NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4930 8.2116 122.9395 51.3585 19.9770 176.0647 3 D 4.1571 8.5472 118.8436 54.4968 41.0997 176.0108 4 K 4.2902 9.6037 126.8079 58.0170 33.0494 176.7636 5 E 4.5952 7.7994 116.4219 55.5165 30.0831 175.9817 6 L 3.9463 7.9570 121.8593 55.5730 42.6723 175.9093 7 K 4.7982 8.6186 126.7749 55.5846 33.6618 175.1007 8 F 5.3875 9.5779 126.3964 55.8445 42.2451 174.3977 9 L 5.1229 8.6149 122.9610 53.3255 45.0351 175.1001 10 V 4.8814 9.0597 126.6228 61.1353 34.0282 174.2214 11 V 4.9458 8.3595 127.8801 60.3316 34.3706 173.6879 12 D 4.7389 8.2837 124.0002 53.9083 44.2304 175.5652 13 D 4.7546 8.8538 121.6644 52.7218 40.3307 176.4810 14 F 4.8015 8.5581 120.5177 55.3106 41.8487 175.6362 15 S 4.2037 8.9712 119.5645 61.9932 62.5926 176.5522 16 T 3.8754 8.1105 118.6226 66.8493 68.1689 175.9444 17 M 4.1168 8.0869 119.2737 58.6892 32.3525 178.1114 18 R 3.9654 7.9436 117.8200 59.4047 30.2378 179.0128 19 R 3.9048 8.8122 118.8370 59.4022 29.9903 178.6471 20 I 3.6941 7.7923 119.6483 64.2785 37.0616 178.5269 21 V 3.6589 8.0643 119.1471 65.9949 31.4312 177.7764 22 R 3.8644 8.1727 118.4830 59.6976 29.9401 178.0360 23 N 4.3207 8.2657 115.9835 56.3472 38.6161 177.1478 24 L 3.9936 8.2101 120.5780 58.0836 41.7318 179.6511 25 L 3.9805 8.2673 119.0097 57.5299 41.3931 179.4230 26 K 3.9726 8.0192 119.4942 59.6935 31.9223 178.3967 27 E 3.9156 7.8899 117.2567 59.6802 29.5525 179.2591 28 L 4.1748 7.5604 116.6234 55.6308 41.6997 177.9894 29 G 3.7502 7.6820 107.5039 44.9642 0.0000 173.2449 30 F 4.7869 8.0577 119.0137 55.8681 39.6584 175.2233 31 N 4.7639 8.7364 122.7181 53.5195 40.0802 175.2454 32 N 4.7849 8.0159 117.7847 52.5456 38.4689 172.5004 33 V 5.0945 8.0385 122.0587 60.8622 34.9907 173.6058 34 E 5.0220 9.6657 126.3142 54.6642 33.6682 174.4567 35 E 5.3513 8.7786 118.9441 54.8305 33.0480 175.3763 36 A 4.9991 9.0645 123.0833 50.4918 23.3153 176.5628 37 E 4.8709 9.3473 116.0073 54.9421 30.5477 175.1407 38 D 4.4269 7.4167 119.1144 51.9164 42.6453 176.7486 39 G 3.6294 8.1422 106.0797 48.1198 0.0000 175.6860 40 V 3.5030 7.7640 120.6424 65.7459 31.5590 177.1558 41 D 4.2980 9.0564 117.6101 57.3990 40.8591 178.3907 42 A 3.8514 8.1889 121.1843 55.1890 18.3915 179.5704 43 L 3.8675 8.3238 117.8892 57.9048 41.4067 179.5600 44 N 4.3100 8.0320 115.5098 56.3885 38.8552 177.2896 45 K 4.2118 7.8387 119.3516 59.5080 32.0344 179.4529 46 L 4.1585 8.1800 119.5764 57.8180 41.2541 179.3386 47 Q 3.9606 8.1232 118.7287 58.8204 29.0669 177.5343 48 A 4.2133 8.0233 120.0279 51.5050 18.5786 177.3999 49 G 3.8824 8.5623 109.0844 44.8132 0.0000 173.1492 50 G 3.9374 8.7648 106.1553 45.6504 0.0000 174.3988 51 Y 4.2788 7.5916 116.6562 58.2269 38.2595 175.8071 52 G 4.1645 8.8536 109.7742 45.8691 0.0000 172.3394 53 F 4.4975 7.5987 120.9558 57.0207 42.9314 172.6904 54 V 4.8552 7.9949 123.0047 61.2692 35.2382 173.9922 55 I 5.0057 8.8178 127.5168 59.9981 40.4422 174.6306 56 S 4.6240 8.9811 121.2078 56.9190 65.5393 172.5026 *58 W 4.8847 8.8341 126.0528 57.7358 32.3012 175.9504 59 N 4.9318 8.4003 122.6857 53.7934 38.3092 174.1110 60 M 4.9240 8.1992 124.1898 53.3412 36.0630 173.1625 61 P 4.4371 0.0000 0.0000 63.6267 32.4412 175.3430 62 N 4.6591 9.7298 119.5627 53.3322 36.7762 174.9205 63 M 4.4683 7.2480 117.0149 53.3241 34.9800 174.1748 64 D 5.1749 8.6096 126.9574 52.6008 42.2457 177.2420 65 G 3.4108 9.1153 106.7583 47.4143 0.0000 175.7913 66 L 3.2591 6.7576 121.9382 57.8836 42.0796 178.4514 67 E 3.8338 8.1872 118.4864 59.3797 29.4072 179.2231 68 L 3.8056 7.6933 119.9430 58.0186 42.1959 178.4439 69 L 3.7815 7.6920 120.1269 58.3863 42.0761 179.1012 70 K 3.8872 8.2236 118.4120 59.7968 31.7095 179.5197 71 T 3.8439 8.1620 116.2415 66.7201 67.9730 176.8925 72 I 3.6771 8.1258 122.1309 64.4256 36.8636 178.7163 73 R 4.2025 8.1783 119.0225 58.0041 30.0102 178.2192 74 A 4.3825 7.6781 118.7669 52.3406 19.0231 176.6097 75 D 4.5256 7.5648 118.2662 52.6878 41.1341 176.9655 76 G 4.0556 8.8579 116.8705 48.6040 0.0000 173.2024 77 A 4.3155 8.9061 120.8633 53.4721 18.9895 177.5517 78 M 4.7996 8.5327 113.2867 54.4807 34.8168 177.8051 79 S 3.7652 7.8834 113.2227 61.1801 63.4728 175.5200 80 A 4.5510 7.6550 120.5265 51.0419 19.5868 176.0353 81 L 3.8590 8.4438 120.0324 55.0240 42.4989 175.4372 82 P 4.1311 0.0000 0.0000 62.6553 32.8551 175.6357 83 V 4.3541 8.6452 123.2201 61.2353 34.8450 173.5799 84 L 4.8536 9.1942 131.6619 53.6817 43.9175 175.1457 85 M 4.6060 8.5882 126.9613 55.0164 33.3966 175.7536 86 V 4.4963 9.1143 124.1982 61.3332 33.3400 174.0635 87 T 4.8380 8.6276 121.2436 60.3153 71.1395 174.0376 88 A 4.1335 8.7161 126.2288 53.1957 19.1968 177.6033 89 E 3.9185 8.3344 116.3364 56.5273 29.1632 176.5670 90 A 4.7532 8.3291 125.3405 51.3921 20.4862 176.1610 91 K 4.1477 7.6859 116.6507 56.0400 32.9199 178.3643 92 K 3.9182 8.6089 121.6921 59.6454 31.8173 179.5471 93 E 3.9679 8.0937 118.3989 59.1431 29.3613 178.6761 94 N 4.5700 7.9703 116.5364 55.7660 38.7253 177.6315 95 I 3.1345 7.4519 120.9201 64.0237 37.1086 178.2181 96 I 3.6138 7.8886 120.5147 64.3782 36.9204 178.2237 97 A 3.9983 7.8929 120.9879 55.2176 18.1942 179.6017 98 A 3.8847 8.4838 118.9882 55.1668 18.4618 179.7069 99 A 3.9431 8.5088 119.6580 55.5908 18.3043 179.8622 100 Q 3.9358 8.5864 115.6706 58.9617 28.8908 178.4545 101 A 4.2206 7.8737 118.8907 52.9051 18.3419 178.0070 102 G 3.8565 8.1745 106.2258 44.6624 0.0000 174.0698 103 A 3.9980 7.7480 122.5614 52.7976 18.6749 178.6609 104 S 4.2676 8.7146 118.8148 61.0065 63.7354 174.2054 105 G 4.1040 7.7307 105.0271 46.1844 0.0000 171.8450 106 Y 5.2087 8.5247 120.6443 56.2177 41.8060 173.9440 107 V 4.5389 8.9290 126.6428 61.1574 34.8375 174.3111 108 V 4.9234 8.4267 120.2937 59.9261 33.1938 175.7137 109 K 4.7824 9.1946 125.6005 55.1531 32.9349 175.4511 110 P 4.6763 0.0000 0.0000 62.5013 32.3567 175.2828 111 F 4.9985 7.7141 113.0151 54.6173 40.9348 174.6996 112 T 4.3479 8.3060 112.3369 60.4348 71.6069 175.6891 113 A 4.0309 8.3746 122.5253 55.1600 18.3892 179.6337 114 A 3.9540 8.0040 118.7285 55.7253 18.5517 179.5871 115 T 3.8633 8.1606 114.3425 66.8070 68.5001 176.2763 116 L 3.8884 7.8196 122.0319 58.3129 42.1035 178.4117 117 E 3.9449 8.0161 118.8839 59.3921 29.4898 178.4515 118 E 3.9403 8.2739 119.0548 59.3626 29.7127 179.0606 119 K 3.9941 8.1722 118.4508 59.2803 32.0568 179.3510 120 L 3.6618 8.1458 119.6397 57.9302 41.4692 179.4747 121 N 4.6947 8.3345 116.3447 55.9590 38.4051 177.5014 122 K 3.9707 7.9081 121.3493 59.5942 32.4542 179.0056 123 I 3.7595 7.8502 120.1518 64.2724 36.9323 178.3549 124 F 4.5907 8.2935 119.1260 60.8294 38.8805 177.1820 125 E 3.9955 8.7265 119.1979 59.3317 29.1689 178.6371 126 K 4.1496 7.9262 117.7210 58.2017 32.4442 177.7150 127 L 4.5098 7.6937 116.6079 53.3041 42.5928 176.1131 128 G 3.9194 7.6011 106.2000 46.9534 0.0000 173.9814 129 M 4.1956 8.3762 123.7160 55.1814 32.1661 176.6730 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 2 A 8.21 4.49 0.34 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 3 D 8.55 4.16 0.00 2.86 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 4 K 9.60 4.29 0.00 1.74 1.86 0.00 1.10 0.00 0.00 1.07 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.23 7.81 5 E 7.80 4.60 0.00 2.21 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 2.29 2.38 0.00 6 L 7.96 3.95 0.00 1.82 1.77 0.91 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.62 4.80 0.00 1.81 1.67 0.00 1.42 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.31 1.41 7.81 8 F 9.58 5.39 0.00 3.06 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 9 L 8.61 5.12 0.00 0.82 1.23 0.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.06 4.88 2.24 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 1.03 0.00 0.00 1.03 0.00 0.00 11 V 8.36 4.95 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 1.16 0.00 0.00 0.86 0.00 0.00 12 D 8.28 4.74 0.00 2.76 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 0.00 0.00 0.00 13 D 8.85 4.75 0.00 2.42 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 14 F 8.56 4.80 0.00 3.26 2.99 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 15 S 8.97 4.20 0.00 4.09 4.18 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 16 T 8.11 3.88 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 1.21 0.00 0.00 17 M 8.09 4.12 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.95 0.00 18 R 7.94 3.97 0.00 2.12 2.11 0.00 3.20 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 19 R 8.81 3.90 0.00 2.06 2.03 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 20 I 7.79 3.69 2.03 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 0.81 0.00 0.00 21 V 8.06 3.66 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 1.10 0.00 0.00 1.12 0.00 0.00 22 R 8.17 3.86 0.00 1.94 2.13 0.00 3.18 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 23 N 8.27 4.32 0.00 2.94 2.85 0.00 0.00 7.11 6.33 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 24 L 8.21 3.99 0.00 1.95 1.78 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.27 3.98 0.00 1.72 1.53 0.57 0.06 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 26 K 8.02 3.97 0.00 1.83 1.96 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.67 7.81 27 E 7.89 3.92 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 2.34 2.51 0.00 28 L 7.56 4.17 0.00 1.88 1.78 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.68 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 30 F 8.06 4.79 0.00 2.85 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 31 N 8.74 4.76 0.00 2.72 2.87 0.00 0.00 7.12 8.00 0.00 0.00 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 N 8.02 4.78 0.00 2.95 3.07 0.00 0.00 6.59 7.71 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 33 V 8.04 5.09 2.15 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 0.95 0.00 0.00 0.99 0.00 0.00 34 E 9.67 5.02 0.00 2.16 1.95 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 2.43 2.70 0.00 35 E 8.78 5.35 0.00 1.83 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 0.00 2.23 2.32 0.00 36 A 9.06 5.00 1.15 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 37 E 9.35 4.87 0.00 2.05 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 2.32 2.12 0.00 38 D 7.42 4.43 0.00 3.02 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.14 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.76 3.50 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 1.00 0.00 0.00 0.91 0.00 0.00 41 D 9.06 4.30 0.00 2.79 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 42 A 8.19 3.85 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 43 L 8.32 3.87 0.00 1.73 1.70 0.87 0.66 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 44 N 8.03 4.31 0.00 2.84 2.88 0.00 0.00 7.09 7.18 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 45 K 7.84 4.21 0.00 1.81 1.90 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.63 7.81 46 L 8.18 4.16 0.00 1.78 1.72 0.82 0.97 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 47 Q 8.12 3.96 0.00 2.14 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 48 A 8.02 4.21 1.48 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 49 G 8.56 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 50 G 8.76 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 51 Y 7.59 4.28 0.00 3.04 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 52 G 8.85 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 0.00 0.00 0.00 0.00 53 F 7.60 4.50 0.00 2.43 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 54 V 7.99 4.86 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 0.85 0.00 0.00 0.81 0.00 0.00 55 I 8.82 5.01 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.93 0.00 0.00 56 S 8.98 4.62 0.00 3.73 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.83 4.88 0.00 3.56 2.97 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 59 N 8.40 4.93 0.00 2.79 2.86 0.00 0.00 6.76 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 60 M 8.20 4.92 0.00 1.97 1.90 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 2.56 2.74 0.00 61 P 0.00 4.44 0.00 2.15 2.05 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 62 N 9.73 4.66 0.00 2.97 3.03 0.00 0.00 6.62 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 63 M 7.25 4.47 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 64 D 8.61 5.17 0.00 3.39 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 65 G 9.12 3.41 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 66 L 6.76 3.26 0.00 0.56 1.26 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.19 3.83 0.00 2.11 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 2.27 2.44 0.00 68 L 7.69 3.81 0.00 1.67 1.70 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.69 3.78 0.00 1.72 1.74 0.82 0.49 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 70 K 8.22 3.89 0.00 1.86 1.79 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.52 7.81 71 T 8.16 3.84 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 72 I 8.13 3.68 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.03 0.83 0.00 0.00 73 R 8.18 4.20 0.00 1.74 1.94 0.00 3.23 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 74 A 7.68 4.38 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 75 D 7.56 4.53 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.86 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.91 4.32 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 78 M 8.53 4.80 0.00 1.93 1.98 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 2.49 2.44 0.00 79 S 7.88 3.77 0.00 4.02 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.66 4.55 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 81 L 8.44 3.86 0.00 1.57 1.61 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.13 0.00 0.78 1.32 0.00 3.37 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 83 V 8.65 4.35 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 0.82 0.00 0.00 0.81 0.00 0.00 84 L 9.19 4.85 0.00 1.91 1.89 0.90 1.10 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 85 M 8.59 4.61 0.00 1.63 1.60 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 2.62 2.60 0.00 86 V 9.11 4.50 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 0.38 0.00 0.00 0.68 0.00 0.00 87 T 8.63 4.84 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 0.97 0.00 0.00 88 A 8.72 4.13 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 89 E 8.33 3.92 0.00 1.83 1.63 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 2.05 1.47 0.00 90 A 8.33 4.75 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 91 K 7.69 4.15 0.00 1.74 1.68 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.39 7.81 92 K 8.61 3.92 0.00 1.72 1.81 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.45 7.81 93 E 8.09 3.97 0.00 1.94 1.99 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 2.38 2.33 0.00 94 N 7.97 4.57 0.00 2.71 2.32 0.00 0.00 6.90 7.43 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 95 I 7.45 3.13 1.77 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.38 0.52 0.00 0.00 96 I 7.89 3.61 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.08 0.91 0.00 0.00 97 A 7.89 4.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.48 3.88 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 3.94 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 0.00 100 Q 8.59 3.94 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 101 A 7.87 4.22 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 0.00 102 G 8.17 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 0.00 103 A 7.75 4.00 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 0.00 104 S 8.71 4.27 0.00 3.74 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 0.00 105 G 7.73 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 0.00 106 Y 8.52 5.21 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.93 4.54 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 0.60 0.00 0.00 0.83 0.00 0.00 108 V 8.43 4.92 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 0.99 0.00 0.00 1.02 0.00 0.00 109 K 9.19 4.78 0.00 1.69 1.86 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.18 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.78 1.52 7.81 110 P 0.00 4.68 0.00 2.14 2.03 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 111 F 7.71 5.00 0.00 3.13 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 0.00 112 T 8.31 4.35 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 1.23 0.00 0.00 113 A 8.37 4.03 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 0.00 114 A 8.00 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.16 3.86 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 1.28 0.00 0.00 116 L 7.82 3.89 0.00 1.93 1.93 0.77 0.96 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 0.00 117 E 8.02 3.94 0.00 2.09 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 2.37 2.42 0.00 118 E 8.27 3.94 0.00 2.34 2.15 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 2.33 2.39 0.00 119 K 8.17 3.99 0.00 1.90 1.82 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.77 1.61 7.81 120 L 8.15 3.66 0.00 1.67 1.15 0.80 0.11 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 0.00 121 N 8.33 4.69 0.00 2.93 3.01 0.00 0.00 6.72 8.00 0.00 0.00 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 K 7.91 3.97 0.00 1.99 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 123 I 7.85 3.76 1.98 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 1.65 1.03 0.91 0.00 0.00 124 F 8.29 4.59 0.00 3.28 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 0.00 125 E 8.73 4.00 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 126 K 7.93 4.15 0.00 1.82 1.84 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 127 L 7.69 4.51 0.00 1.79 1.73 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.60 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 0.00 129 M 8.38 4.20 0.00 2.10 2.15 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 2.68 2.54 0.00 * Residues marked with a * may have inaccurate shift predictions.