NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7155 8.4449 120.3867 55.5392 30.4017 172.8997 3 L 4.0339 8.1711 127.6548 52.9782 42.3030 176.5187 4 T 4.2257 9.4776 115.3717 60.3586 72.6096 173.8831 5 P 4.3238 0.0000 0.0000 65.4545 31.2203 178.8021 6 E 3.9552 8.0671 117.1902 59.2945 29.3644 179.0367 7 E 3.8761 8.2231 118.5100 59.3810 29.5521 179.4115 8 K 3.7999 8.2891 118.8271 59.7525 32.0388 179.5854 9 S 4.0981 8.2370 115.0331 61.4599 62.8444 176.5995 10 A 3.9942 8.2266 123.7111 55.0221 18.1184 179.9205 11 V 3.4240 7.9284 116.8329 66.5138 31.7541 178.4218 12 T 3.9745 8.0730 115.3344 66.5388 68.0254 176.5641 13 A 4.0322 8.1371 122.0214 55.1763 18.7786 179.1933 14 L 3.9329 7.9979 118.5700 57.9436 42.2313 178.9353 15 W 4.3687 8.8136 128.4034 60.0680 30.4124 178.0232 16 G 3.7826 8.0958 104.5005 46.7662 0.0000 174.7595 17 K 4.4657 7.7997 118.5947 55.5069 32.8137 176.5549 18 V 3.7023 6.9367 120.4423 61.9146 31.8998 175.5936 19 N 4.4704 8.3929 125.9017 52.5457 38.9782 175.2251 20 V 3.4722 8.1164 128.5732 66.0248 31.7551 177.2977 21 D 4.3425 8.0537 118.0072 57.4924 40.7847 178.5848 22 E 3.8832 8.4480 118.9265 59.4374 29.4405 179.6151 23 V 3.6042 8.0875 118.8391 65.6380 31.4053 178.3353 24 G 3.6745 8.3937 105.9620 47.7222 0.0000 175.8366 25 G 3.6252 7.9287 108.5723 47.4421 0.0000 175.3771 26 E 3.8650 8.2371 121.6221 58.7958 29.5856 178.8112 27 A 3.9126 8.2767 121.2477 55.0612 18.6174 179.4005 28 L 3.9447 8.2568 119.4015 58.1108 42.1399 179.3522 29 G 3.5760 8.1899 105.7640 48.0020 0.0000 175.9050 30 R 3.8892 8.2831 121.1068 58.5947 29.9464 178.8239 31 L 4.0133 8.1365 120.4714 58.3464 42.0620 179.1725 32 L 4.0456 7.7518 119.5647 56.5645 41.2371 179.7018 33 V 3.5035 7.2805 117.8471 65.8607 31.7208 178.0047 34 V 3.4845 7.7304 116.8944 64.4601 32.8164 175.6405 35 Y 3.7135 7.2386 116.7364 54.2926 37.6915 174.2477 36 P 4.7488 0.0000 0.0000 64.2693 31.7427 178.4471 37 W 4.2914 8.1503 116.8281 59.5025 27.5415 177.8984 38 T 4.1685 7.6511 110.5020 64.2522 68.1013 176.0429 39 Q 4.3588 8.2967 121.4314 58.1055 28.4217 178.1471 40 R 3.7785 7.6088 117.0141 58.9743 29.1575 177.8998 41 F 4.3495 7.1424 115.8883 57.4662 39.6516 175.7493 42 F 4.4804 7.5226 118.5066 56.5372 39.7379 177.3525 43 E 4.0039 8.4945 122.4604 59.4831 29.4174 178.4829 44 S 4.6077 8.0552 110.0203 58.7707 63.5191 174.4755 45 F 4.4374 8.4026 119.3515 58.2959 39.5149 176.8385 46 G 3.8556 8.0792 106.9487 44.3056 0.0000 173.0057 47 D 4.4208 8.6027 122.9445 54.8263 41.2030 176.3811 48 L 4.8931 8.3385 126.0944 54.3872 43.0574 178.0257 49 S 4.2847 8.5557 117.0854 60.9367 63.2010 174.6585 50 T 4.7301 7.4326 109.5042 58.0794 73.0665 172.6633 51 P 4.1928 0.0000 0.0000 66.1658 31.3408 178.6997 52 D 4.3752 8.0833 116.6533 57.1796 40.5101 178.6516 53 A 3.9684 7.7262 120.3915 54.9949 18.8450 179.5244 54 V 3.6829 8.1178 117.1589 66.6218 31.4398 178.2215 55 M 4.1794 8.3087 117.4456 57.8372 31.8766 178.1017 56 G 3.9904 7.8979 102.9861 43.5997 0.0000 173.2599 57 N 4.4116 7.5677 121.4181 52.6712 39.4353 173.6074 58 P 4.2143 0.0000 0.0000 66.1744 31.1502 178.6516 59 K 3.6818 7.9783 117.6627 58.7839 31.8358 179.4141 60 V 3.7150 7.9783 118.5747 66.0146 31.5080 178.3032 61 K 3.9612 8.3898 118.4037 59.2832 31.9022 179.2679 62 A 3.9686 8.2957 121.4433 55.4507 18.3473 179.2003 63 H 4.3383 8.6215 117.1864 59.2444 29.8889 177.5175 64 G 3.6795 8.5115 108.0570 47.7805 0.0000 175.2450 65 K 3.8779 8.0326 122.3679 59.1821 32.1695 178.7008 66 K 3.9836 7.9447 119.5828 59.3787 32.1611 178.9450 67 V 3.5922 8.2016 118.9088 66.1581 31.5841 177.8797 68 L 4.3541 8.4052 120.1034 57.6046 41.8410 179.0013 69 G 3.7714 8.4641 106.0950 47.8757 0.0000 175.6010 70 A 4.1188 8.2270 123.4260 54.6286 18.1806 179.3663 71 F 4.0892 8.3347 118.4636 61.6099 39.7822 176.9480 72 S 4.2021 9.0137 113.0264 61.6905 62.3695 175.8441 73 D 4.5096 8.5414 121.7507 57.3423 40.5790 179.0054 74 G 3.6159 8.0644 105.8121 47.1363 0.0000 175.4157 75 L 3.8529 7.3950 119.8449 56.6187 41.6276 178.1549 76 A 4.2352 7.4782 118.9552 52.7050 19.4000 176.6376 77 H 4.9058 7.9395 115.1949 54.9494 29.8039 175.6229 78 L 3.9194 7.9752 119.9667 57.4474 41.8181 178.3743 79 D 4.6649 7.9131 116.1416 55.1401 41.6192 175.8193 80 N 5.1184 8.1415 117.8739 51.6823 39.9747 176.5649 81 L 4.0534 8.1250 120.3009 57.7815 41.7655 178.9193 82 K 4.0349 8.0984 117.2195 59.7127 32.0876 179.1540 83 G 3.6907 7.9904 105.1968 47.9405 0.0000 175.7624 84 T 3.7591 7.9086 117.4275 65.6707 68.5719 175.8333 85 F 4.6960 7.9745 117.1312 57.0886 39.2293 177.4722 86 A 4.0600 7.5791 122.1284 55.7219 18.2462 180.5905 87 T 3.8372 7.8424 113.5851 66.9352 68.5677 176.8573 88 L 4.1642 7.9616 120.2926 57.4760 41.6798 179.3885 89 S 4.3825 8.3795 115.1177 61.0646 62.4284 175.9490 90 E 3.9068 8.3199 121.2729 59.2485 29.1280 179.1384 91 L 3.8924 7.8785 120.0829 58.7059 42.1442 178.8991 92 H 4.1417 8.5417 116.1441 59.0424 28.4786 177.0107 93 C 3.5238 7.9079 120.8445 62.1167 31.1152 175.3403 94 D 4.2649 8.4715 121.2353 56.4355 40.5919 177.4898 95 K 4.2840 7.7275 116.6002 57.3632 33.8133 177.1589 96 L 4.1938 7.8975 116.5433 54.6977 42.4275 176.0501 97 H 4.1338 7.0684 114.6322 56.6439 26.6397 175.2618 98 V 3.8455 7.9926 118.2893 60.7926 32.6485 174.8115 99 D 4.3933 8.7110 127.1790 53.8233 41.6899 175.2270 100 P 3.3545 0.0000 0.0000 64.7886 31.8273 177.9628 101 E 3.8846 8.3242 119.0347 59.2555 29.2083 178.4107 102 N 4.2634 7.8564 116.5990 56.3057 38.5105 177.2791 103 F 4.4380 7.3703 119.1706 60.4919 38.9049 178.0243 104 R 3.9795 7.9113 117.3850 59.1892 30.0179 178.7832 105 L 3.8097 7.9002 118.7918 57.6785 41.5492 179.3618 106 L 4.0945 8.3480 120.6810 57.9421 42.0253 179.1092 107 G 3.7205 8.2018 105.6968 48.1136 0.0000 175.3847 108 N 4.4461 8.2130 119.3407 55.9305 38.4924 177.7775 109 V 3.6426 7.9548 119.7505 65.8668 31.6134 177.8465 110 L 3.9133 8.4059 120.6419 58.0118 41.7824 179.1734 111 V 3.5701 7.9883 118.2882 66.2014 31.4303 177.8246 112 C 4.0948 8.2188 116.5186 62.7367 27.9366 176.3228 113 V 3.5197 8.1141 120.2715 65.8370 31.0197 178.0935 114 L 3.8963 7.7944 118.5186 57.6524 41.3832 179.3469 115 A 3.7595 7.4687 120.8750 55.2886 18.0904 179.1694 116 H 4.1079 8.1528 115.9206 59.6478 30.0192 176.7461 117 H 3.9542 8.3236 119.1826 58.9513 29.7870 176.6737 118 F 4.4014 8.2229 117.7036 57.6358 39.8142 178.2735 119 G 3.7523 8.7040 107.7363 45.7880 0.0000 176.1348 120 K 3.8541 9.0724 122.2996 59.5727 32.0922 177.7507 121 E 4.1024 8.3553 116.8429 59.1192 29.7508 177.4875 122 F 4.4889 8.1863 122.8025 57.0524 37.8516 175.0269 123 T 4.2273 7.3923 116.5071 59.8357 71.3840 173.5352 124 P 4.1395 0.0000 0.0000 65.5273 31.2560 177.1706 125 P 4.1827 0.0000 0.0000 65.4307 31.2759 178.8650 126 V 3.5266 7.4739 116.7330 65.8735 31.4366 177.7477 127 Q 3.5249 8.0110 119.3373 59.1137 28.9642 178.1484 128 A 4.0644 8.1556 121.5817 55.1527 18.4100 179.5138 129 A 3.8803 7.9958 119.1738 55.6478 18.4715 179.5844 130 Y 3.9339 8.3187 115.1854 61.0748 37.8442 178.7451 131 Q 4.1524 8.8668 119.7093 58.8377 28.7207 178.8064 132 K 3.9464 7.9988 119.2994 59.3869 32.0564 179.5704 133 V 3.4664 7.6371 118.2024 66.1900 31.4296 178.5689 134 V 3.8759 8.4216 112.3909 64.3058 31.2963 178.4759 135 A 4.0998 8.3841 120.9016 55.0391 18.1602 179.9489 136 G 3.4700 8.3468 104.5542 47.9340 0.0000 176.1641 137 V 3.2293 8.1286 121.1536 65.4571 31.5001 178.0183 138 A 3.8560 8.1774 120.7155 55.1938 17.9959 179.3903 139 N 4.3069 8.1964 114.0938 56.2445 38.8439 177.2571 140 A 4.1511 8.1524 122.4424 55.2116 18.5354 179.7163 141 L 3.9359 7.9647 116.9849 56.9519 41.6117 178.7191 142 A 4.3162 7.8298 119.8145 53.1791 18.8126 178.5872 143 H 4.1560 7.9151 116.5755 58.7065 30.0616 175.9968 144 K 4.5027 8.3019 116.7663 56.2425 31.9918 176.2986 145 Y 4.2275 8.0009 117.3939 58.4646 38.4607 175.6211 146 H 4.4376 8.3120 116.8754 56.2516 28.1997 173.3967 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 H 8.44 4.72 0.00 3.13 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.17 4.03 0.00 1.62 1.47 0.82 0.49 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 4 T 9.48 4.23 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 1.17 0.00 0.00 5 P 0.00 4.32 0.00 2.16 2.11 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 6 E 8.07 3.96 0.00 2.02 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 2.38 2.45 0.00 7 E 8.22 3.88 0.00 2.21 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 0.00 2.28 2.30 0.00 8 K 8.29 3.80 0.00 1.87 1.81 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.43 7.81 9 S 8.24 4.10 0.00 3.86 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 10 A 8.23 3.99 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 11 V 7.93 3.42 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 0.61 0.00 0.00 0.45 0.00 0.00 12 T 8.07 3.97 4.40 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 1.25 0.00 0.00 13 A 8.14 4.03 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 14 L 8.00 3.93 0.00 1.88 1.97 -0.11 0.67 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 15 W 8.81 4.37 0.00 3.81 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.10 3.78 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 0.00 0.00 0.00 17 K 7.80 4.47 0.00 1.88 2.11 0.00 1.69 0.00 0.00 1.51 0.00 0.00 3.21 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.42 7.81 18 V 6.94 3.70 1.05 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 -0.13 0.00 0.00 0.67 0.00 0.00 19 N 8.39 4.47 0.00 2.71 2.58 0.00 0.00 6.83 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 20 V 8.12 3.47 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 1.28 0.00 0.00 0.98 0.00 0.00 21 D 8.05 4.34 0.00 2.86 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.45 3.88 0.00 1.91 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 2.26 2.36 0.00 23 V 8.09 3.60 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 0.99 0.00 0.00 0.70 0.00 0.00 24 G 8.39 3.67 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 0.00 0.00 0.00 25 G 7.93 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 26 E 8.24 3.86 0.00 2.09 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 2.23 2.31 0.00 27 A 8.28 3.91 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 28 L 8.26 3.94 0.00 1.72 1.62 0.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.19 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 30 R 8.28 3.89 0.00 1.79 1.91 0.00 3.08 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 31 L 8.14 4.01 0.00 1.86 1.86 1.03 0.94 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 32 L 7.75 4.05 0.00 1.91 1.66 0.90 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.28 3.50 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 0.71 0.00 0.00 0.93 0.00 0.00 34 V 7.73 3.48 1.52 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 -0.03 0.00 0.00 0.72 0.00 0.00 35 Y 7.24 3.71 0.00 2.51 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 36 P 0.00 4.75 0.00 2.30 2.28 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.89 0.00 37 W 8.15 4.29 0.00 3.54 3.44 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 38 T 7.65 4.17 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 1.15 0.00 0.00 39 Q 8.30 4.36 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 40 R 7.61 3.78 0.00 1.64 1.96 0.00 3.01 0.00 0.00 2.78 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 41 F 7.14 4.35 0.00 2.07 2.33 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 42 F 7.52 4.48 0.00 2.91 2.31 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 43 E 8.49 4.00 0.00 1.95 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 2.25 2.21 0.00 44 S 8.06 4.61 0.00 4.10 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 45 F 8.40 4.44 0.00 3.28 3.19 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 46 G 8.08 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 47 D 8.60 4.42 0.00 2.65 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 48 L 8.34 4.89 0.00 1.66 1.62 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.56 4.28 0.00 3.99 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 50 T 7.43 4.73 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 1.21 0.00 0.00 51 P 0.00 4.19 0.00 2.14 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 52 D 8.08 4.38 0.00 2.67 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 53 A 7.73 3.97 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 54 V 8.12 3.68 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 0.96 0.00 0.00 55 M 8.31 4.18 0.00 1.95 2.09 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 2.60 2.91 0.00 56 G 7.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.57 4.41 0.00 3.02 2.86 0.00 0.00 6.87 7.02 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 58 P 0.00 4.21 0.00 2.24 2.26 0.00 3.73 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 2.03 2.03 0.00 59 K 7.98 3.68 0.00 1.80 0.74 0.00 1.66 0.00 0.00 1.33 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.18 1.29 7.81 60 V 7.98 3.71 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 1.10 0.00 0.00 1.05 0.00 0.00 61 K 8.39 3.96 0.00 1.95 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.56 7.81 62 A 8.30 3.97 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 63 H 8.62 4.34 0.00 3.68 3.54 0.00 5.80 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 64 G 8.51 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.03 3.88 0.00 1.86 2.09 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.74 7.81 66 K 7.94 3.98 0.00 1.95 2.00 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.52 7.81 67 V 8.20 3.59 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 1.01 0.00 0.00 0.91 0.00 0.00 68 L 8.41 4.35 0.00 1.92 1.77 0.67 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.46 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 0.00 0.00 0.00 70 A 8.23 4.12 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 71 F 8.33 4.09 0.00 3.11 3.36 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 72 S 9.01 4.20 0.00 4.61 4.35 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 73 D 8.54 4.51 0.00 2.89 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 74 G 8.06 3.62 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 0.00 0.00 0.00 75 L 7.40 3.85 0.00 1.41 1.38 -0.61 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.48 4.24 1.17 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 77 H 7.94 4.91 0.00 3.11 3.15 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.98 3.92 0.00 1.53 1.64 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.91 4.66 0.00 2.64 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 80 N 8.14 5.12 0.00 2.72 2.67 0.00 0.00 6.90 6.82 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 81 L 8.13 4.05 0.00 1.70 1.84 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.10 4.03 0.00 1.67 1.81 0.00 1.60 0.00 0.00 1.18 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.45 7.81 83 G 7.99 3.69 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 0.00 0.00 0.00 84 T 7.91 3.76 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 0.55 0.00 0.00 85 F 7.97 4.70 0.00 3.17 2.93 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 86 A 7.58 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.84 3.84 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 1.22 0.00 0.00 88 L 7.96 4.16 0.00 1.86 1.86 1.10 0.90 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 89 S 8.38 4.38 0.00 4.16 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 90 E 8.32 3.91 0.00 2.21 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 2.33 2.52 0.00 91 L 7.88 3.89 0.00 1.90 1.93 0.91 1.08 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 92 H 8.54 4.14 0.00 3.74 3.80 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.91 3.52 0.00 1.23 2.46 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 0.00 0.00 0.00 0.00 94 D 8.47 4.26 0.00 2.71 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 95 K 7.73 4.28 0.00 1.78 1.78 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.34 7.81 96 L 7.90 4.19 0.00 1.69 1.63 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.07 4.13 0.00 3.50 3.40 0.00 5.64 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.99 3.85 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 0.06 0.00 0.00 0.55 0.00 0.00 99 D 8.71 4.39 0.00 2.80 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 0.00 100 P 0.00 3.35 0.00 1.94 1.88 0.00 3.39 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 1.25 0.51 0.00 101 E 8.32 3.88 0.00 2.03 1.91 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 2.31 2.39 0.00 102 N 7.86 4.26 0.00 2.39 2.68 0.00 0.00 6.92 8.27 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 0.00 103 F 7.37 4.44 0.00 3.11 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 0.00 104 R 7.91 3.98 0.00 1.98 1.97 0.00 3.32 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 105 L 7.90 3.81 0.00 1.69 1.32 0.77 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.35 4.09 0.00 1.89 1.87 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.20 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.21 4.45 0.00 2.83 2.96 0.00 0.00 6.72 7.77 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 0.00 109 V 7.95 3.64 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 1.14 0.00 0.00 1.15 0.00 0.00 110 L 8.41 3.91 0.00 1.65 1.81 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.99 3.57 2.31 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 1.40 0.00 0.00 1.18 0.00 0.00 112 C 8.22 4.09 0.00 3.17 2.93 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 0.00 113 V 8.11 3.52 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 0.83 0.00 0.00 0.94 0.00 0.00 114 L 7.79 3.90 0.00 0.86 1.09 0.56 0.80 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 0.00 115 A 7.47 3.76 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 0.00 116 H 8.15 4.11 0.00 3.13 3.41 0.00 5.78 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 0.00 117 H 8.32 3.95 0.00 2.82 2.84 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.22 4.40 0.00 3.26 3.12 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 0.00 119 G 8.70 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 0.00 120 K 9.07 3.85 0.00 1.76 1.92 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 121 E 8.36 4.10 0.00 2.14 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 2.38 2.40 0.00 122 F 8.19 4.49 0.00 3.01 3.18 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 0.00 123 T 7.39 4.23 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 1.27 0.00 0.00 124 P 0.00 4.14 0.00 2.15 2.14 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 125 P 0.00 4.18 0.00 2.11 2.06 0.00 3.49 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.47 3.53 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 0.96 0.00 0.00 0.91 0.00 0.00 127 Q 8.01 3.52 0.00 1.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 128 A 8.16 4.06 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 0.00 129 A 8.00 3.88 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 0.00 130 Y 8.32 3.93 0.00 3.28 3.31 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 0.00 131 Q 8.87 4.15 0.00 2.22 2.21 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 2.74 2.62 0.00 132 K 8.00 3.95 0.00 1.98 1.82 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.60 7.81 133 V 7.64 3.47 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 0.87 0.00 0.00 0.67 0.00 0.00 134 V 8.42 3.88 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 0.95 0.00 0.00 1.15 0.00 0.00 135 A 8.38 4.10 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 0.00 136 G 8.35 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.13 3.23 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 0.49 0.00 0.00 0.54 0.00 0.00 138 A 8.18 3.86 1.45 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 0.00 0.00 0.00 139 N 8.20 4.31 0.00 2.86 2.90 0.00 0.00 7.03 7.12 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 0.00 140 A 8.15 4.15 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 0.00 141 L 7.96 3.94 0.00 1.07 0.63 -0.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.83 4.32 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 0.00 143 H 7.92 4.16 0.00 3.32 3.54 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.30 4.50 0.00 1.86 1.84 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.74 7.81 145 Y 8.00 4.23 0.00 3.12 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 0.00 146 H 8.31 4.44 0.00 3.23 3.25 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