NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2137 8.1133 121.1214 56.4210 31.8682 173.9113 3 T 4.6083 8.2932 122.9053 61.2995 70.3449 172.9486 4 F 4.5079 9.8383 127.8182 56.0369 40.4775 176.6656 5 E 3.9844 8.9014 126.1996 58.8362 29.8638 177.0953 6 S 4.7123 7.4012 112.0630 56.6736 66.5051 176.5338 7 V 3.5666 8.0772 114.7099 64.0259 31.2573 178.6383 8 A 3.9685 7.9569 120.4959 55.2072 17.9965 179.1761 9 D 4.4033 7.6864 116.3772 56.9748 41.2220 178.4261 10 L 3.2971 7.7620 120.5211 57.9225 42.1827 178.6945 11 A 3.9088 8.0392 120.5316 55.3484 18.0636 179.3828 12 A 4.0835 7.9093 117.1485 54.0903 18.7029 178.5307 13 A 4.4633 7.8022 118.1687 50.6891 19.4463 176.6150 14 A 3.9837 7.1013 121.3028 54.2912 18.7875 178.5507 15 G 3.9132 9.1320 110.2371 45.6128 0.0000 173.0710 16 E 4.7197 7.7230 118.6776 53.5213 32.1904 175.5637 17 K 4.3150 8.4556 122.3204 56.8740 32.7239 177.1561 18 V 4.2594 9.8701 117.7552 60.9740 33.2558 176.6780 19 G 3.8252 6.8412 106.7793 44.6492 0.0000 171.1947 20 Q 4.9819 7.9254 121.0353 54.5314 32.1195 176.1784 21 S 4.5258 8.8011 121.8898 57.6289 64.7168 173.1325 22 D 4.6495 9.1010 120.8949 53.4120 41.6166 176.7312 23 W 4.6067 8.5941 120.0407 57.0842 29.8449 176.4809 24 V 4.6198 9.0210 116.8534 59.8972 35.0350 174.6703 25 T 4.7753 8.5697 121.0830 62.6470 69.9265 174.2919 26 I 4.4952 8.6727 128.3836 60.6042 38.4583 175.5079 27 T 4.6436 8.7140 118.0849 60.1910 71.0478 175.9341 28 Q 3.9640 8.6632 122.7634 59.2297 29.0595 177.8237 29 E 3.9644 8.2200 119.9612 59.5098 29.6486 178.6320 30 E 4.0371 8.1346 118.0923 59.2999 29.5157 179.5178 31 V 3.6501 7.7516 118.3665 66.0159 31.5437 177.8334 32 N 4.4206 8.6574 116.7152 56.4227 38.3361 177.4061 33 L 4.0028 8.0732 120.3833 57.6005 41.6761 179.3104 34 F 3.9183 8.4824 120.4687 61.1364 39.3461 176.9007 35 A 4.1468 8.0843 121.6562 54.7379 17.9497 179.3615 36 D 4.3258 8.0733 115.8661 57.4855 40.9819 178.5396 37 A 4.0356 8.0901 120.7664 54.5215 18.4696 178.7866 38 T 4.2004 7.4249 105.1386 60.6162 69.9346 175.6247 39 G 3.7300 7.8409 109.4953 45.8476 0.0000 173.2001 40 D 4.7114 7.4917 119.3077 53.2636 40.3665 176.2455 41 H 4.9617 8.3809 126.2333 54.9992 29.8719 175.1780 42 Q 4.1827 8.2933 120.8078 55.7028 29.7313 176.9552 43 W 4.4338 9.1809 121.7126 59.6376 28.2003 178.2065 44 I 3.1512 6.4089 111.7756 62.9383 36.9049 177.0536 45 H 4.9449 7.6780 116.3737 55.8866 29.4896 175.9632 46 V 4.3878 7.7271 108.0675 60.6121 33.4551 175.2211 47 D 4.8745 8.2115 121.1059 51.2527 40.9360 174.1552 48 P 4.3513 0.0000 0.0000 65.4478 31.2553 177.8923 49 E 3.9770 8.1489 115.5325 59.5792 29.6831 179.1924 50 R 4.0039 8.5127 117.9083 58.9649 30.1141 179.0312 51 A 4.4321 8.9763 120.8202 55.4234 18.5894 179.2706 52 A 4.5816 8.9429 120.8465 54.3186 18.1362 178.7878 53 A 4.6375 7.7129 116.2651 53.1623 20.0620 177.8069 54 G 4.3004 8.5161 105.4865 42.8156 0.0000 172.5139 55 P 4.2198 0.0000 0.0000 64.8678 31.0460 177.5364 56 F 4.5542 8.0718 115.5215 56.9251 39.9015 177.7247 57 G 4.0337 9.1897 108.4999 45.7162 0.0000 172.5404 58 T 4.8845 7.2364 111.7537 61.1079 71.1621 172.8150 59 T 4.4184 8.4318 114.6491 61.6638 70.2857 173.3142 60 I 4.9111 8.3462 116.7302 58.6096 40.8900 174.8521 61 A 4.3067 8.5005 125.7114 51.9872 19.1239 177.3577 62 H 3.8098 8.3725 117.2424 55.2315 29.5814 176.3068 63 G 2.6965 8.2798 112.9925 48.4465 0.0000 175.6989 64 F 4.7719 7.4910 117.8156 57.9623 38.6873 177.4790 *66 T 4.1875 8.1099 118.7462 63.6263 70.5458 176.1882 67 L 3.9827 8.2645 122.7667 58.2160 42.0982 178.5307 68 A 4.3264 7.7746 118.2022 53.7312 18.5896 178.6023 69 L 4.2295 7.8319 115.9943 55.7946 41.5569 178.8603 70 L 3.9971 7.8217 120.2815 57.4130 41.6165 177.3442 71 P 4.2153 0.0000 0.0000 65.6629 30.9542 178.4666 72 R 3.8704 7.9559 116.7132 59.5927 29.8015 178.4048 73 L 4.0144 7.7835 117.3385 57.9249 41.7060 179.2529 74 Q 4.1042 8.2820 117.5153 59.0244 28.6629 177.8901 75 H 4.1358 8.1277 118.7028 58.9071 29.8121 177.1518 76 Q 4.1560 7.3600 117.0007 55.7000 28.6443 175.2106 *78 Y 5.5082 7.4294 117.3844 57.5921 39.4267 173.7971 79 T 4.8256 8.3939 108.6905 60.0234 73.1273 172.5296 80 V 4.8138 8.2853 121.5298 61.1467 33.4924 175.4207 81 K 4.1955 9.0451 128.1078 56.6845 33.1642 177.6004 82 G 3.9373 8.9178 108.5133 45.8393 0.0000 173.7507 83 V 4.5728 7.3566 111.1404 59.1821 34.7821 176.0254 84 K 4.2189 9.0738 123.4237 59.0905 32.4638 177.0590 85 L 4.6166 7.3720 115.8942 54.8502 43.5185 173.6955 86 A 5.0714 8.5818 121.1062 50.1003 21.5567 175.2832 87 I 4.4642 8.6314 122.6706 58.7489 41.5311 174.0419 88 N 4.6664 8.7934 127.6748 54.0495 38.5526 173.6113 89 Y 4.4976 9.3194 128.5500 57.4411 40.1808 175.9267 90 G 3.7453 6.2766 103.6083 45.5626 0.0000 170.7576 91 L 5.1204 7.6434 118.1212 53.3745 45.6564 175.7426 92 N 4.7252 8.8496 119.1703 54.8743 40.0261 175.5182 93 K 4.4259 7.5470 116.3524 55.5559 35.6164 174.3868 94 V 4.7916 8.1479 125.0934 61.5193 34.7095 174.0338 95 R 4.3868 8.6806 125.0823 54.3111 34.6922 174.2087 96 F 5.6540 8.0979 118.4252 53.8502 38.0362 172.9024 97 P 4.3505 0.0000 0.0000 64.6606 32.0213 176.9321 98 A 4.8700 7.9364 118.4115 49.1695 22.1996 174.4275 99 P 4.1766 0.0000 0.0000 62.6268 32.7450 176.5594 100 V 4.1680 7.8951 121.6133 60.4486 32.9771 172.9161 101 P 4.6822 0.0000 0.0000 62.2058 32.3895 176.6051 102 V 3.7013 8.3362 124.1580 64.4738 31.9114 176.4415 103 G 4.0047 9.2641 114.9689 45.4437 0.0000 174.0749 104 S 4.4153 7.7321 115.6109 58.6202 64.4338 173.3046 105 R 5.1852 8.3658 119.9489 54.9905 32.4241 175.9183 106 V 5.3350 8.9884 115.3110 60.0441 36.0734 174.5945 107 R 4.6764 8.7545 121.4342 54.9340 33.7555 173.5264 108 A 5.2724 8.7666 126.2198 50.4062 22.7111 175.1514 109 T 5.0274 8.6653 116.3059 61.8828 71.8918 173.5811 110 S 5.4128 8.8677 120.8920 56.9337 67.3303 173.2361 111 S 4.9976 8.9047 117.2982 56.6246 67.4191 173.0916 112 L 4.4100 8.8358 125.7638 54.5338 42.2211 177.4834 113 V 3.5978 9.0169 128.3566 65.5113 32.0819 176.1407 114 G 4.1057 7.4098 104.2382 45.6948 0.0000 172.3364 115 V 4.9526 8.3707 119.8410 60.8540 34.6506 173.9663 116 E 4.6408 9.2719 129.2408 54.2588 31.9623 174.3209 117 D 4.7842 8.7604 126.9826 54.0024 41.8579 175.6272 118 L 4.3385 8.6228 126.1160 54.2548 42.7586 177.5124 119 G 3.9009 8.4792 106.7380 46.7308 0.0000 174.1854 120 N 4.5118 8.6907 116.7343 53.0052 35.6421 175.7921 121 G 3.9147 8.2652 106.1364 45.3647 0.0000 173.6498 122 T 5.2135 7.4622 117.7625 62.3458 69.6337 174.4321 123 V 4.6681 8.4866 118.9249 59.4214 36.5228 174.2437 124 Q 5.0551 9.2563 123.9346 54.4032 31.5833 173.8406 125 A 5.1793 9.3672 128.9693 50.7044 21.6253 175.2889 126 T 4.9148 8.9347 120.0651 62.1084 70.6458 174.1170 127 V 4.9519 8.9863 126.6753 60.9965 35.0647 174.0470 128 S 5.2576 8.8860 122.2434 57.2355 65.2372 173.1880 129 T 5.1357 9.0296 119.7333 62.0645 72.9439 172.8044 130 T 4.8871 8.7554 121.4936 61.7476 71.9532 173.0561 131 V 4.7163 9.1672 127.3868 61.2383 33.3570 174.6637 132 E 4.9207 9.1919 127.3131 55.3018 32.3243 175.4243 133 V 5.0832 8.1300 119.8847 59.8321 33.7471 176.1059 134 E 3.8588 9.5861 126.7079 58.7567 29.5046 177.6347 135 G 4.0754 8.0017 105.2679 44.8754 0.0000 172.9133 136 S 4.6934 7.8338 112.3126 56.0727 66.1842 174.1621 137 A 4.1583 8.5951 124.4032 54.8843 18.5268 178.7915 138 K 4.3001 7.3397 114.5262 55.1673 33.2080 175.2791 139 P 4.5387 0.0000 0.0000 62.9533 32.3030 176.9410 140 A 4.4289 9.2953 123.1713 54.4235 19.8208 177.2902 141 C 4.9446 7.7380 113.7831 58.4089 35.4216 173.0243 142 V 4.7854 8.6105 125.4596 61.0720 33.9630 174.0203 143 A 5.0376 9.0437 128.9704 50.1169 23.0822 173.9377 144 E 5.0908 9.1939 122.7944 54.4514 31.9805 175.0732 145 S 5.2615 9.2637 121.3228 56.5415 67.3473 172.8645 146 I 5.0753 8.5965 120.4277 59.5685 40.6612 174.7086 147 V 4.6843 8.9313 127.2487 60.9405 34.4132 173.9336 148 R 4.7762 8.7454 128.8213 55.0598 31.9160 174.2326 149 Y 4.9842 9.0539 125.4526 56.7328 39.8339 176.1316 150 V 4.3875 8.7354 124.1454 62.0815 31.9305 175.1887 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 2 R 8.11 4.21 0.00 1.83 1.85 0.00 2.94 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.30 0.00 3 T 8.29 4.61 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 1.27 0.00 0.00 4 F 9.84 4.51 0.00 3.10 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 5 E 8.90 3.98 0.00 2.17 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 0.00 2.30 2.24 0.00 6 S 7.40 4.71 0.00 3.98 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 7 V 8.08 3.57 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 0.71 0.00 0.00 0.91 0.00 0.00 8 A 7.96 3.97 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.69 4.40 0.00 2.94 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 10 L 7.76 3.30 0.00 1.31 1.60 -0.23 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.04 3.91 1.36 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 12 A 7.91 4.08 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 13 A 7.80 4.46 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.10 3.98 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 15 G 9.13 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 16 E 7.72 4.72 0.00 2.17 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 0.00 2.22 2.28 0.00 17 K 8.46 4.31 0.00 1.71 1.70 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.56 7.81 18 V 9.87 4.26 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 0.60 0.00 0.00 0.86 0.00 0.00 19 G 6.84 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 0.00 0.00 0.00 20 Q 7.93 4.98 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.07 2.38 0.00 21 S 8.80 4.53 0.00 4.05 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 22 D 9.10 4.65 0.00 2.61 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 23 W 8.59 4.61 0.00 3.18 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 24 V 9.02 4.62 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 0.78 0.00 0.00 0.98 0.00 0.00 25 T 8.57 4.78 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 1.26 0.00 0.00 26 I 8.67 4.50 1.85 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 1.30 1.02 0.86 0.00 0.00 27 T 8.71 4.64 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 1.22 0.00 0.00 28 Q 8.66 3.96 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 29 E 8.22 3.96 0.00 2.13 1.95 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 2.40 2.49 0.00 30 E 8.13 4.04 0.00 2.25 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 2.35 2.33 0.00 31 V 7.75 3.65 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 1.13 0.00 0.00 0.95 0.00 0.00 32 N 8.66 4.42 0.00 2.93 2.90 0.00 0.00 7.05 6.38 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 33 L 8.07 4.00 0.00 1.92 1.75 0.95 0.93 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 34 F 8.48 3.92 0.00 3.22 3.12 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 35 A 8.08 4.15 1.46 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 36 D 8.07 4.33 0.00 2.80 2.75 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 37 A 8.09 4.04 1.13 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 38 T 7.42 4.20 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 0.34 0.00 0.00 39 G 7.84 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 40 D 7.49 4.71 0.00 2.79 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 41 H 8.38 4.96 0.00 3.19 3.35 0.00 5.96 0.00 0.00 0.00 0.00 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.29 4.18 0.00 2.25 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.73 0.00 0.00 0.00 0.00 0.00 2.03 2.34 0.00 43 W 9.18 4.43 0.00 3.65 3.36 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 44 I 6.41 3.15 1.32 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.07 -0.66 0.00 0.00 45 H 7.68 4.94 0.00 3.05 3.17 0.00 5.56 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.73 4.39 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 0.84 0.00 0.00 1.13 0.00 0.00 47 D 8.21 4.87 0.00 2.82 2.91 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 48 P 0.00 4.35 0.00 2.23 2.14 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 49 E 8.15 3.98 0.00 2.07 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 2.33 2.48 0.00 50 R 8.51 4.00 0.00 2.03 1.72 0.00 3.15 0.00 0.00 2.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 51 A 8.98 4.43 1.51 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 0.00 0.00 52 A 8.94 4.58 1.48 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 0.00 0.00 0.00 53 A 7.71 4.64 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 54 G 8.52 4.30 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 55 P 0.00 4.22 0.00 1.20 1.83 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.07 0.00 56 F 8.07 4.55 0.00 3.20 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 57 G 9.19 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 58 T 7.24 4.88 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 1.29 0.00 0.00 59 T 8.43 4.42 4.38 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 1.27 0.00 0.00 60 I 8.35 4.91 1.54 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 0.74 0.36 0.40 0.00 0.00 61 A 8.50 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.37 3.81 0.00 2.60 3.17 0.00 5.92 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 63 G 8.28 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 0.00 0.00 0.00 64 F 7.49 4.77 0.00 3.31 3.22 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 *66 T 8.11 4.19 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 1.26 0.00 0.00 67 L 8.26 3.98 0.00 2.10 2.13 0.96 1.39 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 68 A 7.77 4.33 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 L 7.83 4.23 0.00 1.85 1.72 0.90 0.56 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 70 L 7.82 4.00 0.00 1.93 1.75 0.99 1.02 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 71 P 0.00 4.22 0.00 2.15 2.10 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 72 R 7.96 3.87 0.00 1.87 2.07 0.00 3.18 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 73 L 7.78 4.01 0.00 1.67 1.69 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.28 4.10 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.99 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 75 H 8.13 4.14 0.00 3.16 3.48 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.36 4.16 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.29 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 *78 Y 7.43 5.51 0.00 3.31 3.12 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 79 T 8.39 4.83 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 1.10 0.00 0.00 80 V 8.29 4.81 1.68 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 0.54 0.00 0.00 0.60 0.00 0.00 81 K 9.05 4.20 0.00 1.85 1.74 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.42 7.81 82 G 8.92 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 83 V 7.36 4.57 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 0.84 0.00 0.00 1.05 0.00 0.00 84 K 9.07 4.22 0.00 1.86 1.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.39 7.81 85 L 7.37 4.62 0.00 1.73 1.73 0.92 0.57 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 86 A 8.58 5.07 1.11 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 0.00 0.00 87 I 8.63 4.46 1.85 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 1.14 1.74 0.95 0.00 0.00 88 N 8.79 4.67 0.00 2.77 2.73 0.00 0.00 6.96 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 89 Y 9.32 4.50 0.00 2.93 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 90 G 6.28 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 0.00 0.00 0.00 91 L 7.64 5.12 0.00 1.56 1.49 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.85 4.73 0.00 2.63 2.84 0.00 0.00 6.72 7.17 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 93 K 7.55 4.43 0.00 1.74 1.53 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.34 7.81 94 V 8.15 4.79 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 0.12 0.00 0.00 0.87 0.00 0.00 95 R 8.68 4.39 0.00 1.55 1.63 0.00 3.22 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.65 0.00 96 F 8.10 5.65 0.00 2.84 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 97 P 0.00 4.35 0.00 2.25 2.13 0.00 3.80 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 2.02 2.07 0.00 98 A 7.94 4.87 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 99 P 0.00 4.18 0.00 1.74 1.47 0.00 3.69 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 2.17 2.04 0.00 100 V 7.90 4.17 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 1.06 0.00 0.00 0.89 0.00 0.00 101 P 0.00 4.68 0.00 2.09 1.95 0.00 3.64 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 2.11 2.08 0.00 102 V 8.34 3.70 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 0.76 0.00 0.00 0.97 0.00 0.00 103 G 9.26 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 0.00 104 S 7.73 4.42 0.00 3.93 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 0.00 105 R 8.37 5.19 0.00 1.60 2.00 0.00 3.09 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 106 V 8.99 5.33 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 0.75 0.00 0.00 1.05 0.00 0.00 107 R 8.75 4.68 0.00 0.67 0.66 0.00 2.57 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.22 0.00 108 A 8.77 5.27 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 0.00 109 T 8.67 5.03 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 0.00 110 S 8.87 5.41 0.00 3.88 3.78 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 0.00 111 S 8.90 5.00 0.00 3.70 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 0.00 112 L 8.84 4.41 0.00 1.58 1.47 0.88 0.72 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 0.00 113 V 9.02 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 0.76 0.00 0.00 0.95 0.00 0.00 114 G 7.41 4.11 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 0.00 0.00 0.00 115 V 8.37 4.95 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 0.78 0.00 0.00 0.84 0.00 0.00 116 E 9.27 4.64 0.00 2.01 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 0.00 2.17 2.20 0.00 117 D 8.76 4.78 0.00 2.65 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 0.00 118 L 8.62 4.34 0.00 1.76 1.63 0.76 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.48 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 0.00 120 N 8.69 4.51 0.00 2.89 3.07 0.00 0.00 7.10 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 0.00 121 G 8.27 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 0.00 122 T 7.46 5.21 4.45 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 1.18 0.00 0.00 123 V 8.49 4.67 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 0.71 0.00 0.00 1.01 0.00 0.00 124 Q 9.26 5.06 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 125 A 9.37 5.18 1.36 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 0.00 126 T 8.93 4.91 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 1.26 0.00 0.00 127 V 8.99 4.95 2.14 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 1.17 0.00 0.00 1.02 0.00 0.00 128 S 8.89 5.26 0.00 3.92 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 0.00 129 T 9.03 5.14 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 1.27 0.00 0.00 130 T 8.76 4.89 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 1.20 0.00 0.00 131 V 9.17 4.72 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 0.88 0.00 0.00 0.94 0.00 0.00 132 E 9.19 4.92 0.00 2.14 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 2.27 2.33 0.00 133 V 8.13 5.08 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 0.77 0.00 0.00 0.97 0.00 0.00 134 E 9.59 3.86 0.00 1.40 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 1.99 1.61 0.00 135 G 8.00 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 0.00 0.00 0.00 136 S 7.83 4.69 0.00 3.98 3.81 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 0.00 137 A 8.60 4.16 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 0.00 138 K 7.34 4.30 0.00 1.62 1.77 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.39 7.81 139 P 0.00 4.54 0.00 2.11 2.18 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 140 A 9.30 4.43 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 0.00 141 C 7.74 4.94 0.00 3.15 2.77 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 0.00 0.00 0.00 142 V 8.61 4.79 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 0.93 0.00 0.00 0.89 0.00 0.00 143 A 9.04 5.04 1.13 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 0.00 144 E 9.19 5.09 0.00 1.99 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 2.19 2.32 0.00 145 S 9.26 5.26 0.00 3.87 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 0.00 146 I 8.60 5.08 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.05 1.14 0.00 0.00 147 V 8.93 4.68 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 0.33 0.00 0.00 0.91 0.00 0.00 148 R 8.75 4.78 0.00 1.94 1.82 0.00 3.04 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 149 Y 9.05 4.98 0.00 2.91 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 0.00 150 V 8.74 4.39 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 1.23 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.