NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Q 4.1962 8.3401 121.7116 54.6547 31.4542 174.2656 8 A 4.4421 7.4704 123.0449 49.2715 20.9004 174.7557 9 P 4.4278 0.0000 0.0000 62.2318 32.9945 174.9942 10 I 3.7846 8.1306 113.7473 60.3842 38.1063 175.7425 11 A 3.8745 8.6724 124.9647 52.8576 18.5342 177.5038 12 A 4.3290 8.3587 124.6175 51.8604 19.4170 176.2418 13 Y 4.5212 8.3714 120.5700 56.7286 39.7528 175.9002 14 K 4.2268 7.2576 126.5857 53.2518 31.9232 173.1882 15 P 4.1680 0.0000 0.0000 63.0107 31.6650 177.0922 16 R 4.4625 8.3009 120.4121 55.5745 30.5976 175.8354 17 S 4.5613 7.3569 110.1737 57.3030 65.1242 174.1007 18 N 5.1700 8.6999 120.3248 52.8963 39.0292 174.2898 19 E 4.7919 9.1402 120.4862 55.4508 33.5928 174.0429 20 I 4.8085 8.3964 121.6813 59.6938 39.7443 175.0975 21 L 4.6890 9.0472 128.3821 52.9867 43.0219 175.5589 22 W 5.1775 9.0092 124.7704 56.0654 30.4295 176.5939 23 D 4.8832 8.9831 124.9165 51.8851 41.2761 177.4157 24 G 3.6574 8.9687 106.7740 48.0577 0.0000 173.7300 25 Y 4.4469 8.4073 115.7205 57.5887 38.3337 176.1803 26 G 4.0330 8.4701 107.5356 45.8535 0.0000 173.7104 27 V 4.2078 8.5211 121.3015 61.0875 32.4384 173.3369 28 P 4.0290 0.0000 0.0000 62.4979 32.4397 175.8568 29 H 4.4764 8.4292 121.3354 54.0160 29.7600 172.5625 30 I 4.2430 7.7300 123.6047 60.7445 38.0143 174.7790 31 Y 4.6507 9.2469 126.1509 56.1036 40.0266 175.3668 32 G 4.6545 8.6038 110.3235 44.4433 0.0000 173.7688 33 V 3.8803 9.4657 115.1651 62.6745 32.1261 176.1563 34 D 4.5922 7.6083 119.2948 51.0336 43.4996 175.9787 35 A 4.1457 8.5825 121.1454 55.2858 18.2778 177.8130 36 P 4.2939 0.0000 0.0000 66.0410 31.3265 178.9552 37 S 4.2060 8.6644 113.4991 61.6631 62.7271 176.6683 38 A 4.0706 8.1995 123.3967 55.2912 18.0395 179.7374 39 F 4.2250 8.8811 116.4403 60.7218 38.9563 177.3104 40 Y 4.4349 8.7129 119.5370 60.7947 38.6198 178.3080 41 G 3.7313 8.7157 106.9246 48.0382 0.0000 174.9698 42 Y 4.4957 8.6272 122.5432 60.5942 38.9531 178.4547 43 G 2.6635 8.4945 107.0161 46.8654 0.0000 175.6306 44 W 3.9746 8.1120 130.4380 60.1849 30.7108 177.8466 45 A 4.4219 8.3785 120.8743 55.6669 17.8663 179.6476 46 Q 3.8725 8.0657 116.1525 59.0238 28.8005 179.0190 47 A 3.8124 7.5135 121.5781 54.6743 18.0526 179.6990 48 R 2.7509 6.7583 117.8356 58.6266 30.2398 178.3826 49 S 4.4549 7.9761 113.0038 60.0580 63.4645 175.1729 50 H 4.8273 8.5846 117.6736 54.7237 31.0384 175.3596 51 G 3.7722 8.0561 108.9869 48.2795 0.0000 175.7137 52 D 4.3140 7.9770 120.8482 57.3039 40.8645 178.7695 53 N 4.3257 7.9939 116.1726 55.9885 38.5725 177.5861 54 I 3.4444 7.5958 121.4058 64.2885 37.1127 178.3443 55 L 3.9413 7.7418 119.7476 57.7089 41.4435 179.6476 56 R 3.8297 7.8922 118.5313 59.3807 29.9242 178.5530 57 L 4.1362 8.1364 118.9683 58.2016 41.4354 179.0520 58 Y 4.5009 8.5198 115.9369 61.1997 38.0332 178.7185 59 G 4.2524 8.8152 106.8687 48.1242 0.0000 175.5941 60 E 4.1982 8.7610 120.9258 59.1959 29.3360 179.3095 61 A 4.3676 8.3372 119.8149 54.8775 18.4863 179.1550 62 R 4.1371 7.6719 114.5722 56.5686 30.2990 177.4281 63 G 3.8028 8.2405 107.1189 46.6680 0.0000 174.7771 64 K 4.0831 7.6122 116.5924 55.3688 32.1590 177.8959 65 G 3.8940 7.9173 107.8460 48.2567 0.0000 175.7773 66 A 4.2890 8.0778 123.7104 54.4484 18.0963 179.4535 67 E 3.7019 7.6420 116.5586 59.7465 29.9716 178.2262 68 Y 4.0572 7.3931 115.6087 59.8103 37.7316 176.8425 69 W 4.8360 7.4096 115.4937 55.5775 31.0018 177.0332 70 G 3.9407 7.6588 109.1369 44.7507 0.0000 172.4396 71 P 4.2244 0.0000 0.0000 65.9280 31.3707 178.1449 72 D 4.5024 8.3428 115.5560 56.3777 40.9887 177.1006 73 Y 4.5940 8.2733 116.0666 57.5840 38.7398 176.9952 74 E 4.0535 8.4074 122.6060 59.2342 29.6935 178.6638 75 Q 4.0309 8.0645 117.6876 59.4180 28.8308 178.7939 76 T 4.0277 7.9431 116.1518 66.8701 68.4596 176.6154 77 T 3.8903 7.8999 117.2041 66.7803 68.4816 176.7573 78 V 3.6042 8.0349 120.0932 65.6681 31.1162 177.8208 79 W 4.3318 8.4223 128.2175 60.6540 30.5146 178.0152 80 L 3.6262 8.3911 119.2862 57.2553 41.0756 179.5139 81 L 3.8148 8.1512 119.4070 58.1736 41.4303 179.6160 82 T 3.9623 7.7468 114.1591 66.2429 68.4825 174.7768 83 N 4.4377 7.3444 115.3906 51.7944 38.6391 174.8587 84 G 3.9187 8.1906 106.8271 46.0405 0.0000 176.6808 85 V 3.2721 7.5757 120.2390 65.0322 31.2503 175.3184 86 P 4.1561 0.0000 0.0000 65.7600 31.0813 177.9821 87 E 3.8739 7.9025 118.6288 58.9600 29.6949 178.5174 88 R 3.7758 7.9770 118.4600 59.0183 29.9125 178.3771 89 A 3.8518 7.7784 120.9280 54.9272 18.3053 179.5738 90 Q 3.9971 7.6511 116.3824 59.1972 28.7502 178.9891 91 Q 4.0803 8.0283 118.8519 59.0142 28.6310 178.8354 92 W 4.5441 8.5005 118.8516 60.1152 29.5042 177.6392 93 Y 4.3107 8.5782 119.2152 60.8780 38.1057 178.1866 94 A 3.9678 8.1710 120.0843 54.7707 18.5401 178.6400 95 Q 4.2559 7.9402 114.1987 55.6248 29.2967 176.4120 96 Q 4.2169 7.0266 119.4732 55.2169 29.6264 176.8103 97 S 4.3147 8.3238 115.2865 57.5773 65.2655 173.2870 98 P 4.1656 0.0000 0.0000 66.1197 30.9024 178.4323 99 D 4.3215 8.0992 116.7530 57.6457 40.8576 178.7284 100 F 3.9713 7.8755 119.5016 61.1617 39.3313 177.0969 101 R 3.7955 8.3547 118.4060 59.2070 29.7247 178.4003 102 A 3.9759 7.7834 120.7287 55.1008 18.3562 179.3842 103 N 3.9842 7.4053 114.9601 56.0689 38.3238 177.7513 104 L 4.0085 7.5596 120.5050 57.8348 41.6972 179.2046 105 D 4.5069 8.4621 118.8325 57.3114 40.6763 178.7238 106 A 4.2134 8.1857 121.4463 55.0306 18.5346 179.4280 107 F 4.4033 8.5847 119.0018 61.6666 39.4876 177.2896 108 A 4.1133 8.4565 120.2037 55.1238 18.1466 179.4514 109 A 4.1745 8.5453 119.6449 55.2624 18.4789 180.1290 110 G 2.8339 8.2930 104.4947 47.5698 0.0000 176.1366 111 I 3.5186 7.3937 121.6875 64.1480 37.0714 178.1354 112 N 4.2998 8.4149 117.3590 56.2857 38.3298 177.1275 113 A 4.1326 8.4883 122.4053 55.5013 18.1646 178.9552 114 Y 2.3900 7.8477 117.5374 60.3876 38.4899 178.2619 115 A 3.8224 7.7308 120.2193 54.9053 18.4566 179.1685 116 Q 3.9751 7.8760 117.6354 59.5058 29.3543 178.0571 117 Q 4.1574 7.9691 118.4154 57.5162 30.5296 175.2651 118 N 4.8704 7.7384 116.9485 50.9753 39.2650 173.5812 119 P 4.2286 0.0000 0.0000 65.7162 31.8818 178.8915 120 D 4.3686 7.8701 117.1981 55.7700 39.5114 176.6689 121 D 4.5189 7.8799 117.9856 54.9125 41.2168 175.9525 122 I 4.4374 7.1175 120.9711 59.1303 38.6233 175.6237 123 S 4.1577 9.2079 121.1150 57.6473 63.1083 172.5350 124 P 4.1864 0.0000 0.0000 66.0302 31.2397 178.1743 125 E 4.0830 8.2919 115.5450 59.1905 29.3666 178.4302 126 V 4.5203 7.8038 110.1571 61.1907 32.2213 178.0108 127 R 3.9442 8.1822 122.4785 59.0773 29.9935 178.9491 128 Q 3.9371 7.8313 114.5100 58.3885 28.7708 177.7864 129 V 3.4670 7.1368 118.4157 65.5244 31.7352 176.6940 130 L 4.1533 7.3694 118.2733 54.1671 41.9951 175.0818 131 P 4.7007 0.0000 0.0000 62.2199 32.5945 176.1200 132 V 4.3759 8.8374 114.0960 60.4792 33.1999 175.3256 133 S 4.8318 9.7669 116.9985 55.5375 66.2149 175.3508 134 G 3.7084 8.5136 106.2425 47.9844 0.0000 175.6201 135 A 3.9449 6.7882 122.6479 54.8251 18.2156 179.4509 136 D 4.0650 7.6990 117.2968 57.4733 40.7739 179.0956 137 V 3.2218 7.4999 118.1574 65.8397 31.4571 178.1410 138 V 3.7207 7.8123 117.7871 65.8770 31.3562 177.5516 139 A 3.9277 8.5796 121.2836 55.5624 18.2092 178.7321 140 H 4.0931 8.2876 115.9837 59.6631 29.7321 177.0326 141 A 4.0883 7.6514 120.5330 55.7332 18.2739 178.8070 142 H 4.5322 8.4332 115.8897 59.3032 30.1451 177.2691 143 R 4.1959 8.2651 121.0410 59.1283 29.9909 177.9538 144 L 3.9804 8.2258 116.5654 56.8442 41.6958 177.7789 *146 N 4.6168 8.0451 116.1477 52.8112 40.3940 175.2687 147 F 5.6202 8.0767 115.5362 55.9993 39.6674 175.9077 148 L 4.7397 7.8860 118.9270 56.7463 47.1356 177.3456 149 Y 4.1903 7.7959 116.3979 61.0830 38.2225 178.0083 150 V 3.6325 7.8049 119.6098 65.2330 32.3069 177.1253 151 A 4.6634 7.9888 128.9574 49.8821 18.8006 175.2437 152 S 4.5526 8.1051 116.1069 57.2493 64.3889 174.7345 153 P 2.9700 0.0000 0.0000 64.7979 30.5709 179.1557 154 G 3.3850 7.5639 105.6441 47.9078 0.0000 175.9153 155 R 3.9729 7.4700 119.1670 58.7516 30.0392 179.1542 156 T 4.1652 7.1989 113.7387 66.5978 68.7903 176.6686 157 L 4.2335 7.6035 119.2638 55.6138 41.8857 177.2828 158 G 3.9966 8.4582 112.2530 45.6225 0.0000 173.1188 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 Q 8.34 4.20 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 8 A 7.47 4.44 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.43 0.00 2.06 2.02 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 10 I 8.13 3.78 1.89 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 1.36 0.55 0.92 0.00 0.00 11 A 8.67 3.87 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 12 A 8.36 4.33 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 13 Y 8.37 4.52 0.00 2.96 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 14 K 7.26 4.23 0.00 1.48 1.57 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.24 7.81 15 P 0.00 4.17 0.00 2.32 2.48 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 16 R 8.30 4.46 0.00 1.78 1.95 0.00 3.21 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 17 S 7.36 4.56 0.00 3.92 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 18 N 8.70 5.17 0.00 2.64 2.84 0.00 0.00 6.77 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 19 E 9.14 4.79 0.00 2.05 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 2.28 2.32 0.00 20 I 8.40 4.81 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 -0.01 0.00 0.00 21 L 9.05 4.69 0.00 1.74 1.70 0.77 0.71 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 22 W 9.01 5.18 0.00 3.16 3.21 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 0.00 23 D 8.98 4.88 0.00 2.89 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 24 G 8.97 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.41 4.45 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 26 G 8.47 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 27 V 8.52 4.21 2.48 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 0.84 0.00 0.00 1.02 0.00 0.00 28 P 0.00 4.03 0.00 1.37 0.49 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 29 H 8.43 4.48 0.00 3.34 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.73 4.24 1.67 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 1.41 0.17 0.95 0.00 0.00 31 Y 9.25 4.65 0.00 3.08 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 32 G 8.60 4.65 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 0.00 33 V 9.47 3.88 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 0.83 0.00 0.00 0.97 0.00 0.00 34 D 7.61 4.59 0.00 3.03 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 35 A 8.58 4.15 1.52 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 0.00 0.00 36 P 0.00 4.29 0.00 2.21 2.16 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 37 S 8.66 4.21 0.00 4.19 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 38 A 8.20 4.07 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 39 F 8.88 4.22 0.00 3.43 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 0.00 40 Y 8.71 4.43 0.00 3.29 3.29 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 41 G 8.72 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 42 Y 8.63 4.50 0.00 3.03 3.34 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 43 G 8.49 2.66 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 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.11 3.97 0.00 3.24 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 45 A 8.38 4.42 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 46 Q 8.07 3.87 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 47 A 7.51 3.81 0.95 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 0.00 0.00 48 R 6.76 2.75 0.00 1.15 2.10 0.00 3.05 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.32 0.00 49 S 7.98 4.45 0.00 3.88 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 50 H 8.58 4.83 0.00 3.01 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.06 3.77 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 0.00 0.00 0.00 52 D 7.98 4.31 0.00 2.63 2.66 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 0.00 0.00 0.00 53 N 7.99 4.33 0.00 2.68 2.81 0.00 0.00 7.04 7.23 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 54 I 7.60 3.44 1.73 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 1.35 0.53 0.11 0.00 0.00 55 L 7.74 3.94 0.00 1.86 1.76 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.89 3.83 0.00 1.61 1.89 0.00 2.75 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.00 57 L 8.14 4.14 0.00 1.90 1.77 0.93 1.27 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 58 Y 8.52 4.50 0.00 3.08 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 59 G 8.82 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 0.00 0.00 0.00 0.00 60 E 8.76 4.20 0.00 2.46 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 0.00 2.82 2.90 0.00 61 A 8.34 4.37 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 62 R 7.67 4.14 0.00 1.94 1.92 0.00 3.37 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 63 G 8.24 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 64 K 7.61 4.08 0.00 0.87 0.74 0.00 1.38 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.08 7.81 65 G 7.92 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 66 A 8.08 4.29 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 67 E 7.64 3.70 0.00 1.73 1.63 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 2.21 2.30 0.00 68 Y 7.39 4.06 0.00 1.43 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 69 W 7.41 4.84 0.00 2.70 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 70 G 7.66 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 71 P 0.00 4.22 0.00 2.26 2.16 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 72 D 8.34 4.50 0.00 2.71 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 73 Y 8.27 4.59 0.00 3.39 3.17 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 74 E 8.41 4.05 0.00 2.11 2.11 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 2.34 2.38 0.00 75 Q 8.06 4.03 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 76 T 7.94 4.03 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 77 T 7.90 3.89 4.46 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 1.24 0.00 0.00 78 V 8.03 3.60 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 1.13 0.00 0.00 1.01 0.00 0.00 79 W 8.42 4.33 0.00 3.47 3.29 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 80 L 8.39 3.63 0.00 1.63 1.50 1.00 0.40 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 81 L 8.15 3.81 0.00 1.59 1.62 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.75 3.96 4.16 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 1.16 0.00 0.00 83 N 7.34 4.44 0.00 1.80 1.95 0.00 0.00 7.11 7.53 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 84 G 8.19 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 85 V 7.58 3.27 1.79 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 0.84 0.00 0.00 -0.11 0.00 0.00 86 P 0.00 4.16 0.00 2.21 2.36 0.00 3.54 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 87 E 7.90 3.87 0.00 1.98 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 2.33 2.32 0.00 88 R 7.98 3.78 0.00 1.79 1.48 0.00 2.62 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.40 0.00 89 A 7.78 3.85 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 90 Q 7.65 4.00 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 91 Q 8.03 4.08 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 92 W 8.50 4.54 0.00 3.39 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 93 Y 8.58 4.31 0.00 3.22 3.27 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 94 A 8.17 3.97 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 95 Q 7.94 4.26 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 96 Q 7.03 4.22 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 97 S 8.32 4.31 0.00 4.04 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 98 P 0.00 4.17 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 99 D 8.10 4.32 0.00 2.72 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 0.00 100 F 7.88 3.97 0.00 3.10 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 0.00 101 R 8.35 3.80 0.00 1.70 1.95 0.00 2.58 0.00 0.00 2.45 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.24 0.00 102 A 7.78 3.98 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 0.00 103 N 7.41 3.98 0.00 1.59 1.42 0.00 0.00 7.01 6.55 0.00 0.00 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 L 7.56 4.01 0.00 1.89 1.82 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.46 4.51 0.00 2.91 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 0.00 106 A 8.19 4.21 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 0.00 107 F 8.58 4.40 0.00 3.55 3.41 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 0.00 108 A 8.46 4.11 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 0.00 109 A 8.55 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.29 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 0.00 0.00 0.00 111 I 7.39 3.52 1.93 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 1.26 0.57 0.79 0.00 0.00 112 N 8.41 4.30 0.00 2.93 2.92 0.00 0.00 6.97 8.03 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 0.00 113 A 8.49 4.13 1.81 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 0.00 0.00 114 Y 7.85 2.39 0.00 1.82 2.62 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 0.00 115 A 7.73 3.82 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 0.00 116 Q 7.88 3.98 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 117 Q 7.97 4.16 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.12 0.00 0.00 0.00 0.00 0.00 2.68 2.47 0.00 118 N 7.74 4.87 0.00 1.71 2.43 0.00 0.00 6.55 7.55 0.00 0.00 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 P 0.00 4.23 0.00 2.15 2.25 0.00 3.67 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 2.00 1.91 0.00 120 D 7.87 4.37 0.00 2.76 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 0.00 121 D 7.88 4.52 0.00 2.79 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 0.00 122 I 7.12 4.44 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.88 0.00 0.00 123 S 9.21 4.16 0.00 4.03 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 0.00 124 P 0.00 4.19 0.00 2.21 2.12 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 125 E 8.29 4.08 0.00 1.98 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 0.00 2.46 2.41 0.00 126 V 7.80 4.52 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 0.78 0.00 0.00 0.97 0.00 0.00 127 R 8.18 3.94 0.00 1.94 1.93 0.00 3.11 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 128 Q 7.83 3.94 0.00 1.80 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.07 0.00 0.00 0.00 0.00 0.00 2.07 1.19 0.00 129 V 7.14 3.47 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 1.00 0.00 0.00 1.13 0.00 0.00 130 L 7.37 4.15 0.00 1.80 1.58 0.89 1.28 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 0.00 131 P 0.00 4.70 0.00 2.20 2.06 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 132 V 8.84 4.38 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.09 0.00 0.00 133 S 9.77 4.83 0.00 3.70 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.51 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 6.79 3.94 0.97 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 0.00 136 D 7.70 4.07 0.00 2.78 2.34 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 0.00 137 V 7.50 3.22 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 1.07 0.00 0.00 1.25 0.00 0.00 138 V 7.81 3.72 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 1.28 0.00 0.00 139 A 8.58 3.93 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 0.00 140 H 8.29 4.09 0.00 3.32 3.38 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.65 4.09 1.53 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 0.00 0.00 142 H 8.43 4.53 0.00 3.03 3.51 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.27 4.20 0.00 1.94 2.14 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 144 L 8.23 3.98 0.00 1.72 1.85 0.98 0.81 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 *146 N 8.05 4.62 0.00 2.91 2.46 0.00 0.00 6.85 8.13 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 0.00 147 F 8.08 5.62 0.00 3.07 3.38 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 0.00 148 L 7.89 4.74 0.00 1.91 1.42 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.80 4.19 0.00 3.14 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 0.00 150 V 7.80 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 0.75 0.00 0.00 0.96 0.00 0.00 151 A 7.99 4.66 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 8.11 4.55 0.00 3.92 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 0.00 153 P 0.00 2.97 0.00 1.38 0.49 0.00 3.48 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 154 G 7.56 3.39 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 0.00 155 R 7.47 3.97 0.00 1.77 2.02 0.00 3.17 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 156 T 7.20 4.17 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 1.47 0.00 0.00 157 L 7.60 4.23 0.00 1.58 1.68 0.82 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.46 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 * Residues marked with a * may have inaccurate shift predictions.