NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.4028 8.4293 116.7639 55.1940 32.4245 175.9597 10 N 4.9863 8.0052 113.6577 51.9261 38.7744 171.6608 11 R 5.3566 7.9198 117.4199 54.6970 34.6997 176.2275 12 V 4.6706 8.8849 119.9524 60.1554 35.4223 174.3247 13 I 4.8034 8.5654 123.3159 60.0053 39.5682 174.5531 14 I 4.8274 8.8311 129.5474 59.6315 38.6961 174.7932 15 N 4.7805 9.4166 128.1207 53.2479 39.2191 173.6174 16 V 4.2083 8.8054 127.4581 60.9508 32.7205 175.5936 17 G 4.2510 9.6592 118.4481 46.7230 0.0000 172.8429 18 G 4.1212 8.9133 109.7307 45.1162 0.0000 174.9017 19 I 4.1065 7.6324 120.9998 60.5517 37.3510 175.3938 20 R 4.8791 8.3201 125.8761 55.5303 28.8995 175.7409 21 H 4.5395 9.1431 121.0662 55.5407 30.3636 173.8344 22 E 5.1660 8.5811 121.4938 55.0569 32.7846 174.1157 23 T 4.5087 8.4419 119.3309 61.1630 72.0634 172.0022 24 Y 4.7867 8.3603 121.0980 57.0648 38.9266 177.1071 25 K 3.9108 9.0697 123.2789 59.6960 32.5610 179.4510 26 A 4.0465 8.1510 121.1263 55.3642 19.0191 179.5392 27 T 3.9679 8.0319 112.8212 66.8404 68.8222 176.7361 28 L 3.9297 7.7399 121.0146 57.0925 41.6008 178.8131 29 K 4.3863 7.8165 117.0217 57.3779 32.3581 178.9947 30 K 4.0277 7.8463 118.1399 58.4063 31.9992 176.9816 31 I 4.1759 6.9031 119.1546 57.9084 37.7084 173.4044 32 P 4.2981 0.0000 0.0000 63.2555 31.8150 175.8909 33 A 3.7168 8.5654 119.1983 53.9514 15.8155 177.7957 34 T 4.7404 7.7728 108.6177 60.7250 73.3400 173.5350 35 R 3.9954 8.3550 120.8862 59.7296 29.4737 178.6994 36 L 3.9805 8.0050 118.5219 57.4432 41.4854 178.9197 37 S 4.4929 7.7379 113.8476 59.4187 63.2697 175.4630 38 R 4.4030 7.2457 120.4135 54.6966 30.7064 176.2179 39 L 3.8364 6.7664 118.5191 55.7429 42.3711 176.6492 40 T 4.7080 8.1716 115.2960 60.6022 70.2974 174.1042 41 E 3.4379 8.6563 126.0187 57.8093 29.5860 178.3012 42 G 3.7673 7.7170 107.4565 47.5568 0.0000 174.5352 43 M 4.2789 8.0053 120.9134 55.3790 32.4799 177.6690 44 L 4.0658 8.5754 123.0215 57.7679 42.2365 177.4660 45 N 4.8127 8.2217 114.7657 53.2215 38.4539 173.5261 46 Y 4.7228 7.6547 121.2249 56.3982 40.4395 174.2753 47 D 4.5427 7.7900 127.1196 51.6332 42.2485 175.2252 48 P 4.0293 0.0000 0.0000 65.4892 31.8346 178.2432 49 V 3.6301 7.7824 118.0637 65.8906 31.5604 177.0073 50 L 3.9945 7.6699 117.1761 55.0586 42.2371 176.1305 51 N 3.9509 7.9943 117.3232 53.0186 36.9552 171.8022 52 E 4.9497 6.6823 117.5746 55.6437 33.9538 174.7546 53 Y 5.0526 8.9625 118.1598 56.3260 40.4090 174.6520 54 F 5.2463 9.0301 127.7851 56.8196 40.9919 174.9144 55 F 4.3013 8.2187 124.2245 54.9008 42.2692 175.3622 56 D 4.3191 7.9013 126.1544 53.3006 39.7153 173.7378 57 R 4.4681 6.9184 118.9350 53.7171 34.6547 175.1416 58 H 4.1996 8.3932 118.4639 55.9504 29.5917 174.2325 59 P 4.5526 0.0000 0.0000 65.4537 32.1302 178.7691 60 G 3.8347 8.5574 106.0788 47.8882 0.0000 175.9001 61 V 3.8479 7.9039 120.2711 65.1200 31.5520 177.5760 62 F 4.0421 8.0808 119.6152 61.1311 39.1066 176.7762 63 A 3.9246 7.7798 119.2435 55.0856 17.8869 179.4059 64 Q 3.9189 7.8160 116.9329 59.1149 29.4866 177.8752 65 I 3.8845 7.5218 120.9346 64.4710 37.1489 178.3392 66 I 3.4367 7.6148 119.4436 63.5229 37.6175 177.2337 67 N 4.4538 8.0174 117.8481 56.1413 38.6948 176.2299 68 Y 4.8574 7.8358 122.4740 60.5384 38.6342 177.3973 69 Y 3.7415 8.0445 116.2530 60.9475 38.1863 177.9531 70 R 4.1295 7.9675 118.0575 59.0161 30.3663 178.5907 71 S 4.6039 8.3116 111.3333 57.8176 63.8477 175.3308 72 G 3.9621 8.2727 109.9770 45.3491 0.0000 173.1491 73 K 4.6316 7.9663 118.3354 54.2075 36.2512 175.1573 74 L 4.1365 8.0570 125.9910 54.1054 42.9210 174.6866 75 H 5.3000 8.6541 123.0679 54.2759 31.7221 173.5359 76 Y 3.9193 8.4825 118.3176 55.4855 39.5006 174.3256 77 P 4.3879 0.0000 0.0000 62.8727 32.2253 176.0193 78 T 4.5434 8.2526 107.2088 61.4851 69.1069 174.1041 79 D 4.7441 8.0202 119.8021 53.7613 40.1979 176.1128 80 V 4.5828 7.1566 112.0196 58.8052 36.0573 175.0409 81 C 4.5946 8.4841 116.6980 57.7834 31.6870 174.8044 82 G 3.9945 8.7613 108.6437 47.8916 0.0000 173.9744 83 P 4.3414 0.0000 0.0000 65.2436 31.2250 178.4212 84 L 3.9850 7.9520 118.4954 58.0673 42.0402 178.5679 85 F 4.2893 8.1489 120.1230 61.5422 39.2859 176.9593 86 E 3.7675 8.7125 118.5311 59.3315 29.1964 179.2243 87 E 3.9735 8.2213 118.8029 59.4728 29.5230 179.2560 88 E 4.1090 7.9282 118.6261 59.2969 29.4543 179.2949 89 L 3.9847 7.8730 119.4491 57.7926 41.4719 179.4882 90 E 3.9649 8.4242 118.7212 59.2662 29.1906 179.1116 91 F 3.9402 7.8818 119.5924 61.0192 39.8850 176.8066 92 W 4.3584 8.3197 117.1723 57.1083 28.6866 177.2695 93 G 3.7841 7.6924 106.8798 46.2842 0.0000 173.4692 94 L 4.6568 8.0645 118.6681 52.7263 43.9202 175.6279 95 D 4.8933 8.3787 120.2947 52.3297 42.4467 177.4899 96 S 4.3769 8.7324 121.7755 61.1832 63.3254 176.0865 97 N 4.2906 8.0727 117.6275 55.9356 38.2579 175.8352 98 Q 4.2216 7.9146 115.6784 56.1123 28.9934 176.6815 99 V 3.7504 7.3813 118.4272 61.9855 31.6914 176.2567 100 E 3.9549 8.6297 122.5256 55.4871 30.0887 176.2421 101 P 2.0000 0.0000 0.0000 65.1062 31.3720 178.6530 102 C 4.0888 7.6188 111.1538 60.2754 29.4519 173.7423 103 C 4.7904 7.7895 118.9069 59.3412 28.5327 176.1333 104 W 4.3898 8.0347 125.4685 60.4370 29.4237 179.6357 105 M 4.1637 8.2889 116.2283 57.5884 30.8909 179.8179 106 T 4.2648 7.8225 110.8772 63.2515 68.1477 175.0346 107 Y 4.1462 7.3095 120.8968 60.4791 39.3646 176.8125 108 T 3.8336 8.3689 110.1446 63.5257 68.9968 176.4023 109 A 4.0281 7.4637 125.1967 56.2199 18.2882 179.0138 *110 H 4.3025 8.1272 115.2268 57.1049 28.6292 179.1962 111 R 4.2566 7.4770 121.8116 56.1914 30.1140 177.5951 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 9 E 8.43 4.40 0.00 2.01 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 2.13 1.88 0.00 10 N 8.01 4.99 0.00 3.02 3.11 0.00 0.00 5.81 6.77 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 11 R 7.92 5.36 0.00 1.66 1.83 0.00 3.22 0.00 0.00 2.89 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.55 0.00 12 V 8.88 4.67 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 0.82 0.00 0.00 1.22 0.00 0.00 13 I 8.57 4.80 1.96 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 1.39 1.00 1.07 0.00 0.00 14 I 8.83 4.83 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.94 0.00 0.00 15 N 9.42 4.78 0.00 2.89 3.09 0.00 0.00 6.49 8.51 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 16 V 8.81 4.21 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 nan 0.00 0.00 -0.23 0.00 0.00 17 G 9.66 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 18 G 8.91 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 19 I 7.63 4.11 1.96 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 1.36 1.11 0.85 0.00 0.00 20 R 8.32 4.88 0.00 1.72 1.94 0.00 3.22 0.00 0.00 3.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 21 H 9.14 4.54 0.00 3.42 3.40 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.58 5.17 0.00 1.92 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 23 T 8.44 4.51 4.20 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 1.17 0.00 0.00 24 Y 8.36 4.79 0.00 3.10 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 25 K 9.07 3.91 0.00 1.87 1.92 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.62 7.81 26 A 8.15 4.05 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 27 T 8.03 3.97 4.40 0.00 0.00 0.00 0.00 0.00 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 28 L 7.74 3.93 0.00 1.74 1.70 0.79 0.41 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 29 K 7.82 4.39 0.00 1.76 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.56 7.81 30 K 7.85 4.03 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.96 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.72 7.81 31 I 6.90 4.18 1.08 0.00 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.20 0.49 0.00 0.00 32 P 0.00 4.30 0.00 2.15 2.03 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 33 A 8.57 3.72 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 34 T 7.77 4.74 4.54 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 1.31 0.00 0.00 35 R 8.35 4.00 0.00 1.76 2.03 0.00 2.31 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 36 L 8.01 3.98 0.00 1.45 1.30 0.14 0.65 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 37 S 7.74 4.49 0.00 4.03 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 0.00 38 R 7.25 4.40 0.00 1.91 2.00 0.00 3.27 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 39 L 6.77 3.84 0.00 1.41 0.90 0.41 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.17 4.71 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 41 E 8.66 3.44 0.00 1.80 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 1.47 1.94 0.00 42 G 7.72 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 43 M 8.01 4.28 0.00 2.51 2.40 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.63 0.00 44 L 8.58 4.07 0.00 1.67 1.75 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.22 4.81 0.00 2.86 3.00 0.00 0.00 5.82 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 46 Y 7.65 4.72 0.00 2.66 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 47 D 7.79 4.54 0.00 2.58 2.19 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 48 P 0.00 4.03 0.00 2.21 2.24 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 49 V 7.78 3.63 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 0.76 0.00 0.00 0.87 0.00 0.00 50 L 7.67 3.99 0.00 1.68 1.63 0.91 0.94 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 51 N 7.99 3.95 0.00 2.80 2.82 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 52 E 6.68 4.95 0.00 2.23 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 2.15 2.28 0.00 53 Y 8.96 5.05 0.00 3.28 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 54 F 9.03 5.25 0.00 2.93 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 55 F 8.22 4.30 0.00 2.94 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 56 D 7.90 4.32 0.00 2.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 6.92 4.47 0.00 1.89 2.02 0.00 2.76 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.70 0.00 58 H 8.39 4.20 0.00 3.17 3.31 0.00 5.58 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.55 0.00 2.32 2.46 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 60 G 8.56 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 61 V 7.90 3.85 2.18 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 1.38 0.00 0.00 0.84 0.00 0.00 62 F 8.08 4.04 0.00 3.41 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 63 A 7.78 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.82 3.92 0.00 1.99 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 1.79 2.49 0.00 65 I 7.52 3.88 1.30 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.32 0.30 0.00 0.00 66 I 7.61 3.44 0.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.86 0.76 0.00 0.00 67 N 8.02 4.45 0.00 3.06 2.83 0.00 0.00 6.69 7.68 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 68 Y 7.84 4.86 0.00 3.01 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 69 Y 8.04 3.74 0.00 2.98 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 70 R 7.97 4.13 0.00 1.84 2.03 0.00 3.14 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 71 S 8.31 4.60 0.00 4.05 4.02 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 72 G 8.27 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 73 K 7.97 4.63 0.00 1.66 1.49 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.36 7.81 74 L 8.06 4.14 0.00 0.27 1.07 0.81 0.92 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 75 H 8.65 5.30 0.00 3.02 3.13 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.48 3.92 0.00 2.81 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 77 P 0.00 4.39 0.00 2.22 1.76 0.00 2.20 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.38 0.00 78 T 8.25 4.54 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 79 D 8.02 4.74 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 80 V 7.16 4.58 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 0.80 0.00 0.00 0.94 0.00 0.00 81 C 8.48 4.59 0.00 3.21 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 82 G 8.76 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 0.00 0.00 0.00 83 P 0.00 4.34 0.00 2.22 2.16 0.00 3.62 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 2.15 2.19 0.00 84 L 7.95 3.99 0.00 1.77 1.89 1.00 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 85 F 8.15 4.29 0.00 3.05 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 86 E 8.71 3.77 0.00 2.15 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 2.51 2.52 0.00 87 E 8.22 3.97 0.00 2.28 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 2.34 2.52 0.00 88 E 7.93 4.11 0.00 2.10 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 0.00 2.62 2.66 0.00 89 L 7.87 3.98 0.00 1.67 1.61 0.53 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.42 3.96 0.00 2.19 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 2.34 2.46 0.00 91 F 7.88 3.94 0.00 2.83 2.89 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 92 W 8.32 4.36 0.00 3.51 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 93 G 7.69 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 0.00 0.00 0.00 94 L 8.06 4.66 0.00 1.70 1.80 1.12 0.79 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 95 D 8.38 4.89 0.00 2.77 2.58 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 96 S 8.73 4.38 0.00 4.46 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 0.00 97 N 8.07 4.29 0.00 2.87 2.94 0.00 0.00 7.03 8.85 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 98 Q 7.91 4.22 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 99 V 7.38 3.75 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 0.27 0.00 0.00 0.85 0.00 0.00 100 E 8.63 3.95 0.00 1.83 1.70 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 2.19 2.10 0.00 101 P 0.00 2.00 0.00 1.68 1.20 0.00 3.28 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.49 0.00 102 C 7.62 4.09 0.00 3.00 2.95 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 0.00 103 C 7.79 4.79 0.00 2.92 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 0.00 104 W 8.03 4.39 0.00 3.46 3.15 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 0.00 0.00 0.00 0.00 105 M 8.29 4.16 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.10 0.00 106 T 7.82 4.26 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 1.24 0.00 0.00 107 Y 7.31 4.15 0.00 2.30 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.37 3.83 4.15 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 0.00 0.00 0.00 1.32 0.00 0.00 109 A 7.46 4.03 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 0.00 0.00 *110 H 8.13 4.30 0.00 2.95 2.99 0.00 7.15 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.48 4.26 0.00 1.72 1.66 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.