NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2515 8.1233 122.4140 52.1805 20.5178 175.3846 5 H 4.8095 8.1307 115.1957 53.8589 33.1800 171.0731 6 T 4.6808 9.4374 114.8805 61.7828 71.5250 172.1254 7 T 5.4018 8.5624 122.8797 62.5208 73.0769 173.2562 8 T 4.8642 8.9746 119.7118 62.2856 73.1660 173.3015 9 S 5.6900 8.3271 119.2024 55.7178 67.1380 172.6975 *11 E 4.2624 8.5681 118.4147 56.7531 30.3631 175.9024 12 I 4.2936 8.5233 124.0193 59.4549 40.9985 175.2817 13 F 4.9902 8.6455 125.0398 55.3816 37.3435 174.2041 14 G 3.9536 8.1160 103.4488 44.6973 0.0000 170.8849 15 S 4.3458 8.5042 118.9511 57.8705 63.8352 173.6172 16 P 4.2209 0.0000 0.0000 65.9316 31.6622 178.8540 17 E 4.1115 8.2030 117.4644 59.2362 28.9682 179.1507 18 Q 4.0346 8.0497 117.9418 59.1464 28.9306 178.8095 19 V 3.4677 7.4723 118.7652 65.9171 31.3592 177.8758 20 W 4.2491 8.1736 127.4631 60.3988 30.2867 178.0624 21 Q 3.9152 7.9832 117.5011 58.4551 28.1434 177.8514 22 L 4.2594 7.5502 120.2552 56.3260 42.4678 177.5684 23 I 4.2315 7.1580 109.8133 60.4039 38.3934 176.5715 24 G 2.1941 7.4936 109.6291 46.6257 0.0000 174.4595 25 G 3.7461 7.5180 109.9735 44.3098 0.0000 174.6331 26 F 3.8484 8.6391 126.6208 60.3278 39.5502 175.0304 27 N 4.6429 7.9984 116.4900 53.4800 38.8697 174.5307 28 S 4.7076 7.9600 111.7554 58.2389 63.5056 175.8411 29 L 3.5243 7.9444 123.2249 57.2581 41.3358 177.3934 30 P 4.8973 0.0000 0.0000 64.1482 31.3731 176.7223 31 D 4.6731 8.0811 118.8030 55.8795 40.9988 176.8785 32 W 5.1661 7.6709 111.4066 56.0324 32.1013 174.0600 33 L 4.3057 7.8289 122.6507 52.4478 41.3806 174.4897 34 P 4.2334 0.0000 0.0000 65.8797 31.4364 177.6466 35 Y 4.2200 8.1151 118.3596 59.5000 39.2136 174.7601 36 I 4.7583 7.5106 120.6054 57.4404 37.1215 174.0445 37 P 4.2781 0.0000 0.0000 64.6104 32.0072 176.8855 38 S 4.6860 7.5992 111.7659 56.5920 65.8692 172.7606 39 S 5.1061 8.4987 119.5327 56.7728 65.8501 172.6464 40 K 4.6762 8.6297 124.5461 54.9797 35.8692 174.6117 41 L 5.4517 8.5207 125.4247 53.4501 44.5330 175.3948 42 T 4.6146 8.6434 111.7344 59.8818 73.5319 172.8367 43 E 3.6838 9.3567 117.1465 57.8438 26.6847 176.0858 44 G 3.7940 9.3350 102.3017 46.5578 0.0000 174.7574 45 G 4.0980 7.9208 106.8581 45.3999 0.0000 175.9401 46 R 3.9201 8.2204 118.6010 57.7724 30.6269 176.1969 47 V 5.3352 7.8095 117.7844 60.8731 34.9145 174.3678 48 R 5.2149 9.2281 123.2625 54.7288 32.7793 174.0826 49 H 5.1810 9.3888 119.3691 54.4584 30.7724 173.5551 50 L 5.1170 9.3476 124.5301 52.8627 44.4871 175.4519 51 A 5.1953 8.4250 123.1596 50.2044 21.8720 176.1871 52 N 4.4119 8.1207 118.5981 49.2883 39.5273 174.1534 53 P 4.0547 0.0000 0.0000 65.8494 31.2673 177.1785 54 D 4.5501 8.0530 115.2777 54.0098 40.5765 177.1924 55 G 3.8527 8.2425 107.0287 45.7692 0.0000 174.3747 56 D 4.4440 8.5186 120.3159 54.4293 41.4392 175.1122 57 T 4.9114 8.0401 118.0687 62.2949 70.4400 174.3147 58 I 4.5466 8.8072 126.2795 59.6202 40.6054 174.3162 59 I 4.9328 8.9731 128.8418 59.6261 38.7703 175.1670 60 E 5.2372 9.1777 125.8992 54.5346 33.9765 174.7252 61 R 5.2408 9.4562 121.9839 54.3913 33.2594 174.4749 62 L 4.1120 8.8314 129.0643 55.4267 41.9733 175.7313 63 E 4.6002 9.5806 125.9953 57.6762 31.3152 176.7890 64 V 4.6515 7.6824 117.7029 61.3037 35.4550 173.6034 65 F 5.1424 8.6590 128.2817 56.7745 42.8000 172.9953 66 N 4.4089 7.8199 123.9824 51.9542 41.4583 174.3779 67 D 4.0720 8.6278 126.4054 57.2696 41.9100 177.9323 68 K 3.7083 8.0067 118.2772 59.5362 32.0560 176.9703 69 E 4.1075 7.8295 114.2269 55.4885 30.1218 176.7396 70 R 2.0000 6.8597 117.3955 55.1546 27.8289 174.1276 71 Y 5.8721 6.9336 115.4552 57.4413 42.3878 174.6344 72 Y 5.4681 8.4733 117.1345 56.4643 41.8249 173.4141 73 T 5.5457 9.8528 118.8225 62.2205 72.1219 172.6955 74 Y 5.6345 9.1736 123.0066 55.6860 42.3439 173.8277 75 S 5.4449 9.4293 114.3890 55.8778 66.9741 173.2076 76 I 4.6773 8.5626 121.4629 60.1272 39.5609 174.5522 *78 N 4.5973 8.3983 120.1683 53.9058 40.0116 173.1090 79 A 4.7160 8.2610 126.8788 50.9348 22.0014 173.9454 80 P 4.4423 0.0000 0.0000 63.2601 31.9515 176.8829 81 F 4.5048 7.2690 118.5386 57.6156 40.0127 173.8251 82 P 4.7988 0.0000 0.0000 61.5216 29.4759 174.1281 83 V 5.2100 7.3651 112.8210 61.6087 36.9440 174.9375 84 T 4.6271 9.0862 115.3031 61.3180 71.3596 172.8190 85 N 4.4707 8.9688 119.0711 54.3099 35.8761 173.9735 86 Y 4.5391 8.0526 119.3746 57.8051 40.1882 174.1535 87 L 4.8018 8.4357 127.9941 53.4362 46.0487 174.7988 88 S 4.8345 8.3228 119.2981 57.0148 66.4883 172.4085 89 T 5.1473 8.6789 119.6847 60.2925 71.0745 172.0346 90 I 4.9082 8.2945 127.9726 59.1756 40.9280 173.8642 91 Q 5.0059 9.0174 129.4071 54.4125 32.9776 173.9566 92 V 4.5608 8.4294 125.9312 61.4432 32.3106 175.3616 93 K 4.4229 9.0065 128.4377 54.8207 34.3299 176.2731 94 E 4.1376 8.5979 121.0554 56.8428 29.9667 178.1763 95 G 4.0595 8.2069 113.0321 45.0649 0.0000 173.3095 96 T 4.2053 8.3580 108.5268 62.6872 69.8739 174.3125 97 E 4.8208 8.2108 121.8940 54.0637 33.1249 176.8323 98 S 4.2716 8.7846 115.5491 60.4345 63.1905 174.6466 99 N 5.0274 8.1681 118.6278 52.4615 37.4477 173.3323 100 T 5.1965 7.7740 107.8813 61.0537 72.4508 172.5057 101 S 4.6576 8.7175 115.2392 57.2921 67.2692 172.8288 102 L 4.8145 8.7142 123.1422 53.4409 44.0155 175.0734 103 V 4.6289 8.2107 126.7097 61.6689 33.7203 174.2158 104 E 5.2051 9.3349 126.7128 54.2655 33.3071 174.4357 105 W 5.1616 9.1983 134.7360 55.7491 33.1796 174.2951 106 S 5.4025 9.0086 122.1549 56.8051 65.9759 173.2604 107 G 4.5426 9.3188 106.7855 45.0834 0.0000 171.8936 108 T 4.6563 8.4469 118.4632 61.4322 72.6932 173.0801 109 F 5.1622 7.7091 119.3862 56.4948 41.5914 173.7500 110 T 4.6634 9.1206 117.5379 61.0542 70.0001 172.3663 111 P 4.8595 0.0000 0.0000 62.7472 32.1878 175.8573 112 V 4.2231 8.6368 123.8851 61.5810 33.9383 175.4237 113 E 4.0239 9.3662 125.5894 56.9969 26.8984 174.1711 114 V 4.5576 7.0988 110.5791 58.9243 36.0682 175.1087 115 S 4.5168 9.9865 118.6504 57.9074 65.1026 175.2222 116 D 4.4428 8.5449 121.9169 57.5464 40.4986 178.7544 117 E 3.9796 8.2199 118.5569 59.7408 29.5925 179.2665 118 E 3.9166 8.2056 118.0498 59.2044 29.5772 179.3400 119 A 3.9341 8.0138 121.0324 54.9499 18.4621 179.8098 120 I 3.9435 8.2017 118.6287 64.6907 37.2135 178.2597 121 N 4.2353 8.2719 117.4403 56.3940 38.3818 176.7447 122 L 3.5406 7.4471 120.8675 58.4516 41.9981 179.1383 123 F 3.2973 7.3765 116.7691 60.3250 38.7902 177.2740 124 H 3.9831 8.5496 118.4990 59.0387 29.5905 177.5331 125 G 3.5275 8.2150 107.9745 47.7283 0.0000 175.8326 126 I 3.3486 7.0745 122.0347 64.0477 37.1764 177.9712 127 Y 3.6179 7.4974 117.9160 61.1077 37.6200 178.6621 128 S 4.2686 8.4275 114.2342 61.4633 62.4869 175.4750 129 D 4.4950 8.3183 120.8248 57.6034 40.9101 178.7815 130 G 3.9206 8.3790 105.9785 47.9971 0.0000 175.7997 131 L 4.3401 8.9377 122.1008 57.2802 41.5374 179.6195 132 K 4.0284 8.6505 119.8803 59.4359 32.2364 178.7576 133 A 4.0963 8.1715 121.0611 55.1287 18.4034 179.2538 134 L 4.1592 8.4827 118.9409 58.5533 42.2590 179.0351 135 Q 4.0995 8.3978 119.5129 59.4149 28.7697 178.2962 136 Q 4.1411 8.3235 118.2146 58.5762 28.8988 178.0472 137 A 4.1830 8.6300 122.3324 55.5289 18.2843 179.8470 138 F 3.9192 8.1459 114.1386 60.2873 39.0685 177.4394 139 L 4.2721 7.9431 118.9354 57.6559 43.0751 177.9869 140 D 4.7517 7.6165 120.5617 53.0526 37.4426 176.0507 141 L 4.0025 7.4589 124.5937 58.6652 41.1623 180.1228 142 E 4.0623 8.8885 117.5234 56.2014 31.0411 173.2064 143 H 5.0967 7.8664 112.9058 56.6049 31.5989 173.0267 144 H 4.5489 9.5187 126.3434 56.9072 28.6916 174.7660 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 4 A 8.12 4.25 1.19 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 5 H 8.13 4.81 0.00 2.96 3.00 0.00 5.75 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 6 T 9.44 4.68 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 1.54 0.00 0.00 7 T 8.56 5.40 4.29 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 1.31 0.00 0.00 8 T 8.97 4.86 4.39 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 1.29 0.00 0.00 9 S 8.33 5.69 0.00 3.72 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 *11 E 8.57 4.26 0.00 1.70 1.69 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 2.12 2.28 0.00 12 I 8.52 4.29 1.59 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 1.10 0.56 0.51 0.00 0.00 13 F 8.65 4.99 0.00 3.07 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 14 G 8.12 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 15 S 8.50 4.35 0.00 3.91 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 16 P 0.00 4.22 0.00 2.14 2.07 0.00 3.56 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 2.06 2.05 0.00 17 E 8.20 4.11 0.00 2.09 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 0.00 2.42 2.47 0.00 18 Q 8.05 4.03 0.00 2.27 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 19 V 7.47 3.47 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 0.76 0.00 0.00 0.37 0.00 0.00 20 W 8.17 4.25 0.00 3.42 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 21 Q 7.98 3.92 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.71 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 22 L 7.55 4.26 0.00 1.74 1.88 0.92 0.98 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 23 I 7.16 4.23 0.82 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 -0.51 0.00 0.00 24 G 7.49 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 0.00 0.00 0.00 25 G 7.52 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 26 F 8.64 3.85 0.00 2.56 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 27 N 8.00 4.64 0.00 2.65 2.71 0.00 0.00 6.93 7.63 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 28 S 7.96 4.71 0.00 4.12 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 29 L 7.94 3.52 0.00 1.55 1.48 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.90 0.00 2.13 2.24 0.00 3.19 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 31 D 8.08 4.67 0.00 3.08 2.90 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 32 W 7.67 5.17 0.00 3.60 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.83 4.31 0.00 0.38 1.13 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.23 0.00 2.31 2.17 0.00 4.00 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 35 Y 8.12 4.22 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.51 4.76 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.01 0.84 0.00 0.00 37 P 0.00 4.28 0.00 1.96 2.05 0.00 3.69 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 38 S 7.60 4.69 0.00 3.78 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 39 S 8.50 5.11 0.00 3.75 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 40 K 8.63 4.68 0.00 1.76 1.53 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.38 7.81 41 L 8.52 5.45 0.00 1.55 1.58 0.95 0.88 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 42 T 8.64 4.61 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 1.18 0.00 0.00 43 E 9.36 3.68 0.00 2.22 2.07 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 2.34 2.28 0.00 44 G 9.33 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 45 G 7.92 4.10 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 0.00 0.00 0.00 46 R 8.22 3.92 0.00 2.03 1.96 0.00 3.05 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 47 V 7.81 5.34 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 1.24 0.00 0.00 1.02 0.00 0.00 48 R 9.23 5.21 0.00 1.68 1.55 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.28 0.00 49 H 9.39 5.18 0.00 3.04 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.35 5.12 0.00 1.49 1.49 0.93 -0.65 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 51 A 8.42 5.20 1.13 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 52 N 8.12 4.41 0.00 1.97 2.61 0.00 0.00 6.84 7.45 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 53 P 0.00 4.05 0.00 2.00 2.13 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 54 D 8.05 4.55 0.00 2.60 2.63 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 55 G 8.24 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 0.00 0.00 0.00 56 D 8.52 4.44 0.00 2.71 2.42 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 57 T 8.04 4.91 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 1.19 0.00 0.00 58 I 8.81 4.55 1.86 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 0.84 0.86 1.04 0.00 0.00 59 I 8.97 4.93 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.48 0.84 0.00 0.00 60 E 9.18 5.24 0.00 2.10 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 61 R 9.46 5.24 0.00 1.93 1.90 0.00 3.17 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 62 L 8.83 4.11 0.00 0.27 1.16 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.58 4.60 0.00 2.08 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 2.55 2.46 0.00 64 V 7.68 4.65 2.30 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 1.10 0.00 0.00 1.04 0.00 0.00 65 F 8.66 5.14 0.00 3.04 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 66 N 7.82 4.41 0.00 2.12 1.60 0.00 0.00 6.51 8.04 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 67 D 8.63 4.07 0.00 3.13 2.72 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 68 K 8.01 3.71 0.00 1.66 1.73 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81 69 E 7.83 4.11 0.00 2.04 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 2.23 2.26 0.00 70 R 6.86 2.00 0.00 1.43 0.92 0.00 3.13 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.18 0.00 71 Y 6.93 5.87 0.00 3.06 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 72 Y 8.47 5.47 0.00 3.46 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 9.85 5.55 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 1.26 0.00 0.00 74 Y 9.17 5.63 0.00 3.68 3.58 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 75 S 9.43 5.44 0.00 4.02 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 76 I 8.56 4.68 2.08 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 1.05 0.00 0.00 *78 N 8.40 4.60 0.00 2.90 2.73 0.00 0.00 6.55 8.15 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 79 A 8.26 4.72 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.44 0.00 2.04 2.01 0.00 3.06 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 1.34 1.66 0.00 81 F 7.27 4.50 0.00 3.15 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 82 P 0.00 4.80 0.00 2.26 2.24 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 83 V 7.37 5.21 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 0.67 0.00 0.00 1.03 0.00 0.00 84 T 9.09 4.63 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 1.35 0.00 0.00 85 N 8.97 4.47 0.00 2.98 2.93 0.00 0.00 6.89 7.46 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 86 Y 8.05 4.54 0.00 3.11 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 87 L 8.44 4.80 0.00 1.50 1.21 0.87 0.53 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 88 S 8.32 4.83 0.00 3.42 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 89 T 8.68 5.15 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 1.15 0.00 0.00 90 I 8.29 4.91 1.05 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.17 0.25 0.00 0.00 91 Q 9.02 5.01 0.00 2.04 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 92 V 8.43 4.56 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 0.80 0.00 0.00 1.08 0.00 0.00 93 K 9.01 4.42 0.00 1.74 1.64 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.33 7.81 94 E 8.60 4.14 0.00 1.80 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 2.26 2.26 0.00 95 G 8.21 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 96 T 8.36 4.21 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 1.24 0.00 0.00 97 E 8.21 4.82 0.00 2.05 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 2.43 0.00 98 S 8.78 4.27 0.00 3.98 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 99 N 8.17 5.03 0.00 2.90 3.05 0.00 0.00 5.76 7.22 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 0.00 100 T 7.77 5.20 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 1.37 0.00 0.00 101 S 8.72 4.66 0.00 3.90 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 0.00 102 L 8.71 4.81 0.00 1.69 1.50 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.21 4.63 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.80 0.00 0.00 104 E 9.33 5.21 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 105 W 9.20 5.16 0.00 3.33 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 0.00 106 S 9.01 5.40 0.00 3.91 3.93 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 0.00 0.00 0.00 107 G 9.32 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 0.00 0.00 0.00 0.00 108 T 8.45 4.66 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 1.00 0.00 0.00 109 F 7.71 5.16 0.00 3.06 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 9.12 4.66 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 111 P 0.00 4.86 0.00 2.35 2.21 0.00 3.79 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 2.06 2.18 0.00 112 V 8.64 4.22 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 1.01 0.00 0.00 1.03 0.00 0.00 113 E 9.37 4.02 0.00 2.18 2.05 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 2.23 2.27 0.00 114 V 7.10 4.56 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 0.66 0.00 0.00 0.99 0.00 0.00 115 S 9.99 4.52 0.00 4.10 4.01 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 0.00 116 D 8.54 4.44 0.00 2.82 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 0.00 117 E 8.22 3.98 0.00 2.06 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 2.41 2.48 0.00 118 E 8.21 3.92 0.00 2.17 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 2.31 2.32 0.00 119 A 8.01 3.93 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 0.00 120 I 8.20 3.94 2.14 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 1.76 0.90 0.97 0.00 0.00 121 N 8.27 4.24 0.00 2.65 2.79 0.00 0.00 6.70 6.81 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 0.00 122 L 7.45 3.54 0.00 1.39 1.25 0.50 0.26 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 0.00 123 F 7.38 3.30 0.00 2.73 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 0.00 124 H 8.55 3.98 0.00 3.31 3.23 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.22 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.07 3.35 1.37 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 -0.01 0.62 0.00 0.00 127 Y 7.50 3.62 0.00 2.80 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 0.00 128 S 8.43 4.27 0.00 3.85 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 0.00 129 D 8.32 4.50 0.00 2.91 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 0.00 130 G 8.38 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 0.00 131 L 8.94 4.34 0.00 1.88 1.90 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.65 4.03 0.00 2.04 2.09 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.58 7.81 133 A 8.17 4.10 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.16 0.00 2.22 2.12 1.05 0.04 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 0.00 135 Q 8.40 4.10 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 136 Q 8.32 4.14 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 137 A 8.63 4.18 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 0.00 138 F 8.15 3.92 0.00 3.18 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.94 4.27 0.00 2.07 2.01 1.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 140 D 7.62 4.75 0.00 2.90 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.46 4.00 0.00 1.88 1.96 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.89 4.06 0.00 2.10 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 0.00 1.98 2.23 0.00 143 H 7.87 5.10 0.00 3.08 2.46 0.00 5.70 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 9.52 4.55 0.00 3.12 3.20 0.00 5.75 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 * Residues marked with a * may have inaccurate shift predictions.