000 63.3369 31.4518 176.1815 85 H 4.3658 8.6643 120.1990 55.5039 29.5982 173.7650 86 D 4.2784 8.4814 116.9175 54.2686 39.9675 173.6992 87 T 4.8074 7.6174 111.8830 61.6499 72.2659 173.5831 88 D 5.1443 9.1125 126.9944 54.3307 41.5283 175.4602 89 F 5.1695 8.8517 118.4343 55.3097 41.5728 173.1874 90 A 4.6311 8.8345 119.0801 50.8517 23.0905 175.1738 91 S 5.3436 9.0876 112.8008 57.1141 67.4338 173.1614 92 V 4.9337 9.0850 120.2406 61.3140 34.5765 174.0202 93 I 5.0362 8.9735 128.9901 59.8005 39.5125 174.7926 94 Q 5.3120 9.0464 125.1532 54.4551 32.7874 174.3121 95 S 5.2971 8.9887 114.8904 56.6734 65.5646 173.5701 96 N 4.7180 8.9115 120.0709 54.5592 37.9911 175.3588 97 V 4.6463 7.8828 111.3635 58.3377 35.7831 173.9524 98 P 4.6381 0.0000 0.0000 63.3736 31.8193 175.7262 99 I 4.8685 9.1330 116.6916 59.2956 42.0500 173.8592 100 V 4.4405 8.4373 122.5288 60.9859 33.5733 174.3416 101 V 4.3326 5.4500 126.9824 60.7681 33.8856 174.2928 102 Q 4.5312 8.6354 127.7958 54.6615 32.5875 173.0554 103 H 5.2207 8.6190 124.3957 54.8024 33.2971 172.5159 104 T 4.1164 8.2123 122.0318 62.1739 69.5126 174.6188 105 R 3.8889 8.8518 122.6424 57.5727 29.7470 177.8514 106 L 3.6867 8.1178 125.0605 57.2934 43.0396 177.8671 107 D 4.3689 8.1968 119.1321 56.8056 39.1043 178.4589 108 S 4.0718 8.0818 116.3851 60.9534 62.7684 176.1422 109 R 3.9761 7.9491 121.5816 59.2757 29.8887 177.9521 110 Q 3.9948 8.3079 117.3057 59.1293 28.8411 179.3604 111 A 3.9585 8.1880 121.4368 55.2190 18.3964 179.4587 112 E 3.9020 8.3104 117.0593 59.8702 29.6399 179.3632 113 N 4.2577 8.2727 116.0581 56.1537 38.4800 177.3746 114 A 3.9426 7.8805 122.1154 55.3080 18.3549 179.6828 115 L 3.9846 7.7127 116.0249 57.6920 41.7047 179.4593 116 L 4.2169 8.1882 119.8247 58.8545 42.5104 178.4476 117 S 4.5349 9.0069 114.6925 61.8509 63.6264 173.9849 118 T 3.9742 8.5254 124.2466 65.4270 66.6378 174.0757 119 I 3.7306 8.3184 125.8286 61.4094 37.3972 174.4630 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 S 8.33 4.29 0.00 3.88 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 2 L 7.86 3.88 0.00 1.75 1.66 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.02 4.76 0.00 3.99 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 4 I 7.46 3.90 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.96 0.00 0.00 5 G 9.47 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.67 4.87 0.00 1.69 1.86 0.00 2.30 0.00 0.00 2.64 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.86 0.00 7 T 8.50 4.62 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 8 C 7.56 5.36 0.00 2.95 2.70 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 0.00 0.00 0.00 9 W 9.94 5.19 0.00 3.24 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 10 A 8.65 5.21 1.16 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 0.00 0.00 0.00 11 I 8.98 4.49 1.85 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 1.24 0.91 0.83 0.00 0.00 12 A 8.91 3.83 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 13 E 7.42 4.46 0.00 1.88 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 2.18 2.25 0.00 14 G 8.73 2.64 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 0.00 15 Y 7.90 5.24 0.00 2.99 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 16 I 7.82 4.33 1.59 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 0.55 0.00 0.00 17 P 0.00 4.20 0.00 1.99 1.73 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 *25 P 0.00 4.52 0.00 2.07 2.33 0.00 3.54 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 2.03 2.20 0.00 26 Q 8.94 4.50 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 27 F 9.03 4.72 0.00 3.25 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 28 I 7.14 4.19 1.67 0.00 0.00 -0.62 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 0.12 0.97 0.00 0.00 29 S 7.90 4.67 0.00 4.03 3.80 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 30 H 7.83 4.79 0.00 3.27 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.92 4.46 0.00 2.10 2.42 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 2.62 2.48 0.00 32 T 8.24 4.89 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 1.17 0.00 0.00 33 V 8.53 4.15 1.69 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 0.90 0.00 0.00 0.39 0.00 0.00 34 C 8.60 4.57 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 4.92 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.60 0.85 0.00 0.00 36 L 8.61 4.86 0.00 1.66 1.36 0.96 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.12 5.26 0.00 2.77 2.74 0.00 0.00 6.98 7.73 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 38 A 8.52 4.51 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 39 G 7.87 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 40 D 8.67 4.85 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 41 E 7.67 4.75 0.00 1.93 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 2.13 2.27 0.00 42 D 8.87 4.62 0.00 2.56 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 43 A 9.31 4.60 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 44 H 9.69 5.06 0.00 3.16 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.54 4.30 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 1.01 0.00 0.00 0.95 0.00 0.00 46 E 9.43 4.97 0.00 1.96 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 2.26 2.31 0.00 47 I 8.76 5.14 1.93 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 1.28 0.74 0.97 0.00 0.00 48 T 8.95 5.03 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 0.91 0.00 0.00 49 I 8.02 4.82 1.75 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 0.81 0.66 0.37 0.00 0.00 50 Y 9.35 4.91 0.00 2.80 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 51 Y 8.51 5.37 0.00 3.09 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 52 S 9.09 4.55 0.00 4.04 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 53 D 8.26 4.87 0.00 2.76 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 54 K 7.83 4.70 0.00 1.82 1.77 0.00 1.34 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.17 1.30 7.81 55 E 8.49 4.25 0.00 2.00 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 2.35 2.30 0.00 56 P 0.00 4.42 0.00 1.66 0.95 0.00 3.64 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 1.95 1.94 0.00 57 V 9.00 4.06 2.39 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 1.05 0.00 0.00 1.26 0.00 0.00 58 G 7.93 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 59 P 0.00 4.63 0.00 1.96 2.08 0.00 3.63 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 2.03 2.14 0.00 60 Y 9.51 4.47 0.00 3.01 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 61 R 8.49 4.72 0.00 1.71 1.87 0.00 3.25 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 62 L 7.70 4.47 0.00 1.68 1.48 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.68 5.17 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 64 V 8.90 4.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 65 P 0.00 4.88 0.00 1.97 1.98 0.00 3.75 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 2.03 2.11 0.00 66 A 8.92 4.16 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 67 R 8.40 3.80 0.00 1.94 1.98 0.00 3.14 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 68 R 7.90 4.76 0.00 1.92 1.74 0.00 3.22 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 69 T 7.86 5.02 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 1.20 0.00 0.00 70 K 8.56 4.18 0.00 1.80 1.57 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 1.30 7.81 71 H 9.10 5.05 0.00 2.97 3.17 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.49 4.27 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 0.64 0.00 0.00 0.85 0.00 0.00 73 R 8.47 4.56 0.00 2.03 1.87 0.00 3.20 0.00 0.00 3.50 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 74 F 9.14 4.16 0.00 3.22 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 75 N 8.34 4.36 0.00 2.70 2.89 0.00 0.00 7.00 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 76 D 7.76 4.59 0.00 2.90 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 77 L 7.94 4.41 0.00 2.07 1.72 0.93 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.85 5.00 0.00 2.91 3.02 0.00 0.00 5.71 8.07 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 79 D 7.94 5.06 0.00 2.56 2.54 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 80 P 0.00 4.16 0.00 1.77 1.93 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 81 A 6.86 5.17 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 82 P 0.00 4.84 0.00 2.06 2.01 0.00 3.73 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 83 I 8.09 4.08 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.09 0.25 0.00 0.00 84 P 0.00 4.12 0.00 1.99 1.96 0.00 3.71 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 1.75 2.02 0.00 85 H 8.66 4.37 0.00 3.05 3.25 0.00 5.87 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 86 D 8.48 4.28 0.00 2.71 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 87 T 7.62 4.81 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 1.43 0.00 0.00 88 D 9.11 5.14 0.00 2.66 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 89 F 8.85 5.17 0.00 2.65 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 4.63 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 91 S 9.09 5.34 0.00 4.08 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 92 V 9.09 4.93 2.36 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 1.12 0.00 0.00 0.95 0.00 0.00 93 I 8.97 5.04 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.53 0.97 0.00 0.00 94 Q 9.05 5.31 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 95 S 8.99 5.30 0.00 3.91 3.80 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 96 N 8.91 4.72 0.00 2.78 2.96 0.00 0.00 5.82 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 97 V 7.88 4.65 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 0.70 0.00 0.00 0.99 0.00 0.00 98 P 0.00 4.64 0.00 1.99 2.25 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 99 I 9.13 4.87 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 1.02 0.00 0.00 100 V 8.44 4.44 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 0.81 0.00 0.00 0.99 0.00 0.00 101 V 5.45 4.33 0.67 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 0.60 0.00 0.00 0.07 0.00 0.00 102 Q 8.64 4.53 0.00 1.98 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 103 H 8.62 5.22 0.00 3.14 3.13 0.00 5.97 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.21 4.12 4.14 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 1.18 0.00 0.00 105 R 8.85 3.89 0.00 2.13 2.10 0.00 2.99 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 106 L 8.12 3.69 0.00 1.81 1.68 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.20 4.37 0.00 2.89 2.90 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 0.00 108 S 8.08 4.07 0.00 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.95 3.98 0.00 1.88 2.16 0.00 3.36 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 110 Q 8.31 3.99 0.00 2.29 2.17 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 2.42 2.44 0.00 111 A 8.19 3.96 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 0.00 112 E 8.31 3.90 0.00 2.15 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 2.34 2.58 0.00 113 N 8.27 4.26 0.00 2.90 2.79 0.00 0.00 6.98 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 0.00 114 A 7.88 3.94 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 0.00 115 L 7.71 3.98 0.00 1.82 1.78 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.19 4.22 0.00 1.90 1.95 1.02 1.05 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 0.00 117 S 9.01 4.53 0.00 4.06 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 0.00 118 T 8.53 3.97 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 1.23 0.00 0.00 119 I 8.32 3.73 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.41 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.