NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7918 8.1976 109.7365 45.6567 0.0000 175.7877 *2 D 4.5526 8.8085 125.0685 52.5878 40.7435 175.4087 3 T 4.4953 7.7689 109.2357 61.3481 69.6569 175.7936 4 R 3.9167 8.0949 124.1978 59.5219 30.1023 178.2963 5 K 4.1618 7.9251 115.3686 58.9908 32.7408 177.7740 6 L 4.1004 7.7732 119.0044 56.0700 41.8658 176.3804 7 L 4.4016 7.6694 121.3004 53.2342 42.8108 175.4181 8 L 4.6942 8.2766 126.5733 52.9519 42.6072 177.0045 9 T 4.1353 8.8323 115.1913 60.9478 70.7468 174.8861 10 A 3.9752 8.5883 123.4863 55.9111 18.3786 180.0111 11 Q 4.0195 8.0104 115.2652 58.4806 28.7750 178.2980 12 E 4.0081 7.9517 119.2908 59.3110 29.5218 179.1307 13 I 3.8603 7.8381 119.2024 64.4281 37.3101 177.7865 14 S 4.4132 7.9863 112.7711 60.9083 63.1081 175.7530 15 R 4.1366 7.4566 121.4886 55.0351 28.3261 175.5234 *17 K 4.1379 8.1297 123.2789 54.3380 34.2283 176.9662 18 G 3.9399 8.0937 105.9276 44.5426 0.0000 171.4715 19 E 4.7628 8.7411 117.1876 54.4406 32.9298 175.5242 20 H 4.8688 8.9516 123.8363 56.1238 30.6539 174.3211 21 K 4.6609 9.1647 126.2613 54.4566 35.2130 175.3682 22 V 4.9047 8.2403 124.3449 60.9268 33.7918 174.6306 23 H 4.5110 9.1275 128.7513 56.1530 30.4106 176.2428 24 F 4.4209 9.1352 119.7209 58.7537 37.9650 175.6214 25 L 4.2296 7.4153 118.7642 54.1870 42.6996 175.9982 26 N 4.6793 8.0775 118.4703 51.4086 39.8536 172.8861 27 P 4.2528 0.0000 0.0000 64.8261 31.8091 178.1053 28 G 3.6698 8.5471 106.2826 46.5550 0.0000 173.0545 29 A 5.4164 8.0014 123.4111 49.8734 18.4416 175.2969 30 V 4.9180 7.9348 119.2103 61.3824 34.5975 174.4315 31 R 4.8150 8.7374 122.4501 55.1554 33.5635 173.7191 32 V 4.5362 8.5205 120.7472 61.8695 33.2646 173.9887 33 N 5.1671 9.3335 127.5367 51.8816 41.2970 173.2918 34 K 4.6982 9.1704 127.3447 54.8030 34.2153 176.2771 35 S 4.6229 8.6087 121.6604 56.9939 61.2187 174.5191 36 L 4.0208 8.4885 128.8718 57.5908 42.1143 180.2198 37 G 3.6321 8.2058 107.7923 48.7401 0.0000 175.5129 38 D 4.3442 8.1197 120.0437 56.7688 40.4657 178.6861 39 A 4.0422 7.8554 120.5660 54.3289 18.4544 178.9942 40 V 4.2394 7.5515 107.5717 60.8934 32.4816 176.8366 41 G 3.9414 7.5228 106.7023 45.2163 0.0000 173.7148 42 L 4.1458 7.7929 119.5912 54.7812 41.8735 177.3650 43 R 4.5693 8.4955 119.4846 56.0051 32.3651 175.5574 44 H 4.8353 7.9943 115.2913 55.4029 30.2965 173.8173 *46 G 4.0153 8.0645 104.8880 46.2540 0.0000 172.7081 47 I 5.1036 8.0508 124.1533 59.9466 41.0683 173.8828 48 H 5.3686 9.6662 124.6251 53.7697 32.7610 172.6686 49 L 5.0970 9.1096 125.8532 53.8402 43.3475 175.0442 50 I 5.1113 8.8642 120.7691 59.2221 40.9530 174.5163 51 Q 5.1498 8.9503 122.8142 54.2986 31.9336 174.3767 52 I 4.8255 8.7732 125.2397 59.5186 40.2020 175.4755 53 E 4.6836 8.7338 126.3129 54.4595 31.5446 174.3113 54 P 4.4729 0.0000 0.0000 64.7037 31.6598 177.3122 55 G 3.9228 9.5274 111.1788 45.2537 0.0000 172.8501 56 K 4.7014 7.8267 118.6687 54.5426 35.2747 174.5397 57 E 5.1947 8.5727 118.9541 54.5168 32.4703 177.6365 58 S 4.2617 8.9010 115.0055 60.7304 63.5083 173.6457 59 T 4.0640 7.1164 113.0592 61.6366 69.7111 170.8337 60 E 4.1838 8.2611 124.2256 54.8035 30.0642 174.4882 61 Y 4.2898 8.4596 126.3460 57.7317 39.0512 174.5542 62 H 4.7461 8.0308 121.6615 54.1762 32.8776 172.1413 63 L 4.7162 8.1642 120.5584 53.6902 45.3024 174.8068 64 H 4.8559 8.6583 123.3966 55.7445 29.7693 175.8910 65 H 3.8162 9.1298 120.0892 57.4999 28.9234 175.9522 66 Y 4.5269 8.7439 113.8849 58.3602 40.8490 176.4512 67 E 4.4940 8.4947 118.6632 55.1090 30.6028 176.0309 68 E 4.5199 9.2598 124.1420 56.7495 31.0928 175.5498 69 E 5.2567 8.7955 121.0310 55.4840 33.8053 173.5256 70 A 4.9989 9.1413 125.0407 51.1010 23.6822 175.2856 71 V 4.8867 8.5305 118.5719 61.5679 35.5785 173.1857 72 Y 5.2286 9.1107 128.6123 55.7567 41.6494 174.3849 73 V 4.0202 8.3251 127.7333 62.9610 32.2651 176.0976 74 L 4.5478 8.8960 128.2675 56.3998 43.2188 176.8196 75 S 4.4622 7.9971 110.7569 58.4055 66.3587 175.4525 76 G 4.0639 8.9699 108.9339 45.6341 0.0000 172.5588 77 K 4.8157 8.1966 116.2581 54.9313 36.1656 176.4414 78 G 4.2378 8.9041 109.3075 45.5221 0.0000 170.6471 79 T 5.0775 8.7983 115.8431 61.6026 71.9549 173.3467 80 L 4.8719 9.3084 129.9202 54.5520 43.5476 176.0367 81 T 5.3969 8.8442 123.2079 60.4487 70.7321 175.7641 *83 E 5.0381 8.3197 120.5550 56.3386 30.4835 178.5522 84 N 4.3942 9.1784 123.1971 57.3356 38.6409 175.1700 85 D 4.5456 7.5093 114.1179 53.7928 41.8414 174.9946 86 Q 5.0308 7.9287 119.7084 54.3990 31.7498 174.7434 87 Y 4.8846 9.1618 120.6658 55.3639 41.9694 173.2545 88 P 5.0033 0.0000 0.0000 62.8252 32.5685 175.5345 89 I 5.0123 8.8149 114.7371 59.5528 41.4144 173.8156 90 A 4.8441 9.1001 124.2322 49.9648 23.3768 173.8488 91 P 4.4203 0.0000 0.0000 64.1982 31.6958 177.6700 92 G 3.7502 8.6244 111.6443 44.9659 0.0000 173.4690 93 D 4.6468 7.6121 120.1796 54.0308 42.1890 175.1826 94 F 5.5089 8.7404 123.5155 56.3780 42.5680 174.3417 95 V 3.9814 7.9883 124.4177 59.5510 34.2521 174.5998 96 G 3.9983 7.8935 110.5099 44.2086 0.0000 172.6601 97 F 4.8471 9.0225 121.6323 54.3297 41.0410 173.1204 98 P 4.4424 0.0000 0.0000 62.0270 32.7421 175.8087 99 C 4.2103 8.6397 119.1432 61.9306 28.4429 173.8100 100 H 3.8848 8.6146 118.4426 56.5565 26.9074 176.0315 101 A 4.1049 8.0239 122.8203 54.4811 18.5167 178.5094 102 A 4.7152 7.4340 112.6134 50.8327 21.9742 176.0656 103 A 4.0840 9.4433 125.8960 52.3070 19.2293 176.3948 104 H 5.7287 8.3068 115.1123 55.4338 32.4952 172.3991 105 S 4.8152 8.6774 112.4190 57.1859 66.9445 172.4762 106 I 5.1877 8.5921 121.2851 59.5673 40.2115 174.9382 107 S 5.1061 9.1806 121.0701 56.6104 66.5172 172.9199 108 N 4.8779 9.1909 121.5273 52.2153 39.4455 174.2199 109 D 5.0301 8.5744 125.8813 53.9643 41.8870 177.5194 110 G 4.2330 8.3964 111.6643 44.8700 0.0000 174.6720 111 T 4.5787 8.4860 110.9116 61.1533 69.7976 173.1326 112 E 4.7975 7.7421 120.0822 54.4307 33.4901 175.2818 113 T 4.0997 8.3240 117.1067 64.1049 69.8595 172.9419 114 L 4.6375 8.9305 128.6759 53.9067 43.7778 175.1134 115 V 4.9223 8.9380 127.1590 61.4488 33.8802 174.1403 116 C 5.3865 8.9953 124.3228 58.0544 33.1317 172.7916 117 L 5.0282 9.0558 121.7088 53.7419 43.2809 175.7411 118 V 4.8374 9.1543 124.3274 61.1949 34.0730 174.2831 119 I 5.1233 8.9967 128.3898 59.6034 40.3026 174.8026 120 G 4.5454 9.1310 113.3645 44.6571 0.0000 172.4244 121 Q 4.4542 8.6057 120.4026 55.6138 29.8946 176.1789 122 R 4.7619 8.6757 120.7948 54.7165 32.0661 175.2899 123 L 4.8774 9.0564 124.2169 52.6756 44.5657 177.0992 124 D 4.5556 8.8561 121.0817 56.7196 42.0342 176.2309 125 Q 5.1114 7.8112 116.0093 54.1255 31.9905 174.3980 126 D 4.8197 8.9515 121.7842 53.2905 45.8453 173.7024 127 V 4.7540 8.4003 120.2343 60.9689 35.1080 174.0414 128 V 4.5414 8.4149 126.8822 61.1393 34.7028 173.7383 129 D 4.9455 8.5420 127.4759 53.0953 43.4676 175.1873 130 Y 5.3418 8.4942 119.7327 54.1748 38.1542 174.4308 131 P 4.3582 0.0000 0.0000 65.4119 32.0559 178.6846 132 N 4.4940 8.4339 114.0915 55.4379 38.6376 175.5872 133 Q 4.3144 8.0686 115.3161 55.1387 29.6458 174.6662 134 H 4.1253 7.8366 116.7895 57.2892 28.8557 174.1663 135 K 4.9646 7.8232 115.3951 54.4506 36.7804 175.9722 136 R 4.8429 9.0142 123.7034 54.3869 33.0929 173.8767 137 L 5.0444 8.9496 128.4315 53.6720 44.4100 174.2975 138 Y 4.7830 9.1771 124.8003 56.4215 40.0249 174.5159 139 R 4.7172 8.9847 125.8501 54.5627 32.7054 174.3646 140 N 4.8759 9.2082 124.0147 51.0421 41.5541 174.4160 141 N 4.1397 10.0142 126.0010 54.1484 36.6778 175.7992 142 G 4.0819 8.2444 104.6231 45.3034 0.0000 172.3008 143 E 4.4332 8.2661 121.8950 54.9636 30.2521 174.4261 144 W 5.2457 8.9131 126.2666 55.2155 31.2936 175.2928 145 N 5.0183 9.4511 122.2263 51.5746 41.1373 172.9317 146 L 5.2169 8.7387 126.4263 53.4257 43.8115 175.6803 147 V 4.5126 8.8876 125.9705 60.9022 34.9054 175.8383 148 D 4.8135 8.6164 128.0167 53.9496 41.1422 176.8538 *150 A 4.5269 8.4682 117.4576 52.0343 20.4051 176.9591 151 D 4.7348 8.4383 114.2687 54.2052 41.0987 176.0404 152 I 4.2815 7.5327 121.0282 59.6743 38.2823 175.3694 153 R 4.1938 8.4841 125.3705 54.8777 29.8705 176.6589 154 V 4.0022 8.2001 124.4152 61.8117 31.1366 175.4420 155 L 4.3230 8.4637 128.3882 56.7572 42.1784 177.8960 156 R 4.6668 7.5005 114.7044 54.4463 34.1831 174.4555 157 E 4.1892 8.7396 120.5741 56.4456 29.6615 175.8802 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 8.20 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 0.00 0.00 0.00 *2 D 8.81 4.55 0.00 2.82 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 3 T 7.77 4.50 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 4 R 8.09 3.92 0.00 1.91 1.98 0.00 3.23 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 5 K 7.93 4.16 0.00 1.90 1.93 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.46 7.81 6 L 7.77 4.10 0.00 1.77 1.77 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.67 4.40 0.00 1.60 1.74 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.28 4.69 0.00 1.65 1.60 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.83 4.14 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 10 A 8.59 3.98 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 11 Q 8.01 4.02 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 12 E 7.95 4.01 0.00 2.23 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 2.35 2.36 0.00 13 I 7.84 3.86 2.05 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 1.42 0.61 0.93 0.00 0.00 14 S 7.99 4.41 0.00 3.93 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 15 R 7.46 4.14 0.00 1.97 1.89 0.00 3.42 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 *17 K 8.13 4.14 0.00 1.75 1.89 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 18 G 8.09 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 19 E 8.74 4.76 0.00 1.87 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 2.23 0.00 20 H 8.95 4.87 0.00 3.18 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 9.16 4.66 0.00 1.67 1.67 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.53 7.81 22 V 8.24 4.90 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 0.80 0.00 0.00 0.94 0.00 0.00 23 H 9.13 4.51 0.00 3.29 3.14 0.00 5.64 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 24 F 9.14 4.42 0.00 3.14 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 25 L 7.42 4.23 0.00 0.95 1.21 -0.36 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.08 4.68 0.00 2.77 2.58 0.00 0.00 7.15 7.85 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 27 P 0.00 4.25 0.00 2.07 2.10 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 28 G 8.55 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.00 5.42 1.37 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 0.00 0.00 0.00 30 V 7.93 4.92 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 0.84 0.00 0.00 0.96 0.00 0.00 31 R 8.74 4.81 0.00 2.09 1.97 0.00 2.84 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 32 V 8.52 4.54 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 0.97 0.00 0.00 0.97 0.00 0.00 33 N 9.33 5.17 0.00 2.84 2.67 0.00 0.00 6.64 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 34 K 9.17 4.70 0.00 1.84 1.76 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.39 7.81 35 S 8.61 4.62 0.00 3.95 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 36 L 8.49 4.02 0.00 1.85 1.70 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.21 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.12 4.34 0.00 2.75 2.74 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 39 A 7.86 4.04 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 40 V 7.55 4.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.00 0.00 0.00 41 G 7.52 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 42 L 7.79 4.15 0.00 1.65 1.63 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.50 4.57 0.00 1.56 1.76 0.00 3.15 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 44 H 7.99 4.84 0.00 3.08 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 G 8.06 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 0.00 0.00 0.00 47 I 8.05 5.10 1.86 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 1.37 0.66 0.93 0.00 0.00 48 H 9.67 5.37 0.00 3.02 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.11 5.10 0.00 1.78 1.59 1.04 0.74 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 50 I 8.86 5.11 1.91 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 1.44 0.77 1.00 0.00 0.00 51 Q 8.95 5.15 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 52 I 8.77 4.83 1.89 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 1.25 0.88 0.93 0.00 0.00 53 E 8.73 4.68 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 54 P 0.00 4.47 0.00 2.04 2.26 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 55 G 9.53 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 56 K 7.83 4.70 0.00 1.91 1.81 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 57 E 8.57 5.19 0.00 1.99 1.82 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 2.21 2.20 0.00 58 S 8.90 4.26 0.00 3.99 4.04 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 0.00 0.00 0.00 0.00 59 T 7.12 4.06 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 1.15 0.00 0.00 60 E 8.26 4.18 0.00 1.61 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 2.02 2.50 0.00 61 Y 8.46 4.29 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.03 4.75 0.00 2.72 3.38 0.00 5.26 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.16 4.72 0.00 1.46 1.26 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.66 4.86 0.00 3.10 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 9.13 3.82 0.00 3.00 2.94 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.74 4.53 0.00 2.98 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.49 0.00 1.88 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 0.00 2.28 2.41 0.00 68 E 9.26 4.52 0.00 2.02 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 2.36 2.38 0.00 69 E 8.80 5.26 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 70 A 9.14 5.00 1.21 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 0.00 0.00 71 V 8.53 4.89 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 1.00 0.00 0.00 1.03 0.00 0.00 72 Y 9.11 5.23 0.00 3.26 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.33 4.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.88 0.00 0.00 74 L 8.90 4.55 0.00 1.70 1.74 1.01 0.94 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 75 S 8.00 4.46 0.00 3.86 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 76 G 8.97 4.06 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 0.00 77 K 8.20 4.82 0.00 1.59 1.66 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.42 7.81 78 G 8.90 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 0.00 0.00 0.00 0.00 79 T 8.80 5.08 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 1.23 0.00 0.00 80 L 9.31 4.87 0.00 1.81 1.86 1.13 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.84 5.40 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 1.19 0.00 0.00 *83 E 8.32 5.04 0.00 2.14 1.44 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 2.39 2.31 0.00 84 N 9.18 4.39 0.00 2.72 2.87 0.00 0.00 6.79 8.06 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 85 D 7.51 4.55 0.00 2.59 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 0.00 0.00 0.00 0.00 86 Q 7.93 5.03 0.00 1.74 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 87 Y 9.16 4.88 0.00 2.86 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 88 P 0.00 5.00 0.00 2.10 2.07 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 89 I 8.81 5.01 1.86 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 1.25 0.91 0.94 0.00 0.00 90 A 9.10 4.84 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 91 P 0.00 4.42 0.00 2.02 2.15 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 92 G 8.62 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 93 D 7.61 4.65 0.00 2.64 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 94 F 8.74 5.51 0.00 3.16 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 95 V 7.99 3.98 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 0.63 0.00 0.00 0.30 0.00 0.00 96 G 7.89 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 97 F 9.02 4.85 0.00 2.99 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 98 P 0.00 4.44 0.00 2.08 1.98 0.00 3.61 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 2.10 2.11 0.00 99 C 8.64 4.21 0.00 2.91 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 0.00 100 H 8.61 3.88 0.00 3.24 3.31 0.00 5.65 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 0.00 101 A 8.02 4.10 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 0.00 102 A 7.43 4.72 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 0.00 103 A 9.44 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.31 5.73 0.00 3.36 3.09 0.00 5.52 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.68 4.82 0.00 3.90 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 0.00 106 I 8.59 5.19 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 1.38 0.82 0.96 0.00 0.00 107 S 9.18 5.11 0.00 3.84 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 0.00 108 N 9.19 4.88 0.00 2.77 2.94 0.00 0.00 7.24 8.08 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 0.00 109 D 8.57 5.03 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.40 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.49 4.58 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 0.00 112 E 7.74 4.80 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 113 T 8.32 4.10 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 1.27 0.00 0.00 114 L 8.93 4.64 0.00 1.77 1.70 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.94 4.92 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 1.03 0.00 0.00 0.95 0.00 0.00 116 C 9.00 5.39 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 9.06 5.03 0.00 1.76 1.70 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.15 4.84 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 0.88 0.00 0.00 1.01 0.00 0.00 119 I 9.00 5.12 1.98 0.00 0.00 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 1.23 0.80 0.97 0.00 0.00 120 G 9.13 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 8.61 4.45 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 122 R 8.68 4.76 0.00 1.70 1.86 0.00 3.11 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 123 L 9.06 4.88 0.00 1.46 1.52 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.86 4.56 0.00 2.58 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 0.00 125 Q 7.81 5.11 0.00 1.67 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 126 D 8.95 4.82 0.00 2.72 2.38 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 0.00 127 V 8.40 4.75 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 0.55 0.00 0.00 1.08 0.00 0.00 128 V 8.41 4.54 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 0.21 0.00 0.00 0.73 0.00 0.00 129 D 8.54 4.95 0.00 2.43 2.41 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 0.00 130 Y 8.49 5.34 0.00 2.93 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 0.00 131 P 0.00 4.36 0.00 2.43 2.20 0.00 3.74 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 2.06 2.07 0.00 132 N 8.43 4.49 0.00 2.93 2.87 0.00 0.00 6.84 7.69 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 0.00 133 Q 8.07 4.31 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.27 0.00 134 H 7.84 4.13 0.00 3.22 3.38 0.00 5.71 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.82 4.96 0.00 1.79 1.72 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.65 7.81 136 R 9.01 4.84 0.00 1.74 1.59 0.00 2.88 0.00 0.00 2.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 137 L 8.95 5.04 0.00 2.03 1.65 1.03 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 9.18 4.78 0.00 2.83 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 0.00 139 R 8.98 4.72 0.00 1.17 1.45 0.00 2.86 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.00 140 N 9.21 4.88 0.00 2.61 2.68 0.00 0.00 6.76 6.46 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 0.00 141 N 10.01 4.14 0.00 2.76 2.83 0.00 0.00 7.11 7.51 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 0.00 142 G 8.24 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 0.00 143 E 8.27 4.43 0.00 2.06 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 2.35 0.00 144 W 8.91 5.25 0.00 3.04 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 0.00 145 N 9.45 5.02 0.00 2.94 2.87 0.00 0.00 6.14 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 0.00 146 L 8.74 5.22 0.00 1.86 1.72 1.22 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.89 4.51 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 1.08 0.00 0.00 1.16 0.00 0.00 148 D 8.62 4.81 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 A 8.47 4.53 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 0.00 151 D 8.44 4.73 0.00 2.84 2.74 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 0.00 152 I 7.53 4.28 1.93 0.00 0.00 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 1.57 0.78 1.01 0.00 0.00 153 R 8.48 4.19 0.00 2.07 1.91 0.00 3.31 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.17 0.00 154 V 8.20 4.00 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 0.88 0.00 0.00 0.97 0.00 0.00 155 L 8.46 4.32 0.00 1.69 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.50 4.67 0.00 1.75 1.78 0.00 3.21 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 157 E 8.74 4.19 0.00 1.91 1.82 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 2.24 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.