NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.1296 8.3444 121.7121 55.4415 29.5086 176.8197 4 L 3.9678 8.5431 121.2257 53.0176 41.0071 175.5570 5 T 4.0782 9.1356 118.4888 61.9307 71.5936 173.7538 6 E 4.1752 8.5620 120.3132 58.7909 29.6946 178.0646 7 E 4.0377 8.0634 118.3463 59.1102 29.5211 179.0310 8 Q 3.6109 7.9644 118.2942 58.8206 28.6837 178.6054 9 I 4.0899 7.5659 119.3457 64.1357 37.1775 178.4706 10 A 4.0800 8.0145 124.1937 55.7362 18.2259 180.1880 11 E 3.9736 8.1513 116.9755 61.3624 29.8136 181.1774 12 F 5.1351 8.7481 119.0234 60.0467 38.7612 177.6782 13 K 3.9593 7.9377 118.8026 58.9208 32.1212 178.1930 14 E 4.1260 8.1960 119.2862 59.0919 29.6227 178.5071 15 A 4.2443 8.5432 121.0987 55.2699 18.4198 179.3601 16 F 3.3127 8.3674 119.4478 61.0788 39.1724 177.3689 17 S 4.1347 7.7726 112.5625 60.7680 62.9895 176.0414 18 L 4.1233 7.7672 122.2503 57.0275 41.3958 178.7364 19 F 4.2591 7.9089 116.6345 59.2587 40.9567 177.1574 20 D 4.6625 7.6744 120.0611 52.6039 37.8589 176.1303 21 K 3.7941 8.0733 123.1352 59.1713 32.5166 178.2266 22 D 4.4013 8.0846 114.6647 53.6372 39.8573 176.7282 23 G 4.4138 8.0763 108.7873 46.4750 0.0000 174.4667 24 D 4.6521 8.9230 117.3566 53.1324 39.4036 177.3227 25 G 4.1746 8.5600 106.8878 45.7999 0.0000 173.5770 26 T 5.1575 8.1884 108.5511 59.9610 72.1991 173.3024 27 I 4.6756 8.9880 125.0551 60.1071 39.3526 175.3946 28 T 4.9303 8.6541 117.4399 60.0221 71.4005 175.8441 29 T 3.9074 8.5199 112.1548 64.8261 68.5088 176.5858 30 K 3.9494 7.9749 120.7377 59.4826 32.2178 179.0197 31 E 3.9579 8.0585 118.3622 59.2781 29.3686 179.2190 32 L 4.2613 8.5368 121.0262 57.7898 42.0682 179.3724 33 G 3.5888 8.4008 106.6865 47.9472 0.0000 175.9399 34 T 3.8662 8.0522 112.7801 64.2388 68.7658 176.8705 35 V 3.3728 7.7158 121.0375 66.1030 31.5193 177.9722 36 M 4.0822 8.0455 118.3145 58.5070 31.8426 179.0313 37 R 4.4369 8.4893 119.8695 58.3767 30.0211 179.0075 38 S 4.2485 7.9904 113.2387 60.2854 63.0086 175.2576 39 L 4.5346 7.2835 121.3798 54.2371 42.2258 177.2482 40 G 3.8208 7.5818 105.3668 46.1283 0.0000 174.5624 41 Q 4.4206 7.9543 120.3385 55.5702 31.2361 174.7116 42 N 4.9690 7.8907 110.0502 53.0853 40.0846 172.4176 43 P 4.6731 0.0000 0.0000 62.7104 33.0407 177.4026 44 T 4.4500 8.9066 111.6412 60.0752 71.7116 175.6367 45 E 3.8949 8.6730 119.2694 59.9489 29.1372 179.2318 46 A 3.9749 7.9426 121.5822 54.4628 18.5321 179.2667 47 E 3.9052 8.2461 117.0840 59.6090 29.7121 179.4848 48 L 4.0405 8.4617 119.2713 58.1265 41.7369 179.7607 49 Q 4.1376 8.5374 120.5877 59.4531 28.6208 179.1166 50 D 4.4170 8.3395 122.6655 58.5371 39.6148 181.4756 51 M 4.2465 7.9011 119.2172 58.4923 32.3441 178.5909 52 I 3.8541 7.6753 119.5150 64.3682 37.2938 178.0368 53 N 4.3502 7.9691 117.4351 56.6410 38.6425 176.3477 54 E 4.2974 7.7234 115.6120 57.4756 29.4113 177.5355 55 V 4.3789 7.5166 115.3517 62.4752 34.5875 175.3752 56 D 4.7122 8.0993 120.5673 52.8882 39.3637 175.6858 57 A 3.9488 8.2546 126.3074 54.9214 18.5152 178.6794 58 D 4.6137 8.8236 113.3072 52.4650 39.6257 176.9892 59 G 4.1298 8.3366 106.9127 46.7668 0.0000 174.2808 60 N 4.4997 7.9443 113.3278 53.2234 37.5588 174.7910 61 G 4.1065 9.7697 108.7738 45.0933 0.0000 173.6351 62 T 4.8368 7.3079 107.3757 59.8824 72.0318 173.9170 63 I 4.8094 8.6059 123.3542 59.8512 39.4024 175.4713 64 D 5.3696 8.9604 127.0597 51.8679 41.8773 177.4011 65 F 3.2056 8.5020 120.1156 60.7484 39.0494 175.0003 66 P 3.9479 0.0000 0.0000 65.8056 31.0765 178.4330 67 E 3.9948 9.2738 117.7123 59.1739 29.2555 179.2603 68 F 3.9782 8.1466 120.9135 60.9911 39.4339 177.0940 69 L 3.4975 8.2237 120.7658 58.0734 41.5552 178.9327 70 T 3.6529 7.7123 115.0147 66.7915 68.7138 175.6525 71 M 3.9523 7.9510 120.1820 59.1443 31.9638 178.1866 72 M 3.5477 7.2652 116.8729 58.0338 31.9155 178.2195 73 A 4.0217 7.4682 120.2233 54.7339 19.1181 179.4110 74 R 4.2110 7.7997 118.4236 56.0201 28.9637 178.2422 75 K 4.2190 7.7514 117.1427 57.8847 32.6489 178.5352 76 M 4.1318 7.9201 118.5973 57.4044 31.3835 177.4560 77 K 4.1769 7.5478 123.8765 54.8896 32.5026 182.8861 78 D 4.8462 8.0498 116.7332 52.6760 41.7085 177.2612 *81 S 4.3950 7.5656 121.0446 57.5989 65.2666 173.8741 82 E 4.5148 8.7232 123.2557 57.4371 29.4705 177.8568 83 E 4.6598 8.0489 118.0795 56.0855 31.4809 177.1962 84 E 4.1606 7.9954 119.1292 58.7490 30.0197 178.1009 85 I 4.0094 8.2264 120.2619 64.2259 37.2209 178.2484 86 R 4.0408 8.2256 119.2940 59.5479 30.0326 178.0820 87 E 4.0164 8.2146 118.8471 58.9700 29.7569 178.5470 88 A 4.1903 8.0614 121.0950 55.3298 18.5453 179.2185 89 F 3.1889 8.9978 119.5550 61.4712 39.1650 177.5680 90 R 3.8899 7.9701 116.3234 59.2649 29.8651 179.2023 91 V 3.6614 7.4820 111.0979 63.8590 31.4702 178.3900 92 F 4.3229 7.3133 116.0469 59.6562 40.7127 177.3984 93 D 4.6358 7.6766 120.5805 53.2469 37.8613 176.4291 94 K 3.9648 7.9429 122.6938 58.8235 32.7137 178.0301 95 D 4.4446 8.6474 116.0948 53.2298 39.7148 176.7923 96 G 3.9218 7.7957 107.6032 46.7075 0.0000 174.2180 97 N 4.5670 9.0876 115.7224 52.9655 37.9752 176.0257 98 G 4.0048 9.9644 109.0873 45.3478 0.0000 172.3963 99 Y 5.2521 7.8199 116.1481 56.2313 41.7986 174.8717 100 I 4.4478 9.1694 126.0835 60.4312 38.7720 175.8577 101 S 4.8918 8.8463 122.0653 56.8172 65.2877 175.3040 102 A 4.0000 8.6834 121.4658 55.3619 18.0352 179.7374 103 A 3.8445 7.9275 118.7158 55.3107 18.6063 179.6083 104 E 3.9800 8.0695 116.8956 59.3275 29.5557 179.2673 105 L 4.2502 8.0893 120.5112 58.1400 42.0887 178.9097 106 R 3.9179 8.2612 118.8951 59.9231 30.0065 178.1062 107 H 4.2411 8.0931 115.8845 59.0508 28.6559 177.9605 108 V 3.5975 7.8238 119.5142 65.9772 31.2303 178.0809 109 M 4.1299 8.1971 118.6895 58.4582 31.6789 178.7962 110 T 3.8449 8.2238 116.1606 66.9137 68.5045 176.3621 111 N 4.1357 7.8678 116.7729 56.3048 38.6525 176.7428 112 L 4.1891 7.6839 117.8197 54.5602 42.0102 176.9318 113 G 3.7604 8.6392 107.6076 46.7375 0.0000 173.1352 114 E 4.5168 8.5886 122.7152 54.2916 31.5706 175.5321 115 K 4.5460 8.5821 127.5712 52.9900 32.9495 172.9205 116 L 5.1245 8.1713 123.7401 51.9100 45.5540 176.7403 117 T 4.1440 9.6514 113.9058 61.3002 69.7092 175.1008 118 D 4.3858 8.8978 123.3797 57.9947 40.7211 179.2025 119 E 3.9603 7.6962 118.1369 59.6063 29.4953 179.3209 120 E 3.9809 8.2894 118.5841 59.3485 29.4954 179.6450 121 V 3.6529 7.6391 117.9319 65.9766 31.7230 177.6749 122 D 4.3833 8.3853 118.9743 57.1996 40.5609 178.3635 123 E 3.9209 8.3720 119.8826 59.5479 29.2766 178.7486 124 M 4.0461 7.9796 118.6164 58.5250 31.9550 178.7750 125 I 3.7628 7.8369 119.8413 64.2613 37.0412 178.2703 126 R 3.9423 8.2755 121.1857 60.3670 30.0447 178.9747 127 E 4.0983 8.2989 115.9240 60.3646 29.6988 179.9006 128 A 4.5429 7.4003 116.8290 53.1467 19.8860 177.4736 129 D 4.4610 7.9208 117.2098 54.6945 42.0029 175.1571 130 I 4.3414 9.3335 126.4779 63.0299 38.9776 176.9638 131 D 4.3978 8.3556 116.7660 54.2295 39.6630 177.2083 132 G 3.9549 8.5251 107.9150 45.5522 0.0000 173.8157 133 D 4.3707 8.2111 118.5744 54.1335 39.5207 177.3783 134 G 3.9089 9.1292 108.3886 45.7487 0.0000 172.5525 135 Q 4.7078 8.4386 117.0299 54.1074 33.8516 174.4797 136 V 5.3315 9.0123 119.7073 60.6427 33.9864 174.9545 137 N 5.4899 8.9782 125.7668 51.1630 39.7258 175.4015 138 Y 3.2088 8.3348 118.7008 60.7784 37.9846 177.4956 139 E 3.6720 8.1162 119.3543 59.4702 29.5899 178.4093 140 E 4.0853 8.7249 118.2524 58.6162 29.4540 178.9709 141 F 4.1776 8.1380 121.1986 61.2620 39.4600 177.0038 142 V 3.3276 7.5898 117.8266 66.2607 31.0768 177.8839 143 Q 4.0876 7.3818 117.4931 58.2997 28.6666 178.5695 144 M 4.2336 7.3601 118.0109 57.2478 32.4215 176.0585 145 M 4.8677 8.0779 117.2487 54.6204 31.9649 175.0550 146 T 4.1371 7.7779 114.9217 63.1851 68.9688 173.1985 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 3 Q 8.34 4.13 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.10 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 4 L 8.54 3.97 0.00 1.75 1.65 1.15 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.14 4.08 4.43 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 1.28 0.00 0.00 6 E 8.56 4.18 0.00 2.07 1.98 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 2.37 2.41 0.00 7 E 8.06 4.04 0.00 2.05 1.94 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 2.38 2.44 0.00 8 Q 7.96 3.61 0.00 2.29 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 9 I 7.57 4.09 2.13 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 1.63 1.70 1.13 0.00 0.00 10 A 8.01 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.15 3.97 0.00 1.99 1.97 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 2.24 2.22 0.00 12 F 8.75 5.14 0.00 3.38 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.94 3.96 0.00 1.46 2.02 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.33 7.81 14 E 8.20 4.13 0.00 2.20 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 2.35 2.44 0.00 15 A 8.54 4.24 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 0.00 0.00 0.00 0.00 0.00 16 F 8.37 3.31 0.00 3.02 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 17 S 7.77 4.13 0.00 4.04 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 18 L 7.77 4.12 0.00 1.98 1.69 0.99 0.99 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 19 F 7.91 4.26 0.00 2.68 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 20 D 7.67 4.66 0.00 2.15 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 0.00 0.00 0.00 0.00 21 K 8.07 3.79 0.00 1.86 1.84 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.35 7.81 22 D 8.08 4.40 0.00 2.78 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 23 G 8.08 4.41 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 0.00 24 D 8.92 4.65 0.00 2.80 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 G 8.56 4.17 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 0.00 0.00 0.00 26 T 8.19 5.16 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 1.29 0.00 0.00 27 I 8.99 4.68 1.89 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.14 0.98 0.00 0.00 28 T 8.65 4.93 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 29 T 8.52 3.91 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 30 K 7.97 3.95 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.54 7.81 31 E 8.06 3.96 0.00 2.19 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 2.31 2.31 0.00 32 L 8.54 4.26 0.00 1.92 1.89 1.18 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.40 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.05 3.87 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 1.30 0.00 0.00 35 V 7.72 3.37 1.83 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 0.49 0.00 0.00 0.53 0.00 0.00 36 M 8.05 4.08 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.64 0.00 37 R 8.49 4.44 0.00 1.82 1.94 0.00 3.12 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 38 S 7.99 4.25 0.00 3.95 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 39 L 7.28 4.53 0.00 1.72 1.63 0.88 1.01 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 40 G 7.58 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 0.00 0.00 0.00 41 Q 7.95 4.42 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 42 N 7.89 4.97 0.00 2.59 2.67 0.00 0.00 6.90 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 43 P 0.00 4.67 0.00 2.24 2.05 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 44 T 8.91 4.45 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 1.26 0.00 0.00 45 E 8.67 3.89 0.00 2.18 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 2.37 2.35 0.00 46 A 7.94 3.97 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 47 E 8.25 3.91 0.00 2.25 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 2.34 2.36 0.00 48 L 8.46 4.04 0.00 1.90 1.75 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.54 4.14 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 50 D 8.34 4.42 0.00 2.67 2.67 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 51 M 7.90 4.25 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.61 0.00 52 I 7.68 3.85 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.06 0.99 0.00 0.00 53 N 7.97 4.35 0.00 3.01 3.04 0.00 0.00 7.17 8.01 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 54 E 7.72 4.30 0.00 2.16 1.96 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 2.34 2.50 0.00 55 V 7.52 4.38 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 0.68 0.00 0.00 0.92 0.00 0.00 56 D 8.10 4.71 0.00 3.04 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.25 3.95 1.29 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 0.00 0.00 58 D 8.82 4.61 0.00 2.84 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 59 G 8.34 4.13 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 0.00 0.00 0.00 60 N 7.94 4.50 0.00 2.91 3.09 0.00 0.00 7.14 6.88 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 61 G 9.77 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 0.00 0.00 0.00 62 T 7.31 4.84 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 1.24 0.00 0.00 63 I 8.61 4.81 2.01 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 1.35 0.97 1.15 0.00 0.00 64 D 8.96 5.37 0.00 2.86 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 65 F 8.50 3.21 0.00 2.18 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 66 P 0.00 3.95 0.00 2.28 2.02 0.00 3.73 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 2.11 2.18 0.00 67 E 9.27 3.99 0.00 2.14 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 2.31 2.56 0.00 68 F 8.15 3.98 0.00 3.32 3.06 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 69 L 8.22 3.50 0.00 0.89 1.34 0.75 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.71 3.65 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 1.11 0.00 0.00 71 M 7.95 3.95 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 72 M 7.27 3.55 0.00 0.51 1.11 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.75 0.00 73 A 7.47 4.02 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 74 R 7.80 4.21 0.00 2.09 1.85 0.00 3.22 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 75 K 7.75 4.22 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.71 1.43 7.81 76 M 7.92 4.13 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 77 K 7.55 4.18 0.00 1.76 1.63 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.25 7.81 78 D 8.05 4.85 0.00 2.68 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 *81 S 7.57 4.40 0.00 3.93 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 82 E 8.72 4.51 0.00 1.99 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 0.00 2.36 2.39 0.00 83 E 8.05 4.66 0.00 1.97 1.97 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 2.30 2.27 0.00 84 E 8.00 4.16 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 85 I 8.23 4.01 2.12 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 1.80 0.74 1.12 0.00 0.00 86 R 8.23 4.04 0.00 2.20 2.14 0.00 2.70 0.00 0.00 2.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 87 E 8.21 4.02 0.00 2.17 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 2.42 0.00 88 A 8.06 4.19 1.86 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 89 F 9.00 3.19 0.00 3.16 3.25 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 90 R 7.97 3.89 0.00 2.03 1.96 0.00 3.21 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 91 V 7.48 3.66 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 0.79 0.00 0.00 0.46 0.00 0.00 92 F 7.31 4.32 0.00 2.94 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 93 D 7.68 4.64 0.00 1.86 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 0.00 0.00 0.00 94 K 7.94 3.96 0.00 1.77 1.83 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.50 7.81 95 D 8.65 4.44 0.00 2.77 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 96 G 7.80 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 97 N 9.09 4.57 0.00 2.93 3.05 0.00 0.00 7.06 6.89 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 98 G 9.96 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 99 Y 7.82 5.25 0.00 3.00 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 0.00 100 I 9.17 4.45 1.85 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.57 0.87 0.00 0.00 101 S 8.85 4.89 0.00 3.94 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 0.00 102 A 8.68 4.00 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 0.00 103 A 7.93 3.84 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 0.00 104 E 8.07 3.98 0.00 2.17 2.27 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 2.36 2.33 0.00 105 L 8.09 4.25 0.00 1.84 1.90 1.13 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.26 3.92 0.00 1.89 2.08 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 107 H 8.09 4.24 0.00 3.41 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.82 3.60 2.16 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 0.65 0.00 0.00 0.72 0.00 0.00 109 M 8.20 4.13 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 3.06 0.00 110 T 8.22 3.84 4.45 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 1.21 0.00 0.00 111 N 7.87 4.14 0.00 2.65 2.83 0.00 0.00 7.19 8.02 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 0.00 112 L 7.68 4.19 0.00 1.81 1.65 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.64 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 0.00 0.00 0.00 114 E 8.59 4.52 0.00 1.88 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 2.25 2.28 0.00 115 K 8.58 4.55 0.00 1.81 1.59 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.29 1.01 7.81 116 L 8.17 5.12 0.00 1.59 1.61 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 117 T 9.65 4.14 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 1.32 0.00 0.00 118 D 8.90 4.39 0.00 2.74 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 0.00 119 E 7.70 3.96 0.00 2.12 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 2.33 2.41 0.00 120 E 8.29 3.98 0.00 2.20 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 2.32 0.00 121 V 7.64 3.65 2.23 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 1.13 0.00 0.00 0.95 0.00 0.00 122 D 8.39 4.38 0.00 2.94 2.71 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 0.00 123 E 8.37 3.92 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 124 M 7.98 4.05 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.61 0.00 125 I 7.84 3.76 2.07 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 1.66 0.97 0.97 0.00 0.00 126 R 8.28 3.94 0.00 1.93 2.13 0.00 3.27 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 127 E 8.30 4.10 0.00 2.10 1.86 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 2.26 2.20 0.00 128 A 7.40 4.54 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 0.00 129 D 7.92 4.46 0.00 2.79 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 0.00 130 I 9.33 4.34 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.98 0.92 0.00 0.00 131 D 8.36 4.40 0.00 2.80 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 0.00 132 G 8.53 3.95 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 0.00 133 D 8.21 4.37 0.00 2.79 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 0.00 134 G 9.13 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.44 4.71 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 136 V 9.01 5.33 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 1.23 0.00 0.00 0.99 0.00 0.00 137 N 8.98 5.49 0.00 2.62 2.80 0.00 0.00 6.35 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 0.00 138 Y 8.33 3.21 0.00 2.19 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.12 3.67 0.00 2.05 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 0.00 2.35 2.42 0.00 140 E 8.72 4.09 0.00 2.12 2.20 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 2.34 2.64 0.00 141 F 8.14 4.18 0.00 3.41 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 0.00 142 V 7.59 3.33 1.92 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 0.86 0.00 0.00 0.21 0.00 0.00 143 Q 7.38 4.09 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 144 M 7.36 4.23 0.00 1.90 2.11 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 145 M 8.08 4.87 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 146 T 7.78 4.14 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 1.14 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.