NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4753 8.1693 120.6389 54.9760 42.8591 175.4989 8 H 4.9232 8.2357 115.0469 53.3454 32.1358 170.7573 9 K 4.6199 9.4463 121.4374 56.0035 33.5357 177.2307 10 E 5.0345 9.3217 123.8755 53.6963 33.3454 173.8796 11 P 4.8692 0.0000 0.0000 63.2842 32.5644 174.8138 12 A 4.8098 8.0543 121.3305 51.8433 22.9362 175.6592 13 T 4.7072 8.3838 114.6954 61.3068 72.6080 173.7716 14 L 4.2406 8.6121 127.1585 55.9049 42.3304 175.8442 15 I 4.3053 8.7494 127.5933 62.4073 38.1799 175.8477 16 K 4.6176 7.6308 120.9851 54.8186 35.6105 174.4625 17 A 4.3522 8.8018 130.2919 52.6328 18.3441 175.4186 18 I 4.3965 7.7413 119.8548 61.6801 40.7323 177.8599 19 D 4.7432 7.8998 119.6231 51.9468 42.0409 175.7404 20 G 3.6993 9.0845 106.7224 48.9785 0.0000 173.7379 21 D 5.1423 8.4813 116.9264 52.6228 41.4731 175.4034 22 T 5.8087 8.2595 108.7100 59.5660 72.4058 173.1219 23 V 4.7728 8.3331 122.1978 60.3060 35.4294 172.9868 24 K 5.0168 9.2074 124.7477 55.1686 33.7121 175.1017 25 L 5.3182 9.0756 127.0663 53.0539 46.2232 175.2606 26 M 4.8973 9.1918 122.1526 55.1053 33.5475 174.2934 27 Y 5.0978 9.1881 127.6995 56.4785 42.3721 175.4883 28 K 3.6532 9.4859 125.2138 57.3696 29.8821 175.8615 29 G 3.9640 8.4801 104.5885 45.4845 0.0000 173.8209 30 Q 4.7033 7.9120 119.5075 52.7552 31.2300 173.2438 31 P 4.9367 0.0000 0.0000 63.5725 32.2378 175.3675 32 M 4.7126 8.8231 120.9727 54.7844 36.4047 173.4293 33 T 4.6834 8.4707 122.5261 63.2373 70.4055 173.3393 34 F 5.0019 9.5083 125.4155 55.7230 41.6300 174.5124 35 R 5.0520 9.1954 124.1760 54.4806 32.0309 175.0669 36 L 4.4340 8.7104 127.5515 54.3506 42.0843 177.1588 37 L 3.9358 8.5303 124.4121 55.6651 42.8667 177.9696 38 L 4.4049 8.9007 119.9527 55.5013 39.1142 173.9706 39 V 5.1196 7.3220 110.5105 59.9352 36.3073 174.7333 40 D 4.9521 9.0549 121.6906 53.3741 44.2252 174.3415 41 T 4.9040 8.7372 116.8886 59.7918 70.4848 173.1390 42 P 4.5545 0.0000 0.0000 63.0288 32.2298 176.1488 43 E 4.0035 9.6588 122.2921 56.7703 30.1954 177.7566 *50 F 4.5199 8.5978 123.4705 58.3151 41.0064 175.8157 51 N 4.5307 8.2914 115.1697 54.0011 37.8996 174.4584 52 E 4.4524 7.8623 119.6728 54.2267 31.5195 175.0239 53 K 3.9512 8.1342 121.3584 57.7693 32.7065 176.9230 54 Y 3.9696 7.5672 120.5797 58.7930 36.5709 171.6490 55 G 3.5894 7.8553 107.2794 47.5393 0.0000 174.0113 56 P 4.0391 0.0000 0.0000 65.0482 31.1345 178.6214 57 E 4.0383 7.9852 116.7221 59.1968 29.4960 179.0920 58 A 4.0392 8.3825 121.1618 55.2489 18.1046 179.6916 59 S 4.2265 8.3527 113.5850 61.9542 62.9429 176.9284 60 A 4.1319 8.1979 123.2524 55.0100 18.1097 179.4447 61 F 3.9859 8.5333 119.1550 61.8874 39.4987 177.5148 62 T 3.9679 8.3211 115.3375 66.3816 68.2094 176.3094 63 K 3.8282 8.4054 121.9556 59.5688 32.1787 178.5855 64 K 3.8414 8.1303 119.6095 59.6025 31.9013 178.2075 65 M 3.8340 7.5345 117.0280 58.9714 31.9245 178.3650 66 V 3.7994 7.9986 112.5125 64.1743 31.5119 178.5690 67 E 4.0231 8.1752 117.8271 59.3630 29.4476 178.0078 68 N 4.4421 8.4554 114.5679 54.7265 38.8875 175.3679 69 A 4.3987 7.2538 121.8670 51.6456 18.9297 177.8934 70 K 4.1417 8.9081 122.2986 58.4369 33.4393 177.2066 71 K 4.5715 8.7107 121.3958 54.5774 35.1787 174.8952 72 I 5.0455 8.4231 127.6956 59.7652 39.9375 174.4570 73 E 4.9675 9.1736 124.7610 54.5763 34.1347 174.5616 74 V 4.4169 8.7625 123.0078 60.9813 34.2268 174.0526 75 E 5.1090 8.8164 128.1894 53.1929 31.8705 175.0320 76 F 4.6421 8.7263 125.5616 57.6638 40.1408 175.5222 77 D 5.0757 8.4441 120.3164 53.4299 43.2122 175.7222 78 K 4.3546 8.6662 116.5026 57.7869 33.2815 178.2510 79 G 4.1887 8.3800 111.3418 44.5803 0.0000 173.5471 80 Q 4.0696 8.5965 121.7210 56.5215 29.2503 176.8263 81 R 4.5035 8.4671 118.9144 56.7481 31.0798 176.1076 82 T 5.0062 7.4337 107.3922 59.5779 71.7598 173.5296 83 D 4.8446 8.6122 124.4798 51.7593 41.3873 177.0868 84 K 3.8650 8.1802 117.2196 59.5572 32.4294 177.1058 85 Y 4.3803 7.8091 115.4885 57.8116 38.0759 176.2415 86 G 3.9373 8.1872 108.6630 45.1649 0.0000 174.0871 87 R 4.2278 8.3505 119.9156 55.5080 31.4910 176.4955 88 G 3.6259 8.6033 111.0491 46.1132 0.0000 172.4548 89 L 5.3008 9.5553 123.9394 52.2113 43.4465 175.6709 90 A 4.4283 8.2001 124.1431 50.9153 23.2490 173.8340 91 Y 4.7442 8.6534 117.5054 57.2757 39.7383 175.1252 92 I 4.7996 8.5804 124.7864 59.7220 39.9880 174.2921 93 Y 5.0658 9.2731 123.7288 56.0787 41.8793 174.8706 94 A 4.8158 8.9771 124.0875 50.0545 21.7585 176.0788 95 D 4.0978 10.1084 124.8341 56.2066 39.0505 175.6780 96 G 4.0282 8.5567 106.7582 45.1213 0.0000 173.8286 97 K 4.4602 7.8107 120.0866 55.0990 33.5117 175.4612 98 M 3.9159 8.4327 123.3543 54.8192 33.1380 177.0265 99 V 3.6262 8.6253 127.2612 66.0474 31.6274 177.6905 100 N 4.3177 7.9620 115.7207 56.4458 38.4345 176.7974 101 E 3.9057 8.0813 119.8127 59.1211 29.8470 178.3461 102 A 4.0685 8.1828 120.8776 55.2374 18.4204 179.5764 103 L 3.3661 8.0803 117.3596 57.7148 41.7130 179.8131 104 V 3.8461 7.4121 119.3203 65.5785 31.2594 177.9546 105 R 4.1317 8.0057 117.1393 59.4738 29.9866 177.6246 106 Q 4.2704 7.7866 114.6897 55.3169 29.0017 176.1210 107 G 3.9971 8.5440 109.0295 46.8062 0.0000 175.0020 108 L 4.4599 7.8538 118.4658 54.1836 42.3928 176.5731 109 A 4.8781 7.5843 119.9741 50.0818 23.0919 175.0918 110 K 4.7499 8.5545 119.0618 54.6819 34.7350 176.4734 111 V 4.2611 9.0550 123.9308 63.4330 32.0070 175.0317 112 A 4.2750 9.1104 127.3706 51.2864 23.3467 175.0057 113 Y 3.1983 7.7418 113.4317 58.9132 35.3648 172.6788 114 V 3.8338 7.4680 119.5352 62.5497 30.9957 173.8217 115 Y 4.8313 8.1307 124.8591 55.9591 39.8215 177.4225 116 K 4.2243 8.7822 124.1857 60.2215 32.9245 177.9367 117 G 3.8238 8.0754 107.3123 46.3558 0.0000 173.2243 118 N 5.1788 8.0739 116.3660 51.8884 38.9436 173.7517 119 N 5.2083 7.8607 112.3213 52.7047 39.0579 177.3028 120 T 3.8208 8.9980 117.9743 67.7450 68.6896 175.0093 121 H 4.7940 8.0269 116.1137 55.8083 29.0629 176.6283 122 E 3.9827 8.3551 122.6969 60.0433 29.3375 179.2274 123 Q 3.9901 8.0543 117.1070 58.4051 28.9156 178.1979 124 L 3.9310 7.9093 121.2000 58.3150 42.1538 178.9838 125 L 4.0401 8.0595 118.8060 57.8706 41.5130 179.7532 126 R 3.9991 8.3018 118.2077 58.7844 29.9540 179.0975 127 K 3.8560 8.1543 119.4743 59.4052 32.2526 178.6612 128 A 3.9583 7.8236 120.7527 55.2459 18.2160 179.2182 129 E 3.8516 8.5709 117.9811 59.2627 29.6825 178.8155 130 A 3.7662 8.2897 121.2976 55.1689 18.3364 179.7286 131 Q 3.8422 7.9847 116.1328 58.9571 28.7834 178.5316 132 A 3.9767 8.0014 121.8393 55.0554 18.2926 179.6950 133 K 3.3808 7.9478 118.2594 59.2297 31.9816 178.6154 134 K 3.7298 7.9145 118.9994 59.8061 32.1322 177.6589 135 E 4.2199 8.1035 114.6454 55.4680 29.9843 176.4765 136 K 4.1480 7.9464 117.3786 56.0343 30.5448 175.3894 137 L 4.2995 8.2310 118.2395 55.2845 44.3412 178.1199 138 N 3.7056 9.4912 120.3629 54.1591 37.7546 176.3385 139 I 2.9260 5.4200 125.0448 64.3612 37.5572 176.9516 140 W 4.7741 8.0320 118.9416 56.5680 29.1108 176.6486 141 S 4.4627 7.8011 119.6089 58.5069 62.6845 173.9395 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 7 L 8.17 4.48 0.00 1.83 1.78 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.24 4.92 0.00 3.25 3.37 0.00 5.45 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 9 K 9.45 4.62 0.00 1.55 1.79 0.00 1.38 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.92 1.16 7.81 10 E 9.32 5.03 0.00 2.10 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 0.00 2.40 2.28 0.00 11 P 0.00 4.87 0.00 2.11 2.08 0.00 3.92 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 2.03 2.01 0.00 12 A 8.05 4.81 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 13 T 8.38 4.71 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 1.23 0.00 0.00 14 L 8.61 4.24 0.00 1.64 1.59 0.92 1.08 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 15 I 8.75 4.31 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.83 0.94 0.00 0.00 16 K 7.63 4.62 0.00 1.85 1.60 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.51 7.81 17 A 8.80 4.35 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 18 I 7.74 4.40 1.99 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 1.47 0.88 0.90 0.00 0.00 19 D 7.90 4.74 0.00 2.87 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 20 G 9.08 3.70 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 0.00 0.00 0.00 21 D 8.48 5.14 0.00 2.74 2.85 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 0.00 0.00 0.00 22 T 8.26 5.81 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 1.21 0.00 0.00 23 V 8.33 4.77 2.12 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 0.80 0.00 0.00 1.03 0.00 0.00 24 K 9.21 5.02 0.00 1.90 1.97 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.50 7.81 25 L 9.08 5.32 0.00 1.87 1.67 0.46 0.50 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 26 M 9.19 4.90 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 27 Y 9.19 5.10 0.00 3.25 3.07 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 28 K 9.49 3.65 0.00 1.44 1.58 0.00 1.44 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.01 0.21 7.81 29 G 8.48 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 30 Q 7.91 4.70 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 31 P 0.00 4.94 0.00 2.10 2.09 0.00 3.82 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 2.01 1.99 0.00 32 M 8.82 4.71 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.85 0.00 33 T 8.47 4.68 4.18 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 1.20 0.00 0.00 34 F 9.51 5.00 0.00 3.12 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 35 R 9.20 5.05 0.00 1.88 1.77 0.00 3.32 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 36 L 8.71 4.43 0.00 1.68 1.61 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.53 3.94 0.00 0.90 1.27 0.22 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.90 4.40 0.00 2.05 1.92 1.17 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.32 5.12 2.13 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 0.74 0.00 0.00 1.03 0.00 0.00 40 D 9.05 4.95 0.00 2.96 2.53 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 0.00 41 T 8.74 4.90 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 1.30 0.00 0.00 42 P 0.00 4.55 0.00 2.04 2.08 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 43 E 9.66 4.00 0.00 2.01 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 2.48 2.42 0.00 *50 F 8.60 4.52 0.00 3.00 3.07 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 51 N 8.29 4.53 0.00 2.91 3.02 0.00 0.00 5.96 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 52 E 7.86 4.45 0.00 2.11 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 0.00 2.24 2.22 0.00 53 K 8.13 3.95 0.00 1.58 1.63 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.59 1.03 7.81 54 Y 7.57 3.97 0.00 3.17 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 55 G 7.86 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 56 P 0.00 4.04 0.00 1.95 1.81 0.00 3.33 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 1.70 1.17 0.00 57 E 7.99 4.04 0.00 2.33 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 0.00 2.51 2.48 0.00 58 A 8.38 4.04 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 59 S 8.35 4.23 0.00 4.09 4.08 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 60 A 8.20 4.13 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.53 3.99 0.00 3.30 3.20 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 62 T 8.32 3.97 4.34 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 1.27 0.00 0.00 63 K 8.41 3.83 0.00 1.92 2.05 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.56 7.81 64 K 8.13 3.84 0.00 1.80 1.87 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.37 7.81 65 M 7.53 3.83 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 66 V 8.00 3.80 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 0.86 0.00 0.00 1.02 0.00 0.00 67 E 8.18 4.02 0.00 2.15 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 2.34 2.28 0.00 68 N 8.46 4.44 0.00 2.70 2.84 0.00 0.00 7.04 7.24 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 69 A 7.25 4.40 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 70 K 8.91 4.14 0.00 1.90 1.95 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.37 7.81 71 K 8.71 4.57 0.00 1.80 1.81 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.39 7.81 72 I 8.42 5.05 2.05 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 1.31 0.85 0.00 0.00 73 E 9.17 4.97 0.00 1.89 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 0.00 2.20 2.22 0.00 74 V 8.76 4.42 1.71 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 -0.37 0.00 0.00 0.11 0.00 0.00 75 E 8.82 5.11 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 76 F 8.73 4.64 0.00 3.01 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 77 D 8.44 5.08 0.00 2.73 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 78 K 8.67 4.35 0.00 1.84 1.89 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.45 7.81 79 G 8.38 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 0.00 0.00 0.00 0.00 80 Q 8.60 4.07 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 81 R 8.47 4.50 0.00 1.64 1.46 0.00 2.54 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 82 T 7.43 5.01 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 1.17 0.00 0.00 83 D 8.61 4.84 0.00 2.83 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 84 K 8.18 3.86 0.00 1.55 1.73 0.00 1.23 0.00 0.00 1.45 0.00 0.00 2.84 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.81 0.21 7.81 85 Y 7.81 4.38 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 86 G 8.19 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 0.00 0.00 0.00 87 R 8.35 4.23 0.00 2.02 1.79 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 88 G 8.60 3.63 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 0.00 0.00 0.00 89 L 9.56 5.30 0.00 1.54 1.61 0.91 -0.15 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 90 A 8.20 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.65 4.74 0.00 3.04 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 92 I 8.58 4.80 1.77 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.74 0.81 0.00 0.00 93 Y 9.27 5.07 0.00 2.77 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 94 A 8.98 4.82 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 95 D 10.11 4.10 0.00 2.78 2.73 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 0.00 0.00 0.00 0.00 96 G 8.56 4.03 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 0.00 0.00 0.00 97 K 7.81 4.46 0.00 1.99 1.76 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.38 7.81 98 M 8.43 3.92 0.00 1.85 1.57 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 2.21 0.00 99 V 8.63 3.63 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 1.05 0.00 0.00 0.95 0.00 0.00 100 N 7.96 4.32 0.00 2.91 2.93 0.00 0.00 6.76 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 0.00 101 E 8.08 3.91 0.00 1.96 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 0.00 2.37 2.36 0.00 102 A 8.18 4.07 1.65 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 0.00 103 L 8.08 3.37 0.00 1.81 1.61 1.01 0.65 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 0.00 104 V 7.41 3.85 2.22 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 1.30 0.00 0.00 1.02 0.00 0.00 105 R 8.01 4.13 0.00 1.90 2.11 0.00 3.35 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.79 4.27 0.00 1.63 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.45 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 107 G 8.54 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 0.00 108 L 7.85 4.46 0.00 1.26 1.52 0.51 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.58 4.88 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 0.00 110 K 8.55 4.75 0.00 1.74 1.80 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.24 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.47 1.15 7.81 111 V 9.06 4.26 2.12 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 0.74 0.00 0.00 0.97 0.00 0.00 112 A 9.11 4.27 1.14 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 0.00 0.00 113 Y 7.74 3.20 0.00 3.15 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 0.00 114 V 7.47 3.83 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 0.92 0.00 0.00 0.97 0.00 0.00 115 Y 8.13 4.83 0.00 3.08 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 0.00 116 K 8.78 4.22 0.00 1.92 2.02 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.55 7.81 117 G 8.08 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 0.00 118 N 8.07 5.18 0.00 2.81 2.79 0.00 0.00 6.72 7.93 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 0.00 119 N 7.86 5.21 0.00 2.95 3.20 0.00 0.00 6.09 7.22 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 0.00 120 T 9.00 3.82 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 1.04 0.00 0.00 121 H 8.03 4.79 0.00 2.92 3.08 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.36 3.98 0.00 2.18 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 2.33 2.41 0.00 123 Q 8.05 3.99 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.91 3.93 0.00 1.75 1.84 0.90 0.55 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 0.00 125 L 8.06 4.04 0.00 1.78 1.73 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.30 4.00 0.00 1.83 1.95 0.00 3.12 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 127 K 8.15 3.86 0.00 1.98 1.96 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 128 A 7.82 3.96 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 0.00 129 E 8.57 3.85 0.00 2.11 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 1.97 2.51 0.00 130 A 8.29 3.77 1.28 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 0.00 0.00 0.00 131 Q 7.98 3.84 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 132 A 8.00 3.98 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 0.00 133 K 7.95 3.38 0.00 0.79 1.50 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.07 1.05 7.81 134 K 7.91 3.73 0.00 1.86 1.96 0.00 1.94 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 135 E 8.10 4.22 0.00 2.03 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 2.33 2.40 0.00 136 K 7.95 4.15 0.00 1.88 1.91 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 137 L 8.23 4.30 0.00 1.79 1.73 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.49 3.71 0.00 2.79 1.93 0.00 0.00 7.15 7.48 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 0.00 139 I 5.42 2.93 0.91 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.07 -0.13 0.00 0.00 140 W 8.03 4.77 0.00 3.40 3.09 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 0.00 141 S 7.80 4.46 0.00 4.03 4.03 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 * Residues marked with a * may have inaccurate shift predictions.