NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7442 8.3549 109.7535 45.2714 0.0000 174.8990 *2 F 4.3206 8.4602 122.9686 57.0359 39.8315 173.5936 3 A 4.8571 8.4519 124.8295 50.3460 21.8716 175.4101 4 S 4.7453 8.4794 113.4389 56.2995 64.4641 173.2245 5 L 4.6358 8.3890 127.0844 52.8139 43.4282 175.9310 6 V 3.9921 8.3105 123.7576 61.8658 32.1748 174.9911 7 I 4.5656 8.0277 127.6793 58.3202 40.2488 173.5986 8 P 4.3285 0.0000 0.0000 62.5700 31.9624 177.6536 9 V 3.7644 8.4161 120.9194 65.9690 31.1508 178.2220 10 S 4.1190 8.1872 113.5718 61.4296 62.3608 175.9903 11 A 4.1922 7.8954 122.5821 53.9390 18.6174 178.6042 12 Q 4.2409 8.0856 115.7504 57.0360 29.0177 177.7949 13 A 4.0776 7.5469 121.1306 54.3983 18.6099 177.8147 14 N 5.0116 7.9066 112.7352 53.0510 39.1350 177.0306 15 S 3.9374 7.7575 115.7040 60.0028 63.0508 175.3943 16 G 3.9957 7.8588 108.2633 45.1201 0.0000 173.7936 17 E 4.4405 7.6303 119.5345 53.9493 28.9437 173.9196 *19 P 4.2318 0.0000 0.0000 61.9453 34.5098 176.9314 20 Q 4.0616 8.5483 119.5187 59.2512 28.6396 179.3182 21 E 4.0006 8.1193 119.1265 59.5372 29.6048 179.1856 22 Q 4.0056 8.0307 117.5719 59.0565 28.6877 178.6873 23 Q 4.0262 8.0751 119.1473 58.8730 28.7362 178.6571 24 L 4.0630 8.1667 121.2102 57.9761 41.9148 178.7241 25 A 3.9745 7.7858 119.9976 55.1215 18.3527 179.3605 26 V 3.6962 7.6908 115.6477 66.1094 31.8959 177.9821 27 K 4.1633 7.8314 118.2237 59.6633 31.8376 179.0762 28 Y 3.1242 7.5879 115.3447 58.5902 38.3013 177.1368 *30 D 4.3564 8.0376 119.5424 53.9822 43.1195 177.6198 31 A 3.8057 7.8369 120.6271 54.9363 18.2736 179.3614 32 L 3.6148 7.5989 119.1381 58.5116 42.3003 179.3185 33 T 2.8090 7.3976 108.3775 63.3857 68.6299 175.1816 34 E 4.1820 7.5386 119.4893 55.5885 29.9647 175.5397 35 H 3.3945 7.3242 115.1564 56.7888 27.0874 176.1943 36 D 4.4469 7.5861 119.5137 53.4010 38.3001 174.8556 37 Y 4.2049 7.3491 121.7000 60.0578 38.1416 177.2399 38 K 3.9938 8.0751 119.8194 59.9022 32.7093 178.5172 39 T 4.0863 8.0687 115.4859 66.4814 68.3848 176.5948 40 L 4.0131 8.2184 122.6199 58.3077 42.1100 178.9075 41 I 3.8618 8.1966 118.5141 63.7714 37.6883 177.7438 42 T 3.9435 7.6709 109.4526 64.0960 68.7305 174.7884 43 F 4.6374 8.2521 119.4043 57.7427 39.5155 174.6410 44 Y 5.4307 7.7393 118.5620 56.1487 40.9400 174.5855 45 N 5.2539 8.7599 119.1819 51.0738 40.3791 174.9665 46 R 3.9611 8.5656 112.8621 58.7117 29.5087 177.2722 47 D 4.7529 8.1306 117.0264 54.3450 41.9713 176.9090 48 S 4.6011 7.9858 116.2792 58.7123 64.3482 173.0466 49 I 5.0001 8.6465 123.5719 59.4714 40.4631 174.2526 50 F 5.0599 9.2981 129.2112 56.4945 41.6567 173.9119 51 F 5.5861 9.4135 129.8521 56.6161 41.9288 173.8020 52 D 5.0540 9.3912 128.3937 53.3065 40.6666 177.0114 53 K 3.5113 8.6817 127.5988 58.9920 32.5367 180.1681 54 T 3.8321 8.1759 108.1188 64.6984 68.5607 175.1001 55 A 4.1033 8.8986 122.9690 51.7086 19.3248 176.1965 56 N 4.3087 7.7311 113.6466 54.9812 37.7975 175.4047 57 R 4.4200 8.5818 116.8135 54.5248 33.8907 176.2534 58 K 4.6584 8.3419 126.1418 54.8016 33.7363 174.6135 59 Y 4.5230 9.1941 126.4259 56.7139 40.0887 174.9414 60 T 4.8396 8.7503 120.2418 62.6889 71.4854 174.3085 61 G 3.9185 9.5044 115.5364 45.1225 0.0000 174.5724 62 G 3.7336 8.9668 111.6374 48.2172 0.0000 176.0264 63 R 4.0237 7.8772 119.6904 59.1269 30.1488 179.0428 64 F 4.5698 8.0638 117.2126 60.4752 38.9007 177.7545 65 I 3.6258 8.0658 119.6073 64.4604 36.8450 178.5034 66 I 3.6883 8.0382 120.8082 64.3859 36.9543 177.9983 67 D 4.1764 8.0837 118.8205 57.1944 40.9749 177.9468 68 F 4.0546 8.0469 121.1037 61.2630 39.2969 177.1044 69 L 3.0820 7.5159 118.5422 57.3909 41.1643 179.1265 70 E 3.6647 7.5293 119.4073 58.6428 29.6782 178.7457 71 R 3.9503 7.8296 117.7773 59.2684 29.9328 178.9438 72 A 3.9080 7.7842 119.3997 54.6380 18.4237 178.3815 73 H 4.6919 7.7903 112.6792 54.2847 28.9305 174.2585 74 Q 3.9849 7.1233 122.9307 58.1021 28.8660 177.3931 75 G 3.9555 8.9638 113.4757 45.3169 0.0000 173.0570 76 V 3.9738 7.6453 120.4823 62.0748 32.1294 175.9157 77 L 4.4253 8.4221 126.9299 53.5017 42.5917 176.0364 78 E 4.1608 8.7318 120.5980 57.3760 29.7025 175.3419 79 Y 4.9495 8.0638 122.4641 55.2844 41.2744 174.2254 80 D 4.9359 8.8861 118.9183 52.4237 44.5674 175.4507 81 F 5.1518 8.7249 124.2182 56.9152 40.8081 174.9349 82 N 4.7122 9.1818 126.6865 51.7837 39.2721 174.4362 83 I 4.0153 7.7550 117.9083 60.0847 38.4922 175.7615 84 E 4.2519 8.8742 125.0855 59.0313 30.5290 175.2056 85 H 4.7379 7.6372 116.4620 55.5219 33.3058 171.5885 *87 Y 4.7163 8.2579 117.2040 57.1006 39.5362 173.3680 88 N 5.4060 8.6738 114.8979 51.4552 40.8724 174.3571 89 A 4.5555 9.0116 124.1033 50.8196 20.6830 176.9945 90 G 3.6941 8.2773 114.5070 48.2169 0.0000 173.4112 91 S 4.3294 8.6238 119.9931 58.7208 62.9610 172.4452 92 L 4.9061 7.9964 124.9319 53.6240 43.3407 175.0869 93 V 4.6114 8.7510 127.4785 61.2036 33.7062 174.7926 94 V 4.5037 8.1846 127.1010 60.7761 34.9734 174.3354 *96 I 4.0413 8.0893 121.6448 61.5063 38.5764 175.7152 97 G 3.6198 8.0449 112.3326 46.4571 0.0000 171.0707 98 N 5.7304 8.2043 117.1808 51.7564 42.9077 173.3824 99 Y 5.0802 9.2640 121.6905 57.4042 39.7982 173.8964 100 H 5.5687 9.5083 125.7067 54.7226 31.9278 173.1224 101 F 5.1937 9.3339 125.0019 55.5608 41.7324 174.6293 102 K 4.8423 9.5922 123.8851 53.6762 35.0477 176.5649 103 G 3.8900 8.2863 114.3039 44.5167 0.0000 169.2851 104 P 4.6030 0.0000 0.0000 63.5848 31.7321 176.3497 105 G 4.1182 9.0131 110.5174 45.4203 0.0000 175.1055 106 E 3.9496 8.4612 121.1613 59.6813 29.4196 179.5136 107 Q 3.9348 8.0561 114.5009 57.8412 28.8699 176.8408 108 F 4.4178 8.0594 115.3241 56.8959 39.1167 176.1373 109 G 3.9212 8.0187 107.8057 46.1501 0.0000 175.1196 110 K 4.6921 8.1120 116.7476 53.8947 32.3924 174.5925 111 P 4.4418 0.0000 0.0000 64.0738 32.1970 177.6307 112 G 3.9110 9.2861 108.9415 45.7529 0.0000 173.0023 113 K 4.7416 7.6649 118.4018 54.4317 36.1412 174.8258 114 I 4.8888 8.2512 122.3670 59.8647 38.7680 175.4224 115 I 4.6713 8.7122 120.4834 59.3378 40.9759 174.5223 116 D 5.0495 8.9870 122.9038 53.3894 43.5425 174.7290 117 V 4.8179 9.1016 118.9855 59.4815 36.3885 174.9612 118 A 5.1535 9.4881 124.8372 50.5656 21.3321 175.7363 119 I 4.4761 8.9739 124.4410 59.3652 39.3812 174.1829 120 P 4.9706 0.0000 0.0000 62.6639 32.6275 175.3281 121 A 5.0369 8.8127 122.1687 51.3056 23.4823 175.2364 122 V 4.7806 8.6211 119.5894 61.3819 34.4336 174.5763 123 T 5.2773 8.8030 123.8278 61.7272 71.3937 173.3481 124 S 5.0213 9.0704 120.5695 56.4178 66.6039 172.8736 125 L 5.0111 8.7748 121.5696 52.8672 45.0513 175.1685 126 K 4.8397 9.0906 125.8572 54.9815 33.7207 174.9470 127 L 5.1641 8.6008 127.5723 53.1780 44.2152 175.5287 128 D 4.6838 9.0029 122.1362 52.8837 43.6947 176.7914 *130 L 4.1844 8.4083 122.2327 54.9106 43.4423 177.1251 131 N 4.6155 8.1435 111.5964 52.1790 39.1437 174.6105 132 R 3.7760 7.8588 117.0688 57.7884 28.5391 175.2715 133 R 4.9405 7.9826 116.5531 54.5032 34.0943 174.6646 134 V 4.5653 9.0171 125.9057 62.1340 31.7993 175.7040 135 T 4.3439 9.0592 119.8949 63.9747 70.6138 174.6971 136 E 5.1336 7.9883 122.7888 54.9307 33.5031 173.1479 137 H 5.1918 9.5027 127.8108 54.5008 32.1241 172.8277 138 V 4.8029 8.7025 126.5896 61.2401 33.9224 173.7836 139 D 5.2972 8.9185 127.8295 52.6711 43.7540 175.5159 140 L 4.7586 9.1510 123.2675 53.0745 43.6914 174.7447 141 I 4.5030 8.5336 124.7074 59.3988 38.9030 176.5923 142 D 4.6122 8.6066 127.6003 53.1269 39.5021 175.3574 143 Y 4.3232 7.9277 120.9563 60.3900 38.7973 177.5081 144 Q 4.1937 8.3448 120.7210 59.5131 29.5723 178.8716 145 T 4.2330 8.1109 112.7280 64.0794 67.9774 176.3460 *147 S 4.4733 8.2187 119.7174 58.8497 64.8846 175.9942 148 D 4.4150 8.4475 119.3269 57.6257 40.5577 178.7084 149 Q 4.1603 7.8714 117.2624 58.9789 28.8281 178.5046 150 L 4.1757 7.9200 118.2096 57.0377 41.8973 179.8181 151 A 4.1953 7.7675 122.0836 51.6746 18.3294 177.3327 *153 Q 4.0578 8.1601 125.9179 57.7192 29.2812 175.6404 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 0 G 8.35 3.74 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 0.00 0.00 0.00 *2 F 8.46 4.32 0.00 3.07 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 3 A 8.45 4.86 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 4 S 8.48 4.75 0.00 3.82 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 5 L 8.39 4.64 0.00 1.65 1.55 0.93 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 6 V 8.31 3.99 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 0.79 0.00 0.00 0.92 0.00 0.00 7 I 8.03 4.57 1.85 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 1.64 1.05 0.90 0.00 0.00 8 P 0.00 4.33 0.00 2.19 2.16 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 9 V 8.42 3.76 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 0.86 0.00 0.00 10 S 8.19 4.12 0.00 4.08 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 0.00 11 A 7.90 4.19 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 12 Q 8.09 4.24 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 13 A 7.55 4.08 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 14 N 7.91 5.01 0.00 2.74 2.79 0.00 0.00 6.92 7.57 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 15 S 7.76 3.94 0.00 4.00 4.10 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 16 G 7.86 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 17 E 7.63 4.44 0.00 1.95 1.90 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 2.24 2.24 0.00 *19 P 0.00 4.23 0.00 2.19 2.08 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 20 Q 8.55 4.06 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 21 E 8.12 4.00 0.00 2.05 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 2.52 2.47 0.00 22 Q 8.03 4.01 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 23 Q 8.08 4.03 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 24 L 8.17 4.06 0.00 1.84 1.85 1.12 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.79 3.97 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 26 V 7.69 3.70 2.25 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 0.86 0.00 0.00 0.96 0.00 0.00 27 K 7.83 4.16 0.00 2.17 2.06 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.74 7.81 28 Y 7.59 3.12 0.00 1.88 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 *30 D 8.04 4.36 0.00 2.80 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 31 A 7.84 3.81 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 32 L 7.60 3.61 0.00 1.30 1.36 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.40 2.81 3.51 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 0.82 0.00 0.00 34 E 7.54 4.18 0.00 1.86 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 2.31 2.25 0.00 35 H 7.32 3.39 0.00 3.14 3.06 0.00 5.84 0.00 0.00 0.00 0.00 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.59 4.45 0.00 2.63 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 37 Y 7.35 4.20 0.00 3.09 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 38 K 8.08 3.99 0.00 1.79 1.99 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.57 7.81 39 T 8.07 4.09 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 1.38 0.00 0.00 40 L 8.22 4.01 0.00 1.84 1.76 0.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.20 3.86 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.43 1.05 0.00 0.00 42 T 7.67 3.94 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 1.26 0.00 0.00 43 F 8.25 4.64 0.00 3.11 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 44 Y 7.74 5.43 0.00 3.07 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 45 N 8.76 5.25 0.00 2.85 2.98 0.00 0.00 6.90 7.27 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 46 R 8.57 3.96 0.00 1.93 2.19 0.00 2.90 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 47 D 8.13 4.75 0.00 2.83 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 48 S 7.99 4.60 0.00 3.77 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 49 I 8.65 5.00 1.92 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 1.11 1.00 0.96 0.00 0.00 50 F 9.30 5.06 0.00 3.08 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 51 F 9.41 5.59 0.00 3.00 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 52 D 9.39 5.05 0.00 3.15 2.84 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 0.00 0.00 0.00 53 K 8.68 3.51 0.00 1.57 1.50 0.00 1.31 0.00 0.00 1.39 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.21 7.81 54 T 8.18 3.83 4.47 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 0.00 0.00 0.00 1.28 0.00 0.00 55 A 8.90 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.73 4.31 0.00 2.83 2.89 0.00 0.00 6.92 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 57 R 8.58 4.42 0.00 1.88 1.77 0.00 3.17 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 58 K 8.34 4.66 0.00 0.79 1.16 0.00 0.94 0.00 0.00 1.30 0.00 0.00 2.66 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.03 0.95 7.81 59 Y 9.19 4.52 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 60 T 8.75 4.84 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 1.18 0.00 0.00 61 G 9.50 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 0.00 0.00 0.00 62 G 8.97 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 63 R 7.88 4.02 0.00 1.85 2.08 0.00 3.13 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 64 F 8.06 4.57 0.00 3.22 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 65 I 8.07 3.63 1.71 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 1.57 0.83 0.78 0.00 0.00 66 I 8.04 3.69 1.93 0.00 0.00 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 1.87 1.20 0.80 0.00 0.00 67 D 8.08 4.18 0.00 2.93 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 68 F 8.05 4.05 0.00 2.68 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 69 L 7.52 3.08 0.00 1.62 1.59 1.01 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.53 3.66 0.00 1.26 1.66 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 0.00 2.16 1.93 0.00 71 R 7.83 3.95 0.00 1.81 1.89 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 72 A 7.78 3.91 1.02 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 73 H 7.79 4.69 0.00 3.38 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.12 3.98 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 75 G 8.96 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 76 V 7.65 3.97 2.28 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 1.13 0.00 0.00 0.85 0.00 0.00 77 L 8.42 4.43 0.00 1.79 1.67 1.02 0.96 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 78 E 8.73 4.16 0.00 1.93 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 2.23 2.42 0.00 79 Y 8.06 4.95 0.00 2.51 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 0.00 0.00 0.00 80 D 8.89 4.94 0.00 2.62 2.57 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 0.00 0.00 0.00 0.00 81 F 8.72 5.15 0.00 2.68 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 82 N 9.18 4.71 0.00 2.58 2.68 0.00 0.00 6.40 7.13 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 83 I 7.76 4.02 1.53 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.37 -0.13 0.00 0.00 84 E 8.87 4.25 0.00 1.91 2.01 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 2.23 2.36 0.00 85 H 7.64 4.74 0.00 3.08 3.26 0.00 5.95 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 Y 8.26 4.72 0.00 3.05 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 88 N 8.67 5.41 0.00 2.92 2.75 0.00 0.00 5.73 7.26 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 89 A 9.01 4.56 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 90 G 8.28 3.69 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 0.00 0.00 0.00 91 S 8.62 4.33 0.00 3.90 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 L 8.00 4.91 0.00 1.77 1.69 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.75 4.61 2.01 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 0.89 0.00 0.00 0.93 0.00 0.00 94 V 8.18 4.50 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 0.54 0.00 0.00 0.69 0.00 0.00 *96 I 8.09 4.04 1.92 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.95 0.00 0.00 97 G 8.04 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.20 5.73 0.00 2.62 2.74 0.00 0.00 7.41 7.05 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 99 Y 9.26 5.08 0.00 3.13 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 0.00 100 H 9.51 5.57 0.00 3.20 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.33 5.19 0.00 2.85 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 0.00 102 K 9.59 4.84 0.00 1.65 1.59 0.00 2.01 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.56 7.81 103 G 8.29 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.60 0.00 2.10 2.15 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 105 G 9.01 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 0.00 0.00 0.00 106 E 8.46 3.95 0.00 2.09 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 2.41 2.43 0.00 107 Q 8.06 3.93 0.00 1.59 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.28 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 108 F 8.06 4.42 0.00 3.08 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 0.00 109 G 8.02 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 0.00 0.00 0.00 110 K 8.11 4.69 0.00 1.78 1.73 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.50 7.81 111 P 0.00 4.44 0.00 2.18 2.06 0.00 3.95 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 1.99 1.97 0.00 112 G 9.29 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 0.00 113 K 7.66 4.74 0.00 1.83 1.69 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 114 I 8.25 4.89 1.87 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 1.41 0.83 0.96 0.00 0.00 115 I 8.71 4.67 1.65 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 0.71 0.75 0.86 0.00 0.00 116 D 8.99 5.05 0.00 2.66 2.56 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 0.00 117 V 9.10 4.82 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 0.55 0.00 0.00 0.80 0.00 0.00 118 A 9.49 5.15 1.20 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 0.00 0.00 119 I 8.97 4.48 2.15 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.99 0.00 0.00 120 P 0.00 4.97 0.00 2.11 2.01 0.00 3.96 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 121 A 8.81 5.04 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.62 4.78 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 1.03 0.00 0.00 0.98 0.00 0.00 123 T 8.80 5.28 4.35 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 1.19 0.00 0.00 124 S 9.07 5.02 0.00 3.83 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 0.00 125 L 8.77 5.01 0.00 1.42 1.35 0.73 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.09 4.84 0.00 1.83 1.67 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.45 7.81 127 L 8.60 5.16 0.00 1.55 1.56 0.92 0.77 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 0.00 128 D 9.00 4.68 0.00 2.69 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 *130 L 8.41 4.18 0.00 1.65 1.89 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.14 4.62 0.00 2.90 2.82 0.00 0.00 7.06 8.36 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 0.00 132 R 7.86 3.78 0.00 1.83 1.77 0.00 3.09 0.00 0.00 2.97 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.55 0.00 133 R 7.98 4.94 0.00 1.94 1.75 0.00 3.18 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 134 V 9.02 4.57 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 0.73 0.00 0.00 0.13 0.00 0.00 135 T 9.06 4.34 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 1.25 0.00 0.00 136 E 7.99 5.13 0.00 2.05 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 2.33 2.38 0.00 137 H 9.50 5.19 0.00 3.18 2.91 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.70 4.80 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 0.85 0.00 0.00 0.96 0.00 0.00 139 D 8.92 5.30 0.00 2.67 2.59 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 0.00 140 L 9.15 4.76 0.00 1.63 1.58 0.91 0.56 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 0.00 141 I 8.53 4.50 0.99 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 1.07 0.69 0.24 0.00 0.00 142 D 8.61 4.61 0.00 2.62 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 0.00 143 Y 7.93 4.32 0.00 3.08 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 0.00 144 Q 8.34 4.19 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.20 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 145 T 8.11 4.23 4.47 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 0.00 0.00 0.00 1.25 0.00 0.00 *147 S 8.22 4.47 0.00 4.14 3.99 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 0.00 148 D 8.45 4.41 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.87 4.16 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 150 L 7.92 4.18 0.00 1.79 1.77 1.13 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.77 4.20 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 *153 Q 8.16 4.06 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.