NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.9071 8.3493 120.5334 54.0348 41.9342 175.6831 8 D 4.4414 7.3801 113.5813 52.1962 40.3006 175.2576 9 C 4.3940 9.6821 118.3168 58.3682 43.6114 173.0364 10 Q 5.3011 7.6022 114.2870 54.1146 32.8017 174.8300 11 V 4.5243 8.7040 119.5281 61.1818 35.1017 172.4539 12 T 4.9785 8.3605 119.3505 61.8753 70.6991 173.7158 13 N 3.9740 8.9818 125.7669 52.3544 39.1006 174.2547 14 P 3.7647 0.0000 0.0000 65.5487 31.8479 178.4441 15 S 4.3152 8.8751 114.8008 60.1909 62.8081 174.7086 16 T 4.3832 7.3969 105.6262 60.0664 69.9769 175.6997 17 G 3.9240 8.9635 110.7210 45.8526 0.0000 172.9213 18 H 4.1984 7.4769 120.9893 55.7006 30.9389 173.7304 19 L 4.6910 7.9026 127.9308 53.9047 43.0825 175.4121 20 F 4.7007 9.1850 125.7445 56.3632 41.2463 174.6001 21 D 5.0150 8.5022 121.0859 52.8042 44.0974 174.7100 22 L 4.4302 8.5145 124.8174 54.2834 42.4079 178.1624 23 S 4.3259 8.7076 116.7643 60.7095 62.6182 176.8986 24 S 4.4202 7.9758 113.4860 60.0625 62.8326 174.4625 25 L 4.6133 8.0164 120.1050 54.8175 41.8085 176.5857 26 S 5.0344 7.6639 116.6880 56.3893 64.1434 172.5694 27 G 4.1895 8.5890 107.2329 44.2709 0.0000 175.5233 28 R 4.2000 8.9009 118.5668 58.0170 30.6471 179.2824 29 A 4.2956 7.6081 119.7823 53.4999 19.1194 178.6094 30 G 3.5612 7.1235 104.3509 46.3155 0.0000 170.9580 31 F 5.1176 8.9727 119.0804 56.3975 44.0905 173.5958 32 T 5.2470 8.5820 107.8499 60.3038 72.0002 173.1093 33 A 4.8597 8.6593 123.4834 49.7499 22.3530 175.5869 34 A 4.5537 8.6583 123.2201 52.2387 19.7061 176.3728 35 Y 4.6207 8.3807 122.3063 56.9916 41.9397 175.8358 36 S 3.4030 8.3872 120.9497 58.9848 62.2444 171.4295 37 E 4.0591 8.7127 115.0666 59.2283 29.3730 177.7325 38 K 4.4643 7.8457 112.6997 55.6492 34.1041 175.9866 39 G 4.3781 7.6912 107.8756 45.6015 0.0000 172.2703 40 L 5.0574 8.1539 118.1363 55.2085 43.9474 173.7003 41 V 4.7262 8.6764 119.4537 61.2046 34.1970 174.1558 42 Y 4.8171 8.7916 125.9544 58.1907 39.4875 174.3156 43 M 5.3590 9.3171 122.2319 54.6287 36.2940 173.5143 44 S 5.3132 9.4621 121.8664 56.9664 66.5038 173.2015 45 I 4.5130 8.5190 123.3245 61.1385 38.1334 176.8013 46 C 4.7899 8.7844 122.4119 57.0876 37.9829 173.0629 47 G 3.9698 7.5524 106.6067 44.9811 0.0000 173.5712 48 E 4.1873 7.8941 117.3401 55.9482 30.6005 175.1281 49 N 5.2262 8.6998 118.2088 50.7505 40.7758 175.7850 50 E 4.0146 9.0881 123.7282 58.6255 29.7834 177.8425 51 N 4.4845 8.2827 115.8562 53.3469 38.8712 173.7473 52 C 4.9843 7.5085 115.4521 53.8537 41.9343 171.7882 53 P 4.4814 0.0000 0.0000 61.6749 31.5201 174.4551 54 P 4.3731 0.0000 0.0000 64.4411 31.6315 177.4658 55 G 3.8785 9.7214 111.1941 45.2306 0.0000 172.8418 56 V 4.2245 7.5913 121.1610 62.1705 32.3842 176.7439 57 G 3.6373 8.8380 114.5537 47.2882 0.0000 173.1576 58 A 5.8909 7.9541 121.3447 50.7561 22.8269 173.9871 59 C 5.0470 8.4863 114.0659 53.8288 45.0222 173.3071 60 F 4.5103 8.6381 120.0080 57.8578 39.0790 176.7159 61 G 3.7169 9.3117 111.7052 49.6711 0.0000 175.0056 62 Q 4.3658 8.4648 120.6343 57.6716 29.6969 176.2556 63 T 4.4622 7.7642 105.8116 60.2650 70.7523 175.2335 64 R 3.9894 8.6381 118.8862 56.7584 28.5620 176.0233 65 I 3.9861 7.2506 119.4190 61.3780 38.2711 175.5974 66 S 4.6656 8.8373 121.4952 58.0741 63.6787 174.3036 67 V 4.2039 9.7609 119.7877 58.8310 32.7780 174.5967 68 G 4.2004 7.4795 113.2817 44.5048 0.0000 173.0956 69 K 4.4818 8.5599 125.0689 55.8134 33.2715 176.8086 70 A 3.0419 8.4039 126.6629 51.9772 19.5241 175.9965 71 N 4.7563 8.1596 115.6031 52.1659 41.0979 174.7833 72 K 4.5382 8.4435 114.4652 56.3703 33.1412 177.0989 73 R 4.4687 8.3574 121.0175 55.5474 28.0510 174.2962 74 L 4.4693 7.9070 122.4611 54.5923 43.1661 175.6268 75 R 4.8885 9.0745 124.5230 54.4953 34.3349 173.7616 76 Y 5.1770 8.2909 121.0825 55.9021 42.1508 174.9820 77 V 4.0829 8.5450 124.9473 61.9649 34.8688 173.5842 78 D 4.3612 9.4055 125.4169 55.5486 38.1000 174.2681 79 Q 3.7087 7.2891 112.1397 56.2278 26.9489 173.7491 80 V 4.4193 6.9408 118.7396 61.0125 34.1506 174.3200 81 L 5.1904 8.4892 127.0921 53.4324 44.0615 175.3303 82 Q 5.1641 9.1431 123.2222 54.7690 33.1131 173.1498 83 L 5.0556 9.0307 125.3337 52.8994 45.2134 175.6909 84 V 4.6494 8.2766 121.3847 61.5486 34.2652 174.6530 85 Y 4.9716 8.9381 127.6394 56.1812 38.6152 175.8912 86 K 4.4915 8.5891 124.5673 54.6713 34.6779 175.9217 87 D 4.3948 8.4137 117.4562 55.6096 39.2208 172.7587 88 G 4.2070 7.8016 106.7523 45.6567 0.0000 174.3067 89 S 4.6780 8.5986 114.4178 57.2191 64.6718 172.1372 90 P 4.6067 0.0000 0.0000 63.1577 31.9715 176.7186 91 C 3.8468 8.9957 124.7063 54.8724 43.5333 172.7277 92 P 4.0799 0.0000 0.0000 64.9574 31.1080 177.5185 93 S 4.4097 7.8140 110.6066 58.6195 63.9278 174.2195 94 K 4.3443 7.7639 120.6051 54.4580 34.1447 175.6751 95 S 4.2679 8.5871 120.3037 60.3153 63.0939 175.5558 96 G 3.9584 9.0256 113.1283 44.9974 0.0000 172.9194 97 L 4.7532 7.5683 119.2369 53.2995 44.5686 175.5710 98 S 5.1801 8.1941 115.2660 56.5953 66.6650 173.9467 99 Y 5.1792 8.9491 120.4998 58.0949 38.9758 175.4439 100 K 5.0942 8.6261 120.0570 55.7630 36.8488 174.7099 101 S 5.2008 9.0371 116.7887 56.7657 66.6533 173.1719 102 V 4.6751 8.8899 124.5797 61.0973 33.9820 174.1638 103 I 4.7379 8.8926 129.2037 59.7851 39.8712 174.5389 104 S 5.1461 8.6395 123.9079 56.6129 65.6727 173.2988 105 F 5.8110 9.3365 123.6030 55.2250 41.0717 175.3251 106 V 4.7711 8.1368 115.7573 59.0054 35.7328 175.5327 107 C 4.7731 8.8913 123.0581 57.2499 42.7882 173.0644 108 R 4.5898 8.5649 125.6329 54.1742 30.9191 174.4038 109 P 4.4577 0.0000 0.0000 64.8835 31.1366 177.0940 110 E 4.0544 6.7908 115.9403 57.8315 30.0232 175.7451 *115 N 4.4298 7.7110 116.0732 53.3209 40.2799 174.0740 116 R 3.9641 8.0674 123.1393 53.3692 31.7315 173.8839 117 P 3.9321 0.0000 0.0000 63.3735 31.9078 175.1383 118 M 4.6862 8.9962 121.4019 53.4713 35.2543 174.9477 119 L 4.2895 8.5972 125.6271 54.2897 41.7108 175.7845 120 I 4.1541 8.3276 121.3994 62.6232 39.0850 176.3518 121 S 4.5507 7.7326 116.3720 56.7343 66.0058 172.7107 122 L 5.0152 8.5141 129.2378 53.3121 43.0233 175.1031 123 D 4.5717 9.3193 128.5591 53.9988 41.3960 177.3114 124 K 4.1568 8.8878 126.6399 59.3743 32.4665 178.7213 125 Q 4.1917 8.1517 117.1017 57.9388 28.5092 176.5820 126 T 4.4899 7.5884 104.9762 60.2530 70.3225 173.4031 127 C 4.2670 8.2351 119.2632 58.4398 36.5235 172.2166 128 T 4.8789 7.2428 112.5536 62.2021 70.1815 174.3869 129 L 4.6680 8.8874 127.7147 53.8810 43.1792 175.6313 130 F 5.1791 9.1897 124.0688 55.8965 41.0094 175.2149 131 F 5.5279 9.5454 122.6998 55.7334 42.6031 174.5233 132 S 5.2332 9.1884 115.7395 56.4669 66.8081 173.0437 133 W 5.2561 8.8077 131.3162 56.4360 33.7265 173.5239 134 H 5.0625 9.2638 125.7222 55.3092 28.9522 174.8603 135 T 4.8197 8.8937 118.0977 59.6481 70.6787 173.1618 136 P 4.3413 0.0000 0.0000 65.3425 31.5905 178.2366 137 L 4.1440 7.8724 116.8705 56.4912 41.5498 177.4588 138 A 4.7055 8.1377 120.8123 51.8747 19.1797 175.4330 139 C 5.0674 8.1049 115.9316 56.5443 42.0083 173.9776 140 E 4.0835 8.6250 119.9298 56.5345 29.3504 175.3493 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 D 8.35 4.91 0.00 2.70 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 8 D 7.38 4.44 0.00 2.84 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 9 C 9.68 4.39 0.00 3.12 3.11 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 10 Q 7.60 5.30 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.33 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 11 V 8.70 4.52 2.29 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 0.83 0.00 0.00 1.04 0.00 0.00 12 T 8.36 4.98 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 1.22 0.00 0.00 13 N 8.98 3.97 0.00 2.08 2.55 0.00 0.00 6.79 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 3.76 0.00 2.26 2.29 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 15 S 8.88 4.32 0.00 4.02 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 16 T 7.40 4.38 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 17 G 8.96 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 18 H 7.48 4.20 0.00 2.99 3.01 0.00 5.77 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 19 L 7.90 4.69 0.00 1.53 1.35 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.18 4.70 0.00 3.03 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 21 D 8.50 5.02 0.00 2.55 2.43 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 22 L 8.51 4.43 0.00 1.47 1.20 -0.43 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.71 4.33 0.00 3.98 4.32 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 24 S 7.98 4.42 0.00 4.01 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 25 L 8.02 4.61 0.00 1.56 1.70 -0.19 0.71 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 26 S 7.66 5.03 0.00 3.94 3.84 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 27 G 8.59 4.19 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 0.00 0.00 0.00 28 R 8.90 4.20 0.00 1.86 1.95 0.00 3.39 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 0.00 29 A 7.61 4.30 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.12 3.56 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 0.00 0.00 0.00 31 F 8.97 5.12 0.00 2.98 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 32 T 8.58 5.25 4.14 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 0.00 0.00 0.00 1.14 0.00 0.00 33 A 8.66 4.86 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 34 A 8.66 4.55 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 35 Y 8.38 4.62 0.00 3.08 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 36 S 8.39 3.40 0.00 2.76 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 37 E 8.71 4.06 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 38 K 7.85 4.46 0.00 1.66 1.77 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.37 7.81 39 G 7.69 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.15 5.06 0.00 1.80 1.71 0.11 0.27 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 41 V 8.68 4.73 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 0.94 0.00 0.00 0.70 0.00 0.00 42 Y 8.79 4.82 0.00 2.94 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 43 M 9.32 5.36 0.00 1.92 1.67 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.68 0.00 44 S 9.46 5.31 0.00 3.88 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 45 I 8.52 4.51 2.20 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.27 0.88 0.00 0.00 46 C 8.78 4.79 0.00 3.18 3.23 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 47 G 7.55 3.97 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 0.00 48 E 7.89 4.19 0.00 2.18 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 2.31 2.25 0.00 49 N 8.70 5.23 0.00 2.84 2.69 0.00 0.00 6.86 7.14 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 50 E 9.09 4.01 0.00 2.09 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 0.00 2.33 2.17 0.00 51 N 8.28 4.48 0.00 2.06 1.86 0.00 0.00 6.79 8.18 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 52 C 7.51 4.98 0.00 3.03 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 53 P 0.00 4.48 0.00 2.16 1.97 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 54 P 0.00 4.37 0.00 2.01 1.98 0.00 3.70 0.00 0.00 3.63 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 55 G 9.72 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 0.00 0.00 0.00 56 V 7.59 4.22 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 0.94 0.00 0.00 0.96 0.00 0.00 57 G 8.84 3.64 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 0.00 0.00 0.00 58 A 7.95 5.89 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 59 C 8.49 5.05 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.64 4.51 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.31 3.72 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 0.00 0.00 0.00 62 Q 8.46 4.37 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 63 T 7.76 4.46 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 1.23 0.00 0.00 64 R 8.64 3.99 0.00 2.01 2.09 0.00 3.55 0.00 0.00 3.60 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 65 I 7.25 3.99 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 1.10 0.00 0.00 66 S 8.84 4.67 0.00 3.92 3.76 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 67 V 9.76 4.20 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 -0.42 0.00 0.00 0.73 0.00 0.00 68 G 7.48 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 0.00 0.00 0.00 0.00 69 K 8.56 4.48 0.00 1.78 1.66 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.55 7.81 70 A 8.40 3.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.16 4.76 0.00 2.86 2.95 0.00 0.00 5.79 6.45 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 72 K 8.44 4.54 0.00 1.81 1.89 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.43 7.81 73 R 8.36 4.47 0.00 1.96 1.94 0.00 3.19 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.61 0.00 74 L 7.91 4.47 0.00 1.63 1.58 0.90 0.91 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 75 R 9.07 4.89 0.00 1.79 1.81 0.00 3.15 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 1.56 1.57 0.00 76 Y 8.29 5.18 0.00 3.03 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 77 V 8.55 4.08 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 0.53 0.00 0.00 0.91 0.00 0.00 78 D 9.41 4.36 0.00 2.68 2.65 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 79 Q 7.29 3.71 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 80 V 6.94 4.42 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 0.94 0.00 0.00 0.85 0.00 0.00 81 L 8.49 5.19 0.00 1.66 1.48 0.67 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.14 5.16 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 83 L 9.03 5.06 0.00 1.43 1.27 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.28 4.65 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 0.86 0.00 0.00 0.94 0.00 0.00 85 Y 8.94 4.97 0.00 2.83 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 86 K 8.59 4.49 0.00 1.75 1.77 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.65 7.81 87 D 8.41 4.39 0.00 2.80 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 88 G 7.80 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.60 4.68 0.00 4.05 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 90 P 0.00 4.61 0.00 1.97 2.03 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 91 C 9.00 3.85 0.00 2.39 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 92 P 0.00 4.08 0.00 2.10 2.11 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 93 S 7.81 4.41 0.00 3.98 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 94 K 7.76 4.34 0.00 1.63 1.69 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.60 7.81 95 S 8.59 4.27 0.00 3.84 3.82 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 96 G 9.03 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 97 L 7.57 4.75 0.00 1.65 1.51 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.19 5.18 0.00 3.70 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 99 Y 8.95 5.18 0.00 2.95 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 0.00 100 K 8.63 5.09 0.00 1.78 1.87 0.00 1.42 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.39 7.81 101 S 9.04 5.20 0.00 3.86 3.85 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 0.00 0.00 0.00 102 V 8.89 4.68 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 1.08 0.00 0.00 0.69 0.00 0.00 103 I 8.89 4.74 1.69 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.32 0.49 0.00 0.00 104 S 8.64 5.15 0.00 3.70 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 0.00 105 F 9.34 5.81 0.00 2.82 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 0.00 106 V 8.14 4.77 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 0.75 0.00 0.00 0.69 0.00 0.00 107 C 8.89 4.77 0.00 3.18 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 0.00 108 R 8.56 4.59 0.00 1.94 1.87 0.00 3.34 0.00 0.00 3.72 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 109 P 0.00 4.46 0.00 2.11 2.12 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 110 E 6.79 4.05 0.00 1.93 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 2.34 0.00 *115 N 7.71 4.43 0.00 2.93 3.02 0.00 0.00 6.73 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 0.00 116 R 8.07 3.96 0.00 1.61 1.62 0.00 3.19 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.00 117 P 0.00 3.93 0.00 1.85 1.63 0.00 3.02 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.13 0.00 118 M 9.00 4.69 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 119 L 8.60 4.29 0.00 1.51 1.71 0.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.33 4.15 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.89 0.00 0.00 121 S 7.73 4.55 0.00 3.85 3.76 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 0.00 122 L 8.51 5.02 0.00 1.79 1.70 1.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 123 D 9.32 4.57 0.00 3.18 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 0.00 124 K 8.89 4.16 0.00 1.82 1.89 0.00 1.88 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.44 7.81 125 Q 8.15 4.19 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 126 T 7.59 4.49 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 1.29 0.00 0.00 127 C 8.24 4.27 0.00 3.19 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 0.00 128 T 7.24 4.88 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 0.24 0.00 0.00 129 L 8.89 4.67 0.00 1.57 1.12 0.81 0.50 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 0.00 130 F 9.19 5.18 0.00 2.78 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 0.00 131 F 9.55 5.53 0.00 2.74 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 0.00 132 S 9.19 5.23 0.00 3.81 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 0.00 133 W 8.81 5.26 0.00 3.11 2.53 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 0.00 134 H 9.26 5.06 0.00 3.30 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.89 4.82 4.14 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 0.00 0.00 0.00 1.27 0.00 0.00 136 P 0.00 4.34 0.00 2.25 2.14 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 137 L 7.87 4.14 0.00 1.51 1.66 0.73 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.14 4.71 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 C 8.10 5.07 0.00 3.15 3.08 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 0.00 140 E 8.62 4.08 0.00 1.54 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 2.41 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.