NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 3.7576 8.2431 117.3838 55.4551 31.1983 174.7433 6 G 3.0266 5.3800 105.2116 45.9122 0.0000 170.1123 7 F 5.6517 9.0557 118.3858 55.7985 42.4787 173.5982 8 E 4.9979 9.3147 119.8457 54.3174 34.0358 175.1886 9 L 4.7040 8.6895 122.6659 54.7783 42.5389 177.4050 10 I 4.2058 8.6254 116.8415 60.4618 38.4068 177.2157 11 T 3.9090 8.7150 111.9463 64.8664 68.4837 175.4603 12 D 4.3486 8.0211 120.1651 55.8921 41.0942 175.5990 13 Y 4.7503 7.7804 116.4307 56.3149 41.1722 175.3031 14 T 4.4817 8.4626 110.4134 60.9761 70.3566 173.3947 15 D 4.5350 8.0341 123.1104 53.8153 40.9087 176.3213 16 E 4.1771 8.7165 127.1355 58.2033 29.7972 178.7538 17 N 4.3746 8.4759 117.5366 56.2105 39.0244 175.7459 18 L 4.0893 7.8144 116.7690 56.3076 41.9810 177.1871 19 L 4.0619 7.5556 119.9148 53.8757 41.7403 175.2433 20 P 4.7125 0.0000 0.0000 61.9258 32.1376 175.6705 21 K 5.0460 8.4571 120.7386 55.2212 36.7412 175.0328 22 R 4.5438 8.2916 119.2684 54.6862 30.4535 176.9201 23 E 4.0391 8.8339 123.9781 58.5846 30.3229 176.4484 24 T 4.6933 7.3908 106.5026 59.1871 72.0355 174.3825 25 A 4.0148 8.5629 124.2106 54.6529 18.4478 178.1067 26 H 4.8068 7.8939 110.0282 55.1511 29.8830 173.9749 27 A 4.0950 7.6384 122.4361 52.1497 18.7022 178.2951 28 A 4.1976 8.6362 123.9908 54.0533 19.2830 178.2170 29 G 4.3328 7.8165 102.2502 45.0016 0.0000 172.3862 30 Y 4.7118 9.1082 120.9072 56.3793 40.4356 174.7074 31 D 5.1064 8.8937 124.7632 53.4037 41.9048 176.0046 32 L 4.3331 8.6454 124.5900 54.2698 43.3843 176.5132 33 K 5.0600 8.1941 120.0170 54.1794 36.7047 175.3170 34 V 4.1084 8.6105 122.5763 63.0510 31.7463 176.8449 35 A 4.2474 8.8443 130.9745 54.3269 18.8561 177.0682 36 E 4.7545 7.8690 110.6101 54.6250 32.6708 175.4068 37 R 4.1843 8.7290 121.3630 57.8320 30.8329 175.7749 38 T 4.6771 9.1316 122.2136 62.0606 72.4438 172.6985 39 E 4.9607 8.9351 125.9869 55.1600 31.6267 175.8795 40 I 4.5046 8.7990 124.0297 59.3694 40.3435 175.5365 41 S 4.5940 8.7391 123.1149 57.8051 64.3452 173.9533 42 A 4.0871 8.5936 124.4099 54.2783 18.1704 178.5345 43 G 3.8631 8.7175 110.7485 45.5856 0.0000 173.4995 44 A 4.4343 7.9185 123.0249 51.1712 19.9283 176.3771 45 I 4.7458 8.0521 120.5064 59.5321 39.0157 175.6761 46 V 4.4692 8.0475 124.0578 60.9241 34.5723 174.7339 47 L 4.4574 8.6403 127.6527 54.4516 42.1488 176.2770 48 V 4.3908 8.9501 126.2545 60.7961 33.0062 173.6109 49 P 3.9689 0.0000 0.0000 63.0912 32.0465 176.7158 50 T 4.7519 7.4343 115.4179 61.8910 71.2849 176.3977 51 G 3.3009 8.4699 108.8203 45.0261 0.0000 172.8331 52 V 5.1930 7.1406 112.1597 59.2599 36.0100 174.4836 53 K 5.4727 9.5919 120.4982 54.1693 36.4077 174.7308 54 A 5.1078 8.8008 121.4795 50.3499 21.8450 175.1053 55 Y 4.1251 7.7215 119.9653 55.0252 41.4619 174.8428 *57 Q 4.4066 8.2666 117.7644 55.2746 30.0045 175.3634 58 V 3.7586 8.0187 112.4896 63.1187 32.0708 177.0798 59 G 3.1603 8.9413 110.8746 45.1427 0.0000 172.2191 60 E 5.2416 7.8386 117.6730 54.2567 32.5417 175.8343 61 V 4.4856 8.3073 120.5945 59.8140 35.6637 173.6616 62 L 4.4265 8.1147 123.9947 53.5041 44.1400 174.5158 63 Y 5.0965 8.5284 124.4786 56.4036 40.4867 174.5499 64 L 4.9249 8.5498 123.8228 53.1847 43.8667 175.6536 65 F 5.2682 9.0200 122.7851 55.2062 42.3124 174.8425 66 D 4.7970 8.8259 120.6643 54.5553 42.1464 176.0368 67 R 4.2851 8.4846 122.2794 55.4155 31.2010 177.4883 68 S 4.0905 8.9190 117.1254 61.6094 62.4569 175.6690 69 S 4.3566 7.9677 112.9300 59.8768 63.7954 175.5783 70 N 4.2856 8.2782 119.9092 56.2925 38.7015 175.5123 71 P 4.4053 0.0000 0.0000 65.0957 31.6030 179.0627 72 R 4.0940 7.9018 112.3639 57.9531 30.0907 177.3748 73 K 4.2776 8.2259 117.4257 57.6042 32.8454 177.5442 74 K 4.2794 8.0769 115.5173 55.5617 33.2186 177.3282 75 G 3.9142 8.0020 106.2217 45.8101 0.0000 172.9990 76 L 5.1450 7.6086 118.2790 52.7789 44.9242 175.8878 77 V 4.6822 8.3110 114.0834 59.3742 36.1774 175.4243 78 L 4.2947 9.2452 126.2810 54.7400 41.8742 177.5207 79 I 3.7665 8.7491 128.8331 63.3543 38.1604 176.2003 80 N 4.6409 8.1012 115.3909 52.4588 37.6944 175.1844 81 S 4.5267 8.7086 120.4278 58.7466 61.9982 170.5091 82 V 4.4516 7.2730 117.1284 61.1030 34.3790 174.2639 83 G 3.8039 8.9025 115.9369 45.5702 0.0000 172.5906 84 V 4.6316 8.3527 125.2232 61.3952 33.0738 174.9697 85 I 4.1493 8.4606 131.0616 59.6418 38.5052 175.7226 86 D 4.7498 8.4934 127.4989 53.2831 41.7494 178.2062 87 G 3.7265 8.6995 110.7732 48.3484 0.0000 174.1391 88 D 4.8420 8.0269 116.9578 53.3626 40.2024 176.6528 89 Y 4.3057 8.2668 123.4573 60.7464 39.0361 175.4568 90 Y 4.3100 8.2852 119.7098 59.4826 38.9219 175.2536 91 N 4.0193 8.5426 122.5629 53.8116 36.4901 174.1253 92 N 4.4694 7.5298 115.5435 52.3661 37.7317 174.2783 93 P 4.3905 0.0000 0.0000 64.8323 31.9577 177.8591 94 N 4.5564 8.1775 115.7086 55.6885 38.9948 176.0125 95 N 4.8849 7.5196 111.3603 52.3644 38.6324 174.8895 96 E 3.5930 8.7330 117.3589 56.6778 29.2433 174.7010 97 G 2.9675 8.1259 104.9222 46.1159 0.0000 172.8657 98 H 4.2173 7.9125 119.3601 56.4465 29.8725 174.6501 99 I 4.4507 8.8828 128.5313 60.9251 38.1556 174.9818 100 F 5.0144 9.0999 125.0382 55.5763 42.1397 174.6070 101 A 4.6947 8.8365 124.1108 50.4062 20.8026 176.2575 102 Q 4.4815 8.5578 124.0610 55.5472 31.2519 174.4232 *104 K 4.4541 8.3654 124.2638 56.4919 33.9869 174.8932 105 N 4.9575 8.6745 126.1746 52.9542 41.3298 173.0799 *107 T 4.4840 8.0716 110.7991 61.6029 70.0579 173.4201 108 D 4.8446 8.5963 118.2094 53.1352 39.7121 175.7376 109 Q 4.7437 7.5720 117.4571 54.1774 32.2667 175.5370 110 T 4.1036 8.6551 118.7262 64.3597 69.3542 173.4700 111 V 4.3730 8.7345 125.8398 61.1105 34.0458 174.2676 112 V 4.7813 8.3756 127.2127 61.1983 33.4390 174.3906 113 L 4.7728 8.9135 128.7229 53.4941 43.3090 176.0302 114 E 4.6192 8.9417 123.8549 55.1436 31.1862 176.3447 115 A 4.2323 8.5467 125.1974 54.3535 18.7449 178.1062 116 G 4.0069 9.1815 111.7171 45.0325 0.0000 173.9416 117 E 4.1513 7.8830 120.1674 56.2999 30.5243 176.8189 118 R 4.5652 8.5884 123.4906 56.4850 30.3992 176.3972 119 V 4.3408 8.8067 121.7216 62.8244 33.9408 175.8340 120 V 4.8394 7.6173 112.1653 59.3923 36.8883 173.9522 121 Q 5.1794 9.3587 120.1703 54.5110 31.3898 174.6291 122 G 4.4982 9.3842 110.1030 44.5126 0.0000 172.3218 123 V 5.0676 8.8112 124.4768 61.1239 34.4583 174.8290 124 F 5.3961 9.3841 126.0690 55.2922 40.4946 173.2774 *126 P 4.5799 0.0000 0.0000 62.8635 32.2917 175.1928 127 F 5.2261 8.5935 115.4291 55.3111 41.3347 173.5570 128 L 4.8913 8.7907 117.7868 53.0016 44.9130 176.1989 129 L 4.8090 8.3426 120.5985 52.8446 43.8587 176.7607 130 I 4.1022 8.0298 114.7777 60.0209 38.5807 175.4699 131 D 4.2773 8.4507 121.1985 55.7930 41.1262 177.2178 132 G 4.1290 8.7553 111.3276 46.0209 0.0000 173.1930 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 5 R 8.24 3.76 0.00 1.03 1.60 0.00 2.66 0.00 0.00 2.48 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 6 G 5.38 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 0.00 0.00 0.00 7 F 9.06 5.65 0.00 2.93 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 8 E 9.31 5.00 0.00 2.15 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 2.39 2.60 0.00 9 L 8.69 4.70 0.00 1.59 1.82 0.98 0.93 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 10 I 8.63 4.21 1.87 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.82 0.91 0.00 0.00 11 T 8.71 3.91 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 12 D 8.02 4.35 0.00 2.57 2.27 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 13 Y 7.78 4.75 0.00 2.93 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 14 T 8.46 4.48 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 15 D 8.03 4.54 0.00 2.76 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 16 E 8.72 4.18 0.00 2.09 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 2.43 2.32 0.00 17 N 8.48 4.37 0.00 2.78 2.86 0.00 0.00 7.19 8.20 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 18 L 7.81 4.09 0.00 1.72 1.59 0.72 0.75 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 19 L 7.56 4.06 0.00 1.79 1.67 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.71 0.00 1.46 1.71 0.00 3.30 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.35 0.00 21 K 8.46 5.05 0.00 1.84 1.94 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 22 R 8.29 4.54 0.00 1.52 1.77 0.00 3.21 0.00 0.00 3.24 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 23 E 8.83 4.04 0.00 2.06 1.94 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 2.27 2.28 0.00 24 T 7.39 4.69 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 25 A 8.56 4.01 1.18 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 0.00 0.00 0.00 26 H 7.89 4.81 0.00 3.12 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.64 4.09 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 28 A 8.64 4.20 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 29 G 7.82 4.33 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 0.00 30 Y 9.11 4.71 0.00 3.20 2.97 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 31 D 8.89 5.11 0.00 2.59 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 32 L 8.65 4.33 0.00 1.71 1.46 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.19 5.06 0.00 1.58 1.60 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.33 7.81 34 V 8.61 4.11 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 0.76 0.00 0.00 0.97 0.00 0.00 35 A 8.84 4.25 0.44 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 36 E 7.87 4.75 0.00 2.04 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 2.29 2.39 0.00 37 R 8.73 4.18 0.00 1.86 1.93 0.00 3.20 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 38 T 9.13 4.68 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 1.25 0.00 0.00 39 E 8.94 4.96 0.00 1.86 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 2.26 2.34 0.00 40 I 8.80 4.50 1.88 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 1.25 0.73 0.92 0.00 0.00 41 S 8.74 4.59 0.00 3.78 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 42 A 8.59 4.09 1.29 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 0.00 0.00 0.00 0.00 0.00 43 G 8.72 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.92 4.43 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 45 I 8.05 4.75 1.86 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 1.30 0.67 0.90 0.00 0.00 46 V 8.05 4.47 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 0.86 0.00 0.00 1.00 0.00 0.00 47 L 8.64 4.46 0.00 1.44 1.48 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.95 4.39 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 1.06 0.00 0.00 1.04 0.00 0.00 49 P 0.00 3.97 0.00 2.00 2.10 0.00 3.76 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 50 T 7.43 4.75 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 1.18 0.00 0.00 51 G 8.47 3.30 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 0.00 52 V 7.14 5.19 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 0.75 0.00 0.00 0.89 0.00 0.00 53 K 9.59 5.47 0.00 2.03 2.06 0.00 1.46 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.64 1.58 7.81 54 A 8.80 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 7.72 4.13 0.00 2.48 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 *57 Q 8.27 4.41 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 58 V 8.02 3.76 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 0.69 0.00 0.00 0.90 0.00 0.00 59 G 8.94 3.16 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 0.00 60 E 7.84 5.24 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 61 V 8.31 4.49 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 0.34 0.00 0.00 0.50 0.00 0.00 62 L 8.11 4.43 0.00 1.10 1.36 0.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.53 5.10 0.00 2.59 1.80 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 64 L 8.55 4.92 0.00 1.42 1.51 0.90 0.91 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 65 F 9.02 5.27 0.00 2.93 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 66 D 8.83 4.80 0.00 2.75 2.61 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 67 R 8.48 4.29 0.00 1.93 1.83 0.00 3.21 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 68 S 8.92 4.09 0.00 3.81 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.97 4.36 0.00 4.04 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 70 N 8.28 4.29 0.00 2.99 3.13 0.00 0.00 6.85 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 71 P 0.00 4.41 0.00 2.17 2.09 0.00 4.10 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 2.11 2.03 0.00 72 R 7.90 4.09 0.00 1.92 2.06 0.00 3.01 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 73 K 8.23 4.28 0.00 1.93 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.53 7.81 74 K 8.08 4.28 0.00 1.91 1.84 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.36 7.81 75 G 8.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 5.14 0.00 1.59 1.55 0.93 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 77 V 8.31 4.68 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 0.65 0.00 0.00 0.93 0.00 0.00 78 L 9.25 4.29 0.00 1.77 1.59 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.75 3.77 1.87 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 1.35 0.80 0.97 0.00 0.00 80 N 8.10 4.64 0.00 2.84 2.87 0.00 0.00 6.13 7.64 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 81 S 8.71 4.53 0.00 4.07 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 82 V 7.27 4.45 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 0.33 0.00 0.00 0.99 0.00 0.00 83 G 8.90 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 0.00 0.00 0.00 84 V 8.35 4.63 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 0.80 0.00 0.00 1.00 0.00 0.00 85 I 8.46 4.15 1.83 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 1.12 0.96 0.96 0.00 0.00 86 D 8.49 4.75 0.00 2.73 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 87 G 8.70 3.73 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 0.00 0.00 0.00 88 D 8.03 4.84 0.00 2.86 2.86 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 0.00 0.00 0.00 89 Y 8.27 4.31 0.00 3.07 3.19 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 90 Y 8.29 4.31 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 91 N 8.54 4.02 0.00 2.43 2.61 0.00 0.00 7.13 8.00 0.00 0.00 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 N 7.53 4.47 0.00 2.87 2.98 0.00 0.00 7.03 7.77 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 93 P 0.00 4.39 0.00 2.05 2.12 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 94 N 8.18 4.56 0.00 2.72 2.88 0.00 0.00 6.69 8.00 0.00 0.00 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 N 7.52 4.88 0.00 3.03 3.02 0.00 0.00 5.89 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 96 E 8.73 3.59 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 2.06 2.13 0.00 97 G 8.13 2.97 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 98 H 7.91 4.22 0.00 3.30 3.42 0.00 5.77 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 99 I 8.88 4.45 1.94 0.00 0.00 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 1.42 1.44 0.95 0.00 0.00 100 F 9.10 5.01 0.00 2.82 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 0.00 101 A 8.84 4.69 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 0.00 102 Q 8.56 4.48 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 *104 K 8.37 4.45 0.00 1.91 1.70 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.62 7.81 105 N 8.67 4.96 0.00 2.83 2.83 0.00 0.00 6.65 6.51 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 *107 T 8.07 4.48 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 1.21 0.00 0.00 108 D 8.60 4.84 0.00 2.77 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 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.57 4.74 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 110 T 8.66 4.10 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 1.27 0.00 0.00 111 V 8.73 4.37 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 0.87 0.00 0.00 1.03 0.00 0.00 112 V 8.38 4.78 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 0.95 0.00 0.00 0.94 0.00 0.00 113 L 8.91 4.77 0.00 1.71 1.57 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.94 4.62 0.00 1.84 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 2.32 2.41 0.00 115 A 8.55 4.23 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 0.00 116 G 9.18 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 0.00 117 E 7.88 4.15 0.00 2.06 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 2.32 2.36 0.00 118 R 8.59 4.57 0.00 1.68 1.85 0.00 3.13 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 119 V 8.81 4.34 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 0.71 0.00 0.00 0.93 0.00 0.00 120 V 7.62 4.84 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 0.86 0.00 0.00 0.91 0.00 0.00 121 Q 9.36 5.18 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 122 G 9.38 4.50 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 0.00 123 V 8.81 5.07 2.47 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 1.33 0.00 0.00 1.29 0.00 0.00 124 F 9.38 5.40 0.00 2.94 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 *126 P 0.00 4.58 0.00 2.09 2.09 0.00 3.80 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 1.94 2.01 0.00 127 F 8.59 5.23 0.00 3.03 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 0.00 128 L 8.79 4.89 0.00 1.58 1.61 0.96 0.91 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 0.00 129 L 8.34 4.81 0.00 1.64 1.62 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.03 4.10 1.90 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 1.45 0.55 0.95 0.00 0.00 131 D 8.45 4.28 0.00 2.70 2.67 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 0.00 132 G 8.76 4.13 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.