NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.4973 8.4293 118.9375 56.0225 31.9560 174.7233 10 L 4.3393 8.5953 119.8634 54.8381 41.4307 175.7929 11 Q 4.5320 9.7539 120.8952 55.0345 32.2699 174.4720 12 E 5.8536 8.8320 122.9330 53.8165 32.7887 175.4928 13 K 4.4433 8.2285 123.2610 54.9754 35.9386 175.1658 14 L 4.1603 8.7145 129.6720 54.4395 40.3054 176.4151 15 I 3.8169 7.8740 125.0065 62.9950 37.8582 175.9865 16 A 4.8988 7.5784 120.2545 50.4491 22.9499 174.5811 17 V 5.5471 8.7614 120.7570 59.0595 34.0907 174.2062 18 N 5.2220 8.8756 121.7862 51.1018 41.4576 172.8204 19 R 4.4736 8.2223 119.0578 55.1324 32.6574 174.5089 20 V 4.4156 7.8679 120.1638 61.3740 35.1114 171.7822 21 S 5.1296 8.3492 114.2855 56.8341 65.0653 173.0204 22 K 4.2393 8.6540 122.4200 55.1721 34.0565 174.9697 23 T 3.5794 7.3728 105.4695 62.6480 68.3392 172.5402 24 V 4.4099 7.8634 123.0791 61.3383 30.1755 179.9443 25 K 4.3282 8.9303 129.4916 58.1972 33.1569 177.0994 26 G 3.9030 7.6787 107.1359 46.3645 0.0000 172.5026 27 G 4.0874 7.2029 104.8850 45.6083 0.0000 172.7959 28 R 4.8269 8.5711 117.1119 55.6813 31.3987 176.0344 29 I 4.5330 8.1000 118.5451 59.3285 40.4972 174.9400 30 F 4.4998 9.2526 123.1615 57.6462 37.5427 174.5044 31 S 4.8218 8.8548 121.8096 57.1916 66.5198 172.2663 32 F 5.1461 8.1550 118.4612 58.6094 42.1910 174.7184 33 T 4.3354 7.6296 110.3467 62.8317 71.4743 171.4571 34 A 4.9465 7.4755 121.8670 51.8009 22.6201 177.0718 35 L 4.8815 9.3299 124.6023 55.6903 43.8513 175.4622 36 T 4.4162 7.7509 111.8789 62.4193 70.5147 172.2103 37 V 5.4512 7.8503 123.3489 60.7980 35.7729 174.4685 38 V 5.3504 7.9250 125.8085 60.9990 34.0563 174.0871 39 G 4.7365 8.8545 115.3533 43.1155 0.0000 171.5340 40 D 4.5350 8.6409 118.9041 53.1314 40.1083 177.5661 41 G 4.4788 7.8343 103.5764 44.2107 0.0000 173.0546 42 N 5.0911 7.4257 130.4755 55.1648 39.7404 175.1221 43 G 4.3164 8.3042 101.5036 45.7838 0.0000 172.7673 44 R 5.8864 8.1442 118.2752 53.9518 34.4249 175.6525 45 V 4.4439 8.1630 114.0047 60.4972 35.4209 175.1122 46 G 3.8431 9.5394 115.2830 46.7018 0.0000 170.9251 47 F 5.1762 8.6665 129.3245 57.6554 40.1082 174.5978 48 G 4.1508 8.5999 110.4225 45.7647 0.0000 171.4412 49 Y 5.2983 8.4962 123.6717 55.8810 41.4711 174.3170 50 G 4.0719 8.8508 114.1726 44.0937 0.0000 171.2488 51 K 4.5404 8.3877 123.0362 54.5228 33.0463 174.9809 52 A 4.8118 8.4111 135.0000 51.8880 19.8710 177.1974 53 R 4.5481 8.6449 111.9717 57.9241 32.3351 177.4199 54 E 4.3989 7.6826 115.2174 55.7797 32.4361 175.6981 55 V 3.1425 7.9630 117.9046 65.0347 31.2060 176.0647 56 P 4.1418 0.0000 0.0000 66.5853 31.3091 177.4730 57 A 3.8268 7.8423 117.5000 55.1205 17.8204 179.0667 58 A 3.8732 8.3298 120.9243 55.8530 18.9590 179.0849 59 I 3.7246 8.4681 119.0533 63.0097 36.9172 178.8883 60 Q 3.7275 8.6054 120.1161 59.0238 29.8001 180.1847 61 K 4.2394 8.0902 121.0539 59.1584 32.3541 178.6245 62 A 3.9495 8.5817 122.5407 55.7159 18.2256 179.6712 63 M 4.0959 7.9862 116.1058 58.2388 31.8675 178.2087 64 E 3.9369 8.6212 120.3923 59.1140 29.7212 178.6247 65 K 4.0264 8.5095 117.6732 57.9757 31.9562 178.7911 66 A 4.2097 7.7076 121.9223 55.5996 18.4488 179.1524 67 R 3.7307 7.4358 113.8866 59.8301 30.7258 177.0915 68 R 3.7467 7.7807 117.0147 58.1713 31.1181 176.1988 69 N 4.0838 8.5114 118.5780 54.9459 36.8348 172.9282 70 M 4.6575 7.3821 118.5421 55.3647 35.1578 175.1653 71 I 4.3427 7.8313 116.7487 60.9842 41.5663 174.4817 72 N 5.2041 8.9010 127.6372 53.1136 39.2598 174.8668 73 V 4.5022 8.2156 121.3351 59.7230 34.9575 175.8953 74 A 4.0801 8.7783 125.7186 52.2780 16.7682 176.6101 75 L 4.4166 7.8681 121.1912 53.1610 41.6063 176.0543 76 N 4.3278 8.4006 122.0394 53.9683 37.9401 174.5816 77 N 3.9145 8.5960 125.0071 54.1129 39.6375 173.3862 78 G 3.8623 9.5082 103.3428 48.8524 0.0000 174.4231 79 T 4.4864 7.0913 108.4559 61.0475 69.4092 172.8012 80 L 4.6887 7.4508 121.5168 53.6019 44.3203 177.7398 81 Q 4.2613 8.5374 121.6923 56.5958 28.7308 176.1105 82 H 4.2457 6.8965 111.2231 54.8462 33.2279 171.0664 83 P 4.3345 0.0000 0.0000 63.7233 31.5085 175.9624 84 V 4.3709 7.7612 125.6073 59.5698 33.7534 174.8911 85 K 4.9319 8.2708 123.8852 53.5280 34.8089 175.5845 86 G 4.4290 8.7334 111.4856 44.6415 0.0000 171.1056 87 V 5.0691 8.3963 117.9950 60.0232 35.1849 173.0357 88 H 5.1528 9.1567 130.8442 55.1646 29.8617 172.9212 89 T 3.2563 7.3468 117.9868 61.9370 67.5745 173.7590 90 G 3.8872 8.4357 106.7490 45.9947 0.0000 173.0294 91 S 5.4781 8.9963 115.8975 55.2900 65.3811 173.2715 92 R 4.8122 7.9895 118.5689 54.5836 33.2418 173.8039 93 V 4.6945 8.4623 116.9784 61.8177 36.0596 173.6998 94 F 5.0851 8.7007 124.9476 56.7179 40.2508 173.8509 95 M 4.6345 8.5047 125.4085 53.6573 33.9097 174.6158 96 Q 5.2663 7.9700 124.3877 55.0080 31.7544 170.8378 97 P 4.6556 0.0000 0.0000 62.8694 32.4928 175.7412 98 A 4.9143 8.1570 124.2527 50.8625 21.3126 176.2082 99 S 4.4674 8.4273 109.2082 58.0830 64.4605 174.5025 100 E 4.3581 8.5559 120.5260 55.3634 28.0210 176.7844 101 G 4.0579 7.8658 112.5185 46.1341 0.0000 173.8806 102 T 3.3426 7.1064 106.5561 62.3201 69.0559 172.2320 103 G 4.2772 8.2097 108.9367 42.8574 0.0000 172.7460 104 I 3.8115 8.2348 123.4562 61.9206 38.3131 175.4184 105 I 4.3788 8.8808 132.3705 59.6234 37.0859 174.6533 106 A 4.7642 7.5277 126.8008 51.0750 22.0077 178.2127 107 G 4.2094 8.9135 105.1039 45.7772 0.0000 174.9817 108 G 3.8992 8.8019 105.9954 46.6023 0.0000 174.6533 109 A 4.1726 7.7584 123.4188 54.7978 18.5379 179.2020 110 M 4.0066 8.1455 115.4201 57.7910 32.3007 178.4112 111 R 4.2085 7.9764 116.3458 58.4126 30.2619 178.2025 112 A 3.9638 7.9459 123.0513 54.8029 18.4004 179.7261 113 V 4.0901 7.8021 103.6043 62.1728 31.5470 176.3210 114 L 4.5271 7.6639 120.3954 56.4274 43.7627 177.9122 115 E 4.0271 8.1538 118.0940 59.9933 29.8067 179.3286 116 V 3.7752 8.6495 111.8119 63.3113 32.1481 177.2677 117 A 4.6557 7.8406 123.6744 51.7516 19.0090 179.4311 118 G 3.9385 7.6769 107.3544 47.5684 0.0000 174.6623 119 V 5.0488 7.7066 113.1849 59.8403 32.8236 176.0300 120 H 5.0307 8.2431 121.0311 54.7328 29.5822 173.2070 121 N 5.1305 8.2903 113.9745 54.4090 40.4712 174.3762 122 V 4.9137 8.0034 109.9589 59.5191 36.4284 174.5241 123 L 5.2708 8.1751 121.4430 53.0565 43.9261 176.3032 124 A 5.3704 9.6494 124.8739 50.4936 23.1194 175.8817 125 K 4.3200 9.0004 121.1665 55.5574 34.9935 176.1578 126 A 5.2578 7.9647 120.1288 51.1573 17.5936 176.2525 127 Y 4.1647 8.2392 121.1926 57.6084 40.5119 174.1543 128 G 3.5761 8.8300 116.2624 45.9364 0.0000 171.4756 129 S 3.7778 8.3306 117.1109 59.3978 60.0584 172.0597 130 T 4.1827 7.7033 126.2999 63.0055 68.8348 176.3740 131 N 4.3756 8.1688 121.3783 52.8538 39.5157 171.8304 132 P 4.1446 0.0000 0.0000 66.4176 30.9383 177.5288 133 I 3.5082 7.7269 117.3108 63.6464 37.5395 176.8674 134 N 4.4602 7.9372 116.4059 56.4855 38.4105 176.4043 135 V 3.4956 8.0844 119.0209 65.8589 31.2026 177.9921 136 V 3.7321 7.9906 112.8925 64.2136 31.8730 178.7286 137 R 3.3690 7.5423 117.1018 58.3203 29.5640 177.8660 138 A 4.7676 9.5845 120.8940 53.6280 19.4564 178.7169 139 T 3.8290 7.9668 108.1123 65.3321 68.6615 176.3462 140 I 3.5641 7.6416 122.2936 63.9899 36.9947 177.4540 141 D 4.6325 7.8775 116.3315 54.7551 40.9903 177.4724 142 G 4.1181 8.1233 107.5112 45.1794 0.0000 173.2729 143 L 4.4487 8.1614 124.1263 53.1006 41.3113 176.5461 144 E 5.9119 7.3950 126.7837 57.3408 29.6890 178.0337 145 N 4.3622 7.7395 117.1927 55.5408 38.9159 174.2950 146 M 4.2744 7.7847 118.2029 55.6306 32.8420 175.1611 147 N 5.2368 8.5329 125.7938 52.1096 41.1033 172.5974 148 S 5.7627 8.0081 113.0894 55.6723 65.8035 170.8911 149 P 4.2404 0.0000 0.0000 63.7310 31.5208 178.4572 150 E 3.8710 8.5559 118.1290 60.6253 29.4794 179.4360 151 M 4.0170 7.6461 119.2854 58.0224 31.8184 179.0344 152 V 3.4065 8.5512 118.8068 65.9929 31.7836 177.7293 153 A 3.6405 8.0739 120.3452 55.3780 17.8207 179.4172 154 A 3.9262 7.3512 118.1551 55.0931 18.4644 179.4560 155 K 4.3056 8.6613 116.6455 57.5628 33.2734 177.9063 156 R 4.3994 8.5507 119.2882 53.7796 29.8849 174.1808 157 G 3.9510 9.4461 115.5648 42.4440 0.0000 172.5822 158 K 3.5523 8.4959 127.2633 57.8333 32.3571 174.9373 *159 S 4.2830 8.0644 118.7637 58.3564 62.9091 175.9070 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 9 E 8.43 4.50 0.00 1.99 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 2.18 2.32 0.00 10 L 8.60 4.34 0.00 1.73 1.72 0.92 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.75 4.53 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 12 E 8.83 5.85 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 13 K 8.23 4.44 0.00 1.76 1.61 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.39 7.81 14 L 8.71 4.16 0.00 1.67 1.63 0.96 1.13 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 15 I 7.87 3.82 1.93 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 1.38 0.97 0.94 0.00 0.00 16 A 7.58 4.90 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.76 5.55 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.17 0.00 0.00 18 N 8.88 5.22 0.00 2.76 2.99 0.00 0.00 5.73 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 19 R 8.22 4.47 0.00 1.23 1.65 0.00 3.13 0.00 0.00 2.75 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.44 0.00 20 V 7.87 4.42 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 0.55 0.00 0.00 0.93 0.00 0.00 21 S 8.35 5.13 0.00 3.85 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 22 K 8.65 4.24 0.00 1.70 1.75 0.00 1.97 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.37 7.81 23 T 7.37 3.58 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 24 V 7.86 4.41 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 0.72 0.00 0.00 0.99 0.00 0.00 25 K 8.93 4.33 0.00 1.86 1.93 0.00 1.52 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.42 7.81 26 G 7.68 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 0.00 0.00 0.00 27 G 7.20 4.09 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 0.00 0.00 0.00 28 R 8.57 4.83 0.00 1.85 2.01 0.00 3.00 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 29 I 8.10 4.53 1.83 0.00 0.00 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 1.40 1.20 0.85 0.00 0.00 30 F 9.25 4.50 0.00 2.97 3.02 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 31 S 8.85 4.82 0.00 3.74 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 32 F 8.15 5.15 0.00 3.10 3.02 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 33 T 7.63 4.34 4.50 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 1.04 0.00 0.00 34 A 7.48 4.95 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 35 L 9.33 4.88 0.00 1.60 1.71 1.01 0.90 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 36 T 7.75 4.42 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 1.32 0.00 0.00 37 V 7.85 5.45 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 1.12 0.00 0.00 0.98 0.00 0.00 38 V 7.92 5.35 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 1.10 0.00 0.00 1.00 0.00 0.00 39 G 8.85 4.74 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 0.00 0.00 0.00 40 D 8.64 4.53 0.00 2.80 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 41 G 7.83 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 0.00 0.00 0.00 0.00 42 N 7.43 5.09 0.00 2.75 2.86 0.00 0.00 7.02 7.98 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 43 G 8.30 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 0.00 0.00 0.00 44 R 8.14 5.89 0.00 1.74 1.80 0.00 3.55 0.00 0.00 3.46 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 45 V 8.16 4.44 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 0.62 0.00 0.00 0.95 0.00 0.00 46 G 9.54 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 0.00 0.00 0.00 47 F 8.67 5.18 0.00 2.98 3.02 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 48 G 8.60 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.50 5.30 0.00 3.00 2.94 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 50 G 8.85 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.39 4.54 0.00 1.47 1.53 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.53 7.81 52 A 8.41 4.81 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 53 R 8.64 4.55 0.00 1.70 1.85 0.00 2.95 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.46 0.00 54 E 7.68 4.40 0.00 2.17 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 2.27 2.26 0.00 55 V 7.96 3.14 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 0.93 0.00 0.00 -0.04 0.00 0.00 56 P 0.00 4.14 0.00 2.14 2.07 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 57 A 7.84 3.83 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.33 3.87 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.47 3.72 2.09 0.00 0.00 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 1.41 0.90 0.92 0.00 0.00 60 Q 8.61 3.73 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 61 K 8.09 4.24 0.00 1.97 2.01 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.25 7.81 62 A 8.58 3.95 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 0.00 0.00 0.00 0.00 0.00 63 M 7.99 4.10 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 64 E 8.62 3.94 0.00 2.04 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 2.27 2.32 0.00 65 K 8.51 4.03 0.00 1.57 1.74 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.66 7.81 66 A 7.71 4.21 1.38 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 67 R 7.44 3.73 0.00 1.81 1.97 0.00 3.18 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 68 R 7.78 3.75 0.00 1.81 1.85 0.00 3.31 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 69 N 8.51 4.08 0.00 2.75 2.72 0.00 0.00 7.07 7.65 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 70 M 7.38 4.66 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.77 0.00 71 I 7.83 4.34 1.91 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 1.36 1.11 0.93 0.00 0.00 72 N 8.90 5.20 0.00 2.65 2.73 0.00 0.00 6.84 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.22 4.50 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 0.70 0.00 0.00 0.98 0.00 0.00 74 A 8.78 4.08 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 75 L 7.87 4.42 0.00 1.60 1.60 1.00 1.11 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 76 N 8.40 4.33 0.00 2.71 2.73 0.00 0.00 6.93 6.71 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 77 N 8.60 3.91 0.00 2.80 2.82 0.00 0.00 7.18 7.98 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 78 G 9.51 3.86 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 0.00 79 T 7.09 4.49 4.22 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 0.00 0.00 0.00 1.32 0.00 0.00 80 L 7.45 4.69 0.00 1.62 1.55 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.54 4.26 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 82 H 6.90 4.25 0.00 3.42 3.51 0.00 5.27 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 83 P 0.00 4.33 0.00 2.15 2.17 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 2.07 2.02 0.00 84 V 7.76 4.37 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 0.73 0.00 0.00 0.91 0.00 0.00 85 K 8.27 4.93 0.00 1.73 1.91 0.00 1.92 0.00 0.00 2.61 0.00 0.00 3.12 0.00 0.00 3.53 0.00 0.00 0.00 0.00 1.82 1.51 7.81 86 G 8.73 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 0.00 0.00 0.00 0.00 87 V 8.40 5.07 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 0.88 0.00 0.00 0.96 0.00 0.00 88 H 9.16 5.15 0.00 3.19 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.35 3.26 4.16 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 1.27 0.00 0.00 90 G 8.44 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 0.00 0.00 0.00 91 S 9.00 5.48 0.00 3.88 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 92 R 7.99 4.81 0.00 1.84 1.77 0.00 2.88 0.00 0.00 2.53 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.94 0.00 93 V 8.46 4.69 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 1.05 0.00 0.00 0.95 0.00 0.00 94 F 8.70 5.09 0.00 3.17 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 95 M 8.50 4.63 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 96 Q 7.97 5.27 0.00 1.66 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.05 0.00 0.00 0.00 0.00 0.00 2.11 1.85 0.00 97 P 0.00 4.66 0.00 2.10 2.31 0.00 3.68 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 1.97 1.96 0.00 98 A 8.16 4.91 1.26 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 0.00 0.00 0.00 99 S 8.43 4.47 0.00 3.99 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 0.00 100 E 8.56 4.36 0.00 1.98 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 2.32 2.25 0.00 101 G 7.87 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 0.00 102 T 7.11 3.34 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 1.24 0.00 0.00 103 G 8.21 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.23 3.81 1.89 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 1.35 1.13 0.94 0.00 0.00 105 I 8.88 4.38 1.89 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 1.18 0.84 0.93 0.00 0.00 106 A 7.53 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.91 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 0.00 108 G 8.80 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 0.00 0.00 0.00 109 A 7.76 4.17 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 M 8.15 4.01 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 111 R 7.98 4.21 0.00 2.06 2.30 0.00 2.81 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 112 A 7.95 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.80 4.09 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 0.76 0.00 0.00 0.92 0.00 0.00 114 L 7.66 4.53 0.00 1.86 1.62 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.15 4.03 0.00 2.13 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 2.37 2.44 0.00 116 V 8.65 3.78 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 0.82 0.00 0.00 1.03 0.00 0.00 117 A 7.84 4.66 1.30 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 0.00 0.00 0.00 118 G 7.68 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 0.00 119 V 7.71 5.05 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 0.73 0.00 0.00 0.93 0.00 0.00 120 H 8.24 5.03 0.00 3.17 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.29 5.13 0.00 2.79 2.77 0.00 0.00 6.76 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.00 4.91 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 0.69 0.00 0.00 0.89 0.00 0.00 123 L 8.18 5.27 0.00 1.64 1.58 1.00 1.18 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 0.00 124 A 9.65 5.37 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 0.00 125 K 9.00 4.32 0.00 1.89 1.98 0.00 0.61 0.00 0.00 1.63 0.00 0.00 2.58 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.59 1.79 7.81 126 A 7.96 5.26 1.27 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 0.00 0.00 0.00 127 Y 8.24 4.16 0.00 3.06 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 0.00 128 G 8.83 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 0.00 0.00 0.00 129 S 8.33 3.78 0.00 3.90 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 0.00 130 T 7.70 4.18 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 0.00 131 N 8.17 4.38 0.00 2.73 2.69 0.00 0.00 6.97 7.84 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 0.00 132 P 0.00 4.14 0.00 2.27 2.33 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 133 I 7.73 3.51 1.68 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.83 0.00 0.00 134 N 7.94 4.46 0.00 2.87 2.80 0.00 0.00 6.76 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.08 3.50 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 1.01 0.00 0.00 0.95 0.00 0.00 136 V 7.99 3.73 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 1.00 0.00 0.00 0.78 0.00 0.00 137 R 7.54 3.37 0.00 1.62 1.84 0.00 2.74 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.09 0.00 138 A 9.58 4.77 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 0.00 139 T 7.97 3.83 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 1.19 0.00 0.00 140 I 7.64 3.56 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 0.90 0.00 0.00 141 D 7.88 4.63 0.00 2.81 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 0.00 142 G 8.12 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.16 4.45 0.00 1.63 1.79 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 144 E 7.40 5.91 0.00 2.14 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 2.03 1.96 0.00 145 N 7.74 4.36 0.00 2.71 2.89 0.00 0.00 7.15 7.32 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 0.00 146 M 7.78 4.27 0.00 2.10 1.83 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 2.00 2.45 0.00 147 N 8.53 5.24 0.00 2.75 2.79 0.00 0.00 6.93 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 0.00 148 S 8.01 5.76 0.00 4.03 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 0.00 149 P 0.00 4.24 0.00 2.20 1.95 0.00 3.64 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 150 E 8.56 3.87 0.00 2.15 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 0.00 2.38 2.40 0.00 151 M 7.65 4.02 0.00 2.15 2.19 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 2.63 2.58 0.00 152 V 8.55 3.41 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 1.00 0.00 0.00 1.07 0.00 0.00 153 A 8.07 3.64 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 0.00 154 A 7.35 3.93 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 0.00 155 K 8.66 4.31 0.00 1.76 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.47 7.81 156 R 8.55 4.40 0.00 1.87 1.89 0.00 3.31 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 157 G 9.45 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 0.00 158 K 8.50 3.55 0.00 1.96 1.70 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.36 7.81 *159 S 8.06 4.28 0.00 3.64 3.66 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.