NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3535 8.2033 119.6871 56.0133 31.0195 176.6534 3 E 4.0565 7.9679 115.3431 56.7784 29.2962 174.9426 *5 E 4.3071 8.3509 121.4929 56.5343 32.7457 177.5128 6 D 4.3953 7.9057 116.8492 57.1245 41.2240 177.8761 7 L 3.9775 7.7389 120.7916 58.3272 42.1270 179.0181 8 L 3.9997 7.9056 118.3181 57.9161 41.6044 178.7670 9 Y 4.0560 8.0021 119.0399 60.8057 38.8101 178.1467 10 R 3.8316 8.6270 119.3929 59.0594 30.0816 178.8404 11 L 3.9940 8.1006 120.4062 57.7451 42.0735 178.9700 12 K 3.8181 7.7498 119.6127 59.4065 32.1322 179.0109 13 V 3.3772 7.4265 118.2763 65.7589 31.3477 177.6724 14 A 3.9300 7.8759 120.4917 55.2120 18.1320 179.0274 15 D 4.2270 7.9684 116.3410 57.6460 41.2023 178.3165 16 E 4.0260 8.0583 120.2610 59.1300 29.4448 179.6063 17 T 3.8779 8.0569 115.7248 66.6104 68.5446 176.8185 18 I 3.7128 8.0987 122.3285 64.4171 37.0214 178.4890 19 S 4.1492 8.3008 115.3395 61.6503 62.6034 176.4281 20 N 4.4215 7.9631 120.0557 56.0045 38.2906 177.3495 21 L 3.9754 7.9189 120.3476 57.7907 41.6388 179.3952 22 F 3.8635 8.6996 120.8837 61.2404 39.3262 176.7863 23 E 4.2985 8.1288 119.7517 58.7251 29.2301 178.9804 24 K 3.9674 7.8129 117.4131 59.6271 32.2395 179.1797 25 Q 4.1487 8.1204 117.2845 58.5232 28.5390 177.9228 26 L 4.2099 7.9497 118.2980 53.7815 41.8726 178.3524 27 G 4.1172 8.2069 106.6357 45.6931 0.0000 173.6676 28 I 4.7007 7.2235 119.8752 58.1959 41.5029 175.1516 29 S 4.3588 8.5804 119.1791 58.0720 64.9304 175.0190 30 L 3.1966 8.4704 124.6780 58.6500 41.6658 179.6982 31 T 3.7451 7.6595 114.7545 66.8287 68.5770 176.9618 32 R 3.9037 7.6836 119.9734 59.2209 29.9329 178.5474 33 Y 3.8988 8.6351 119.9224 60.7612 38.7731 178.2682 34 S 4.1710 8.2178 116.1946 61.4373 62.8179 176.5434 35 I 3.6463 7.7418 122.5260 64.4663 36.9298 178.4144 36 L 3.9193 7.6895 119.4221 57.8990 41.3087 179.5256 37 Q 3.9287 8.0339 118.0202 59.3098 28.6709 179.2768 38 T 3.8794 8.2398 116.9177 66.6778 68.5425 176.7924 39 L 4.0015 8.2024 121.2233 57.8256 41.4337 179.6458 40 L 4.0823 8.3151 118.1271 56.9523 41.5036 179.0007 41 K 4.2759 7.5702 118.9708 58.1802 32.5488 177.1315 42 D 4.8480 8.0941 115.2246 53.6398 41.7855 176.0636 43 A 3.9443 7.8497 122.6500 51.2970 18.8852 176.4741 44 P 3.8479 0.0000 0.0000 62.3557 32.4840 175.6849 45 L 4.6523 7.7511 119.9937 53.2557 46.1415 175.8263 46 H 4.5544 8.5627 119.3932 55.4356 30.0275 176.1402 47 Q 3.9280 8.9448 121.8418 59.4802 28.8764 178.8092 48 L 3.9252 7.9598 120.4478 58.0652 42.0634 178.5522 49 A 3.9896 7.9980 120.1170 55.3168 18.2615 179.3729 50 L 3.9032 7.7026 117.2064 58.0539 41.6713 179.8062 51 Q 4.0450 7.9958 117.6376 58.8655 28.4110 178.6010 52 E 3.8870 7.8464 118.8593 59.3911 29.8414 178.1463 53 R 4.0492 7.9665 116.9041 59.1484 30.2019 177.9942 54 L 4.1383 8.1099 115.8516 54.8739 42.3361 176.4294 55 Q 3.5843 7.8432 116.7496 56.8293 26.2463 173.1066 56 I 4.6767 7.2902 108.5569 58.0351 41.2086 175.2272 57 D 4.6587 8.3089 121.9731 52.7727 41.7353 177.1908 58 R 3.8632 8.4437 118.1847 59.4926 30.0778 177.9760 59 A 3.9830 8.0010 119.8944 55.0321 18.3589 179.3637 60 A 3.8432 8.1910 119.2040 55.3406 18.4930 180.0751 61 V 3.5953 7.6081 116.5638 66.4275 31.7144 178.2432 62 T 3.8913 8.0244 115.5349 66.5522 68.2829 176.5242 63 R 3.8405 7.8709 120.1371 59.7568 30.1965 178.0911 64 H 4.2281 8.1905 116.0501 59.2022 28.7759 177.8819 65 L 4.0730 8.4316 120.9556 57.4159 41.2918 179.5507 66 K 3.9690 8.0197 119.3864 59.4136 32.2300 178.8698 67 L 4.0194 7.9992 119.1907 57.9705 41.6262 179.5540 68 L 4.1964 8.1226 118.8748 57.7353 41.6466 179.3394 69 E 4.2332 8.3649 120.6347 58.9269 29.4461 178.6584 70 E 4.0645 8.3327 117.8774 58.9625 29.5887 178.5368 71 S 4.6307 7.9760 111.4141 57.8287 63.4883 174.6827 72 G 3.7681 7.6676 109.5684 46.6794 0.0000 174.2258 73 Y 4.6499 8.5878 119.7909 58.8221 39.0075 175.4064 74 I 5.3205 7.7478 111.3975 59.1899 41.8236 174.0535 75 I 4.7497 8.8897 115.3814 59.2333 41.2645 174.5016 76 R 5.1022 8.7607 122.4124 54.7234 32.2414 175.1033 77 K 4.8302 8.9986 123.3910 54.3096 36.0650 176.2842 78 R 4.6221 8.5819 121.8979 55.9483 30.9781 175.8658 79 N 4.5391 8.8403 122.2553 52.9814 39.2897 174.1813 80 P 4.3072 0.0000 0.0000 65.5405 31.7103 177.1568 81 D 4.5923 8.2535 116.4587 55.6371 41.5481 175.9374 82 N 4.8955 7.7108 117.1700 50.5190 38.7990 173.6858 83 Q 4.0531 8.5169 123.3442 58.6847 29.3906 177.9577 84 R 4.2055 7.8236 114.0394 57.1105 30.9270 175.8551 85 E 4.2456 8.3760 121.2802 55.7969 30.8172 175.3039 86 V 4.8761 8.4722 126.4695 61.1088 33.8722 174.3815 87 L 4.6505 8.9125 127.5191 52.8482 44.9542 175.4444 88 V 4.7842 8.4483 123.5158 61.4295 33.4622 174.7083 89 W 5.4403 9.1735 126.5978 54.2438 33.5090 173.0663 90 P 5.1814 0.0000 0.0000 62.8847 32.6348 175.1609 91 T 4.4758 8.1228 111.0389 60.0572 71.4414 175.3024 92 E 3.9426 8.7160 121.2391 59.3295 29.4493 178.1893 93 Q 3.9122 8.0734 118.9987 59.0989 29.0947 178.1219 94 A 4.2798 7.8696 121.6553 55.3553 18.4342 179.6399 95 R 3.8845 7.9132 116.8055 59.4185 30.0232 178.6991 96 E 4.1702 8.6631 119.5895 58.9145 29.3317 179.0872 97 A 4.0641 8.2792 119.8048 54.9168 18.5332 178.9146 98 L 4.3652 7.8128 115.7232 56.3165 42.4033 176.4690 99 I 4.3968 7.6453 115.2935 62.7730 40.1722 176.6871 100 T 4.1671 8.6761 110.9394 63.6291 69.9014 174.6044 101 N 5.1414 8.1682 121.0640 51.6678 39.0493 172.2625 102 P 4.7127 0.0000 0.0000 62.1354 33.0746 177.3983 103 S 4.2896 8.5423 114.9790 58.1655 65.0147 174.8859 104 A 3.9420 8.7028 125.5356 56.0436 17.9502 179.7935 105 H 4.0595 8.0892 115.7509 59.8389 30.1047 177.1216 106 H 4.2245 7.8663 118.1025 58.8691 28.4702 177.9278 107 Q 3.9885 8.4475 119.9865 58.8870 28.5930 178.5147 108 A 4.0002 7.9883 121.8279 55.1258 18.1399 179.8513 109 I 3.5724 7.5742 117.4796 64.2892 37.2540 178.3214 110 K 4.0303 7.7753 118.0421 59.9477 32.0178 179.2189 111 T 4.0735 7.6502 114.2408 66.4719 68.5172 177.9975 112 S 4.1818 7.8973 113.1350 58.7805 62.1520 175.2915 *114 N 4.6618 8.1860 118.2305 52.1891 40.2031 175.1618 115 Q 4.5934 7.6279 114.9941 55.9701 28.8275 177.0934 116 I 3.8863 7.8106 119.4978 64.0513 37.6025 175.8258 117 L 4.8663 7.3923 119.1977 52.9551 44.1249 177.1942 118 T 4.2731 8.5757 112.8168 61.1244 71.1514 176.1738 119 V 3.6178 8.1905 120.3120 65.8852 31.3784 177.6093 120 E 3.9250 8.0847 118.9796 59.3291 29.7846 178.5706 121 E 3.9994 7.9973 117.6373 59.0191 29.6876 179.0809 122 S 4.0983 8.2603 117.0133 62.1651 62.6897 176.6383 123 E 4.0896 8.3180 121.0141 61.0143 29.4090 180.6965 124 Q 4.2023 8.5238 120.1605 58.9897 29.1392 177.9252 125 F 4.0883 8.2437 121.6759 61.4912 39.4943 177.2388 126 L 4.0099 8.1308 118.0450 57.4409 41.3490 179.4798 127 A 3.9422 7.9133 120.5368 55.5726 18.4048 179.8947 128 T 3.7980 7.9558 114.2663 66.3711 68.3334 176.8396 129 L 3.7435 7.7105 122.4459 58.0857 42.1013 178.8070 130 D 4.2603 7.9687 118.8659 57.2616 40.7966 178.5332 131 K 3.9106 8.0349 120.1241 59.3901 32.1037 178.5848 132 L 3.8761 7.9258 120.4802 58.0533 42.0101 178.8626 133 L 3.9603 8.0056 119.0345 57.8579 41.5772 179.4981 134 I 3.7644 8.2205 120.1727 64.4690 36.8606 178.7146 135 G 3.6215 7.7586 104.9795 47.8156 0.0000 175.4335 136 L 4.1591 8.0593 121.3482 57.6217 41.4305 179.4696 137 Q 4.0643 8.0577 117.1550 58.8666 28.6622 177.7802 138 N 4.7577 7.7112 114.7590 52.4866 38.9372 175.4560 139 L 4.2168 6.9596 120.7550 53.5816 42.3728 175.2853 140 P 4.1964 0.0000 0.0000 64.0549 31.9546 176.5791 141 I 3.5475 8.2859 112.8048 61.4869 38.1942 173.3551 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 Q 8.20 4.35 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 3 E 7.97 4.06 0.00 2.11 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 2.40 2.40 0.00 *5 E 8.35 4.31 0.00 2.11 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 2.30 2.38 0.00 6 D 7.91 4.40 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.74 3.98 0.00 1.72 1.67 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.91 4.00 0.00 1.92 1.73 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.00 4.06 0.00 3.14 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 10 R 8.63 3.83 0.00 2.01 1.97 0.00 3.35 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 11 L 8.10 3.99 0.00 1.94 1.84 0.99 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.75 3.82 0.00 1.82 1.67 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.39 7.81 13 V 7.43 3.38 1.85 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 0.88 0.00 0.00 0.32 0.00 0.00 14 A 7.88 3.93 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 15 D 7.97 4.23 0.00 2.90 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 16 E 8.06 4.03 0.00 2.15 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 17 T 8.06 3.88 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 1.20 0.00 0.00 18 I 8.10 3.71 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.61 0.89 0.00 0.00 19 S 8.30 4.15 0.00 4.02 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 20 N 7.96 4.42 0.00 2.85 2.92 0.00 0.00 7.05 6.65 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 21 L 7.92 3.98 0.00 1.93 1.73 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.70 3.86 0.00 3.08 2.96 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 0.00 0.00 0.00 23 E 8.13 4.30 0.00 2.29 2.10 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 2.35 2.35 0.00 24 K 7.81 3.97 0.00 1.79 1.85 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.63 7.81 25 Q 8.12 4.15 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 26 L 7.95 4.21 0.00 1.11 1.35 0.64 0.60 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 27 G 8.21 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 28 I 7.22 4.70 2.11 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 1.21 0.94 0.91 0.00 0.00 29 S 8.58 4.36 0.00 4.08 4.05 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 0.00 0.00 0.00 30 L 8.47 3.20 0.00 1.28 1.48 -0.16 0.53 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 31 T 7.66 3.75 4.05 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 0.00 0.00 1.02 0.00 0.00 32 R 7.68 3.90 0.00 1.80 1.93 0.00 3.16 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 33 Y 8.64 3.90 0.00 3.29 3.15 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 34 S 8.22 4.17 0.00 4.04 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 35 I 7.74 3.65 1.99 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 1.49 0.83 0.89 0.00 0.00 36 L 7.69 3.92 0.00 1.58 1.55 0.55 1.05 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 37 Q 8.03 3.93 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 38 T 8.24 3.88 4.36 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 1.18 0.00 0.00 39 L 8.20 4.00 0.00 1.80 1.72 0.93 0.52 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 40 L 8.32 4.08 0.00 1.54 1.74 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.57 4.28 0.00 1.81 1.95 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.47 7.81 42 D 8.09 4.85 0.00 2.67 2.56 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 43 A 7.85 3.94 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 44 P 0.00 3.85 0.00 1.31 0.49 0.00 3.49 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 45 L 7.75 4.65 0.00 1.39 1.42 0.85 1.47 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 46 H 8.56 4.55 0.00 3.11 3.18 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.94 3.93 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 48 L 7.96 3.93 0.00 1.74 1.64 0.90 1.30 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 49 A 8.00 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 50 L 7.70 3.90 0.00 1.84 1.72 0.90 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.00 4.04 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 52 E 7.85 3.89 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 53 R 7.97 4.05 0.00 1.81 1.96 0.00 3.18 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 54 L 8.11 4.14 0.00 1.74 1.70 0.95 1.16 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 55 Q 7.84 3.58 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 56 I 7.29 4.68 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.92 0.00 0.00 57 D 8.31 4.66 0.00 2.89 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.44 3.86 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 59 A 8.00 3.98 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 60 A 8.19 3.84 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 61 V 7.61 3.60 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 1.07 0.00 0.00 1.00 0.00 0.00 62 T 8.02 3.89 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 1.22 0.00 0.00 63 R 7.87 3.84 0.00 1.87 2.00 0.00 3.08 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 64 H 8.19 4.23 0.00 3.36 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.43 4.07 0.00 1.72 1.75 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.02 3.97 0.00 2.02 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 67 L 8.00 4.02 0.00 1.97 1.76 0.95 0.45 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 68 L 8.12 4.20 0.00 1.77 1.84 0.93 0.64 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 69 E 8.36 4.23 0.00 2.22 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 2.33 2.39 0.00 70 E 8.33 4.06 0.00 2.20 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 2.37 2.47 0.00 71 S 7.98 4.63 0.00 4.20 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 72 G 7.67 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 73 Y 8.59 4.65 0.00 3.03 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 74 I 7.75 5.32 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 0.99 0.00 0.00 75 I 8.89 4.75 1.93 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 1.33 0.87 0.93 0.00 0.00 76 R 8.76 5.10 0.00 1.72 1.93 0.00 3.17 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 77 K 9.00 4.83 0.00 1.86 1.73 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.49 7.81 78 R 8.58 4.62 0.00 1.73 2.01 0.00 3.23 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 79 N 8.84 4.54 0.00 2.94 2.95 0.00 0.00 7.17 7.87 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 80 P 0.00 4.31 0.00 2.10 2.13 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 81 D 8.25 4.59 0.00 2.67 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 82 N 7.71 4.90 0.00 2.77 2.80 0.00 0.00 6.67 6.98 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 83 Q 8.52 4.05 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 84 R 7.82 4.21 0.00 1.85 1.97 0.00 3.26 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 85 E 8.38 4.25 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 86 V 8.47 4.88 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.01 0.00 0.00 87 L 8.91 4.65 0.00 1.63 1.03 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.45 4.78 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 0.97 0.00 0.00 0.95 0.00 0.00 89 W 9.17 5.44 0.00 3.22 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 90 P 0.00 5.18 0.00 2.14 2.10 0.00 4.06 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 91 T 8.12 4.48 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 1.26 0.00 0.00 92 E 8.72 3.94 0.00 2.08 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 2.36 2.52 0.00 93 Q 8.07 3.91 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 94 A 7.87 4.28 1.50 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 0.00 0.00 0.00 95 R 7.91 3.88 0.00 1.92 1.96 0.00 3.11 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 96 E 8.66 4.17 0.00 2.28 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 2.34 2.43 0.00 97 A 8.28 4.06 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.81 4.37 0.00 1.68 1.63 0.72 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.65 4.40 1.98 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 1.46 0.88 0.93 0.00 0.00 100 T 8.68 4.17 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 0.00 101 N 8.17 5.14 0.00 2.62 2.82 0.00 0.00 7.21 7.75 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 0.00 102 P 0.00 4.71 0.00 2.25 2.20 0.00 3.59 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 2.01 2.20 0.00 103 S 8.54 4.29 0.00 4.04 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 0.00 104 A 8.70 3.94 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 0.00 105 H 8.09 4.06 0.00 3.20 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.87 4.22 0.00 3.31 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.45 3.99 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 108 A 7.99 4.00 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 0.00 109 I 7.57 3.57 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.72 0.00 0.00 110 K 7.78 4.03 0.00 1.92 1.89 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.57 7.81 111 T 7.65 4.07 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 1.20 0.00 0.00 112 S 7.90 4.18 0.00 3.95 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 *114 N 8.19 4.66 0.00 2.92 2.91 0.00 0.00 6.97 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.63 4.59 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 116 I 7.81 3.89 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.86 0.00 0.00 117 L 7.39 4.87 0.00 1.55 1.51 0.70 0.78 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 0.00 118 T 8.58 4.27 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 1.26 0.00 0.00 119 V 8.19 3.62 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 1.03 0.00 0.00 0.93 0.00 0.00 120 E 8.08 3.93 0.00 2.17 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 2.37 1.93 0.00 121 E 8.00 4.00 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 122 S 8.26 4.10 0.00 3.99 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 0.00 123 E 8.32 4.09 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 124 Q 8.52 4.20 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 125 F 8.24 4.09 0.00 3.33 3.22 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 0.00 126 L 8.13 4.01 0.00 1.82 1.73 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.91 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 0.00 128 T 7.96 3.80 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 1.11 0.00 0.00 129 L 7.71 3.74 0.00 1.49 1.68 0.76 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.97 4.26 0.00 2.92 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 0.00 131 K 8.03 3.91 0.00 1.90 1.92 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 132 L 7.93 3.88 0.00 1.87 1.78 0.89 0.38 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 0.00 133 L 8.01 3.96 0.00 1.85 1.68 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.22 3.76 1.85 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 1.44 0.79 0.90 0.00 0.00 135 G 7.76 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 0.00 136 L 8.06 4.16 0.00 1.83 1.71 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.06 4.06 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.32 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 138 N 7.71 4.76 0.00 2.69 2.82 0.00 0.00 7.09 7.89 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 0.00 139 L 6.96 4.22 0.00 1.63 1.59 0.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.20 0.00 2.03 2.01 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 141 I 8.29 3.55 1.87 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 1.27 0.40 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.