NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5030 8.3049 118.1923 55.1327 32.6238 173.9458 2 L 4.5893 8.0844 116.7638 51.5102 45.7497 174.3173 3 D 4.9671 8.6627 122.3913 51.0843 43.0847 176.2885 4 A 3.8988 8.7367 120.4606 55.3497 17.9128 180.0439 5 F 4.1012 8.0038 115.4438 60.7817 39.1975 177.6999 6 A 4.0816 9.4334 121.1758 54.8338 18.1438 179.5435 7 K 3.8207 8.1524 118.2922 59.7889 32.3224 179.2005 8 V 3.5432 7.3665 117.0540 65.9408 31.3403 178.0848 9 V 3.5407 7.8648 117.8243 65.9446 31.3899 177.8919 10 A 3.9590 8.3780 120.9067 55.1965 18.3590 179.6575 11 Q 3.8940 8.0549 116.2247 58.9654 28.7863 178.8514 12 A 4.0366 8.0434 121.7665 55.1864 18.3536 179.1271 13 D 4.1782 8.3362 116.5859 57.4919 41.0848 178.3300 14 A 3.9621 7.7983 119.8990 54.5227 18.4061 178.7672 15 R 4.3877 7.3699 113.0225 55.1529 30.7696 176.7403 16 G 3.9056 8.1471 107.2743 46.3478 0.0000 173.3077 17 E 4.8098 7.8613 115.7516 53.5992 32.4322 175.4555 18 F 4.2640 8.7535 118.5261 56.8891 39.8487 175.3853 19 L 4.0741 8.1607 122.0335 54.7452 42.1317 177.8773 20 T 4.4662 7.8816 112.1925 60.8648 71.6348 175.6933 21 N 4.6265 8.6858 117.9353 56.3527 38.4422 177.5588 22 A 4.0360 7.9996 121.8914 55.2011 18.5408 179.5862 23 Q 3.8820 7.9274 116.1569 59.0668 28.7391 178.8456 24 F 4.3209 8.2084 118.8137 60.8526 38.9724 177.4107 25 D 4.4524 8.6850 118.5404 57.2615 40.7078 178.7791 26 A 3.9909 8.1827 121.2511 55.3844 18.6152 179.8143 27 L 3.9637 8.1288 117.4591 57.8397 41.6604 179.7410 28 S 4.2392 8.6806 113.8252 61.2868 62.3204 175.6806 29 N 4.3281 8.4288 119.9417 56.5243 38.4755 176.4759 30 L 3.9468 7.6277 120.4068 58.2573 42.4271 178.8327 31 V 3.8806 7.8887 117.6656 66.1079 31.2786 178.0672 32 K 4.0000 8.0141 117.0453 59.0409 31.9581 178.0949 33 E 4.5663 8.1419 116.8137 56.0646 29.6528 177.9205 34 G 3.8854 8.0831 108.4043 48.2417 0.0000 175.4046 35 N 4.3423 8.2987 118.2450 56.2301 38.5535 177.3549 36 K 3.9686 7.8121 119.4608 59.4412 32.1465 179.3727 37 R 3.9370 7.9729 118.4358 59.4350 30.0478 178.3999 38 L 4.0410 8.1275 118.8043 57.8576 41.5816 179.1743 39 D 4.3601 8.3806 118.7135 57.2944 40.7608 178.6995 40 A 4.0080 8.1494 121.1735 55.2166 18.3643 179.8586 41 V 3.5475 7.8474 116.6993 66.0934 31.5458 177.6880 42 N 4.2865 8.5407 117.1534 56.7868 38.6015 176.9892 43 R 3.9305 8.1485 118.4345 59.3838 30.6063 178.8968 44 I 3.9103 7.9433 119.5184 64.7326 37.2023 178.6516 45 T 3.8988 8.1304 116.7028 66.8029 68.1002 176.8177 46 S 4.3817 8.3839 115.7278 60.3160 62.9436 174.7609 47 N 4.9822 7.7189 117.9552 52.5477 39.6129 176.0945 48 A 4.0010 7.9910 123.5604 55.5532 18.2075 180.8057 49 S 4.0784 7.9915 112.8757 62.1604 62.9884 176.9712 50 T 3.8689 7.8364 117.8464 66.5426 68.3231 176.6078 51 I 3.6650 7.9194 121.8492 64.3679 37.0750 178.6976 52 V 3.5218 7.8918 118.5843 65.9782 31.3818 177.8957 53 A 3.9949 8.1926 120.7074 55.2591 18.2402 179.3564 54 N 4.2271 8.5947 115.1722 56.4294 38.5449 177.5462 55 A 3.9030 7.9242 121.7609 54.8985 18.4336 179.5521 56 A 3.4374 8.1828 119.5513 55.1708 18.5151 179.9342 57 R 3.9340 8.0793 116.4503 59.4522 30.2013 179.0676 58 A 3.9473 7.9377 120.3202 55.0112 18.3738 179.2369 59 L 3.7505 7.8065 118.9443 58.5679 41.6339 179.4379 60 F 4.7854 7.6795 117.0416 60.2569 38.5335 177.6736 61 A 4.1217 7.8813 120.2052 55.1043 18.2790 179.1265 62 E 4.2177 8.2353 116.1304 57.7535 31.3481 177.4264 63 Q 4.7551 8.4544 118.2205 53.0515 28.8776 174.2793 64 P 4.5923 0.0000 0.0000 64.6389 32.0811 179.6344 65 Q 4.0716 8.1450 117.0396 58.8306 28.7401 178.5287 66 L 4.0078 8.1617 119.2286 56.9301 41.7629 178.3205 67 I 4.3621 7.5165 109.8967 60.4589 37.8079 175.2855 68 Q 4.3770 7.4964 120.3952 53.9926 29.9604 173.5273 69 P 2.9700 0.0000 0.0000 64.0854 31.5926 176.3698 70 G 4.1217 8.5135 111.0065 45.5582 0.0000 175.6509 71 G 4.2715 8.3039 110.2370 44.6146 0.0000 175.0389 *75 A 4.2249 8.6390 128.0629 51.2856 19.7584 176.2129 76 Y 4.2473 7.5747 118.3883 59.0464 39.7836 175.4267 77 T 3.0692 7.3385 113.2592 62.1061 68.9061 172.6957 78 N 4.2984 8.2974 120.0979 56.0554 38.5261 177.7922 79 R 3.8284 7.7563 119.9544 59.6556 30.2445 178.7115 80 R 3.9688 7.7359 117.3637 59.2116 29.9251 178.7572 81 M 3.9685 8.1257 117.9323 58.5147 32.1745 178.1160 82 A 3.9715 8.3664 121.0758 55.1571 18.5592 179.3767 83 A 3.9738 8.1111 119.2683 55.4217 18.4294 179.4509 84 C 4.1266 8.4177 117.2882 62.7327 31.7399 175.7851 85 L 4.0529 8.2789 120.8601 57.7260 41.1557 179.4425 86 R 4.0849 8.4147 119.0288 59.6339 30.0544 178.2269 87 D 4.4664 8.3257 118.6092 57.8038 40.8075 178.7661 88 M 4.1654 8.1016 119.0548 58.5050 31.8617 178.7460 89 E 3.9777 8.3260 118.7217 59.3347 29.6025 179.4761 90 I 3.6969 8.1765 120.2964 64.4271 37.2189 178.5531 91 I 3.7791 8.3174 120.9948 64.3872 36.9949 178.2627 92 L 3.9601 8.1438 121.2672 57.9613 41.8813 178.9815 93 R 3.4532 8.0114 118.9355 59.6471 30.0143 178.2766 94 Y 3.6807 7.7096 116.3245 60.5607 37.7501 178.5977 95 V 3.3509 7.7376 119.7885 66.0648 31.5830 178.2478 96 T 3.8763 7.7138 109.4858 64.8442 68.4522 176.1443 97 Y 4.3060 7.5736 119.4505 60.9824 37.7926 178.3403 98 A 3.9784 7.8402 123.0269 54.4136 18.0723 179.7976 99 I 3.7659 7.2387 117.5290 64.5087 37.3129 178.0416 100 L 4.1183 7.8404 119.5808 58.2264 42.1856 178.6316 101 A 4.2371 8.4019 120.8201 52.7778 18.0208 178.5922 102 G 4.0291 9.3043 104.7424 45.5338 0.0000 172.7813 103 D 4.7019 7.4904 116.5007 51.8544 44.0313 175.8360 104 S 4.2857 8.7605 119.7960 58.8682 63.4679 176.0716 105 S 4.1087 8.8289 120.2183 62.1139 62.4387 176.9979 106 V 3.6315 7.7614 122.6561 64.0269 30.9708 177.8857 107 L 3.8798 7.7652 120.3743 58.0136 42.1728 178.5394 108 D 4.2799 8.3344 119.1914 57.3708 40.5230 178.6373 109 D 4.2511 8.2026 118.5266 57.1531 41.1340 178.3341 110 R 4.2841 7.6352 114.6614 56.2558 30.4873 175.8624 111 C 4.2294 7.1571 116.6368 60.7431 33.6098 175.0791 112 L 3.9911 8.0143 119.4020 57.0088 41.4992 176.7377 113 N 4.2961 7.7147 117.6301 54.9391 38.9270 174.9981 114 G 4.2504 8.9134 113.8416 45.6326 0.0000 174.4204 115 L 3.6349 7.8493 122.3154 57.8210 41.9902 178.3838 116 R 3.9496 8.0232 118.2153 60.0213 30.0006 178.0353 117 E 4.2781 8.0197 118.6581 59.0293 29.4668 179.5211 118 T 3.8058 7.7333 115.7541 66.9700 68.4789 176.4340 119 Y 4.4778 7.8822 118.6339 61.1931 37.4314 178.7577 120 Q 4.0330 8.3078 118.9566 58.9896 28.6253 178.6712 121 A 4.0503 7.8925 120.7132 54.8574 18.4571 179.1655 122 L 4.2920 7.9086 116.7141 55.4636 41.9307 178.2281 123 G 3.9750 8.3912 106.3014 45.5849 0.0000 173.1366 124 T 4.0873 7.6370 116.1103 61.9679 69.3496 173.8255 125 P 4.5138 0.0000 0.0000 62.2651 31.1834 177.0471 126 G 3.8469 8.8272 114.1753 47.2655 0.0000 173.2183 127 S 4.1435 7.9996 115.9631 61.6539 63.0195 176.7378 128 S 4.1312 8.0235 118.6709 61.0391 62.4544 176.7229 129 V 3.5085 7.5656 120.3918 65.9654 31.2661 177.7514 130 A 3.9983 8.1794 120.5482 55.1593 18.2215 179.8125 131 V 3.4946 7.6094 116.2136 65.9838 31.5740 178.1795 132 A 3.9220 7.9923 120.5955 55.0771 18.1804 179.6778 133 I 3.7320 8.0480 118.5470 64.7774 37.2965 178.6095 134 Q 3.9556 8.2520 118.9158 58.7797 28.5763 179.0523 135 K 3.8367 7.9245 120.4125 59.8628 32.3050 178.9034 136 M 4.0095 7.9721 118.9275 57.8738 31.6778 178.6559 137 K 2.0000 7.5432 119.8812 59.0340 32.4077 178.4531 138 D 4.2037 7.6822 118.6549 57.3933 40.7163 178.9030 139 A 3.9337 7.8164 120.6745 54.8756 18.2951 179.5530 140 A 3.9276 8.3566 119.6296 55.5043 18.4195 180.0259 141 I 3.6834 7.9587 118.3733 64.2823 36.8880 178.5284 142 A 3.9713 7.6660 120.7827 55.1659 18.3609 179.5446 143 I 3.8279 7.8073 118.0714 64.4983 37.0499 178.5563 144 A 4.0713 8.2120 120.7574 54.3706 18.1771 178.1505 145 N 4.9435 7.9841 113.5778 52.3832 39.4401 174.0514 146 D 4.4402 7.4377 119.6611 52.8374 41.1100 174.6473 147 P 4.3847 0.0000 0.0000 64.9505 31.5559 176.3972 148 N 4.5030 8.6556 117.7448 53.9618 39.0921 175.1056 149 G 3.9517 9.9069 109.6327 45.7555 0.0000 172.9905 150 I 4.4925 7.2855 110.0428 59.0968 40.0980 174.4215 151 T 3.8929 8.4358 119.1988 62.9087 68.5326 172.6866 152 P 4.2314 0.0000 0.0000 62.9710 31.5374 175.6540 153 G 3.8568 7.8838 108.8544 45.7000 0.0000 171.5416 154 D 4.7204 8.6474 119.1660 53.1996 41.8524 175.5763 155 C 4.8923 8.4548 123.7461 59.3916 29.3833 176.0029 156 S 4.0994 8.5688 118.3004 61.7673 62.3227 176.1068 157 A 3.9441 7.9521 124.0522 54.6089 18.0814 179.1943 158 L 3.9340 7.8382 118.3479 58.6429 42.1953 178.9960 159 M 4.0867 8.4824 119.0862 58.2838 31.9473 178.7233 160 S 4.0448 8.2204 113.6978 61.1620 62.1517 175.8581 161 E 3.6845 8.1287 122.0557 59.1627 29.5101 178.7815 162 I 3.8541 8.0169 119.8704 64.5372 37.1837 178.2515 163 A 4.3235 8.4436 121.9042 55.1736 18.1075 179.9077 164 G 3.4323 7.7969 103.9841 48.0819 0.0000 175.6494 165 Y 4.3316 7.4031 119.1346 60.8815 37.8195 178.4259 166 F 4.1672 8.1771 118.2443 60.8667 38.9894 177.5432 167 D 4.4211 8.5597 118.5883 57.2051 40.5313 178.8476 168 R 3.8922 8.2315 119.2423 59.3852 29.9898 178.5060 169 A 4.0074 8.3179 120.4341 55.0450 18.3278 179.4218 170 A 4.0787 8.4069 119.3235 55.3640 18.2479 179.7845 171 A 3.9446 8.2172 118.3153 55.1861 18.5518 179.5184 172 A 4.1052 8.0337 118.1813 54.4030 18.5324 179.1612 173 V 4.3106 7.4683 108.5488 62.2285 33.2075 175.8471 174 A 4.3121 8.1599 125.4294 52.4256 18.1968 176.9019 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 1 M 8.30 4.50 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 2 L 8.08 4.59 0.00 1.59 1.55 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.66 4.97 0.00 3.16 2.86 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 4 A 8.74 3.90 1.06 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 5 F 8.00 4.10 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 9.43 4.08 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 7 K 8.15 3.82 0.00 1.92 1.97 0.00 1.91 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 8 V 7.37 3.54 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.90 0.00 0.00 9 V 7.86 3.54 2.23 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 1.02 0.00 0.00 0.99 0.00 0.00 10 A 8.38 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 11 Q 8.05 3.89 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 12 A 8.04 4.04 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 13 D 8.34 4.18 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 3.96 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 15 R 7.37 4.39 0.00 1.98 2.04 0.00 3.50 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 16 G 8.15 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 0.00 0.00 0.00 17 E 7.86 4.81 0.00 2.14 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 2.18 2.24 0.00 18 F 8.75 4.26 0.00 3.04 3.14 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 0.00 0.00 0.00 0.00 19 L 8.16 4.07 0.00 0.77 0.60 0.78 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.88 4.47 4.27 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 1.22 0.00 0.00 21 N 8.69 4.63 0.00 2.84 2.99 0.00 0.00 6.69 7.78 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 22 A 8.00 4.04 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 23 Q 7.93 3.88 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 24 F 8.21 4.32 0.00 3.29 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 25 D 8.68 4.45 0.00 2.99 2.77 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 26 A 8.18 3.99 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 27 L 8.13 3.96 0.00 1.89 2.05 1.02 0.23 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 28 S 8.68 4.24 0.00 4.05 4.11 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 0.00 0.00 0.00 0.00 29 N 8.43 4.33 0.00 2.90 3.12 0.00 0.00 6.83 6.21 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 30 L 7.63 3.95 0.00 1.64 1.88 0.48 1.00 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 31 V 7.89 3.88 2.35 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 1.02 0.00 0.00 1.18 0.00 0.00 32 K 8.01 4.00 0.00 2.01 1.90 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.56 7.81 33 E 8.14 4.57 0.00 2.14 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 0.00 2.45 2.47 0.00 34 G 8.08 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 35 N 8.30 4.34 0.00 2.80 2.92 0.00 0.00 7.11 7.91 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 36 K 7.81 3.97 0.00 1.93 1.88 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 37 R 7.97 3.94 0.00 1.92 2.17 0.00 3.25 0.00 0.00 3.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 38 L 8.13 4.04 0.00 1.98 1.73 1.06 0.98 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 39 D 8.38 4.36 0.00 2.98 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 40 A 8.15 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.85 3.55 2.23 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 1.10 0.00 0.00 1.03 0.00 0.00 42 N 8.54 4.29 0.00 2.86 3.01 0.00 0.00 7.27 7.19 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 43 R 8.15 3.93 0.00 2.01 2.00 0.00 3.24 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 44 I 7.94 3.91 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.17 1.00 0.00 0.00 45 T 8.13 3.90 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 46 S 8.38 4.38 0.00 3.85 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 47 N 7.72 4.98 0.00 2.82 2.75 0.00 0.00 6.69 6.61 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 48 A 7.99 4.00 1.35 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 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 T 7.34 3.07 3.96 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 0.60 0.00 0.00 78 N 8.30 4.30 0.00 2.71 2.86 0.00 0.00 6.67 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 79 R 7.76 3.83 0.00 1.78 1.88 0.00 3.33 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 80 R 7.74 3.97 0.00 2.07 1.96 0.00 3.21 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 81 M 8.13 3.97 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 82 A 8.37 3.97 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 83 A 8.11 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.42 4.13 0.00 3.17 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.28 4.05 0.00 1.92 1.75 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.41 4.08 0.00 1.99 2.22 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 87 D 8.33 4.47 0.00 3.11 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 88 M 8.10 4.17 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.60 0.00 89 E 8.33 3.98 0.00 2.19 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 2.34 2.57 0.00 90 I 8.18 3.70 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.88 1.16 0.00 0.00 91 I 8.32 3.78 2.07 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 1.75 1.13 0.97 0.00 0.00 92 L 8.14 3.96 0.00 1.90 1.81 1.13 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.38 2.32 0.00 118 T 7.73 3.81 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 1.05 0.00 0.00 119 Y 7.88 4.48 0.00 3.15 3.10 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 0.00 120 Q 8.31 4.03 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.75 0.00 121 A 7.89 4.05 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 0.00 122 L 7.91 4.29 0.00 1.78 1.81 1.05 1.05 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 0.00 123 G 8.39 3.98 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 0.00 0.00 0.00 124 T 7.64 4.09 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 0.80 0.00 0.00 125 P 0.00 4.51 0.00 2.23 2.21 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 126 G 8.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.00 4.14 0.00 4.05 4.14 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 0.00 0.00 0.00 0.00 128 S 8.02 4.13 0.00 4.02 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.57 3.51 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 1.20 0.00 0.00 0.44 0.00 0.00 130 A 8.18 4.00 1.46 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 0.00 0.00 131 V 7.61 3.49 2.23 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 0.96 0.00 0.00 0.98 0.00 0.00 132 A 7.99 3.92 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 0.00 133 I 8.05 3.73 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.84 1.16 0.00 0.00 134 Q 8.25 3.96 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 135 K 7.92 3.84 0.00 2.00 1.72 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.55 7.81 136 M 7.97 4.01 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.54 0.00 137 K 7.54 2.00 0.00 1.13 1.67 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.15 1.04 7.81 138 D 7.68 4.20 0.00 2.82 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 0.00 139 A 7.82 3.93 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 0.00 140 A 8.36 3.93 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 0.00 141 I 7.96 3.68 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.90 0.00 0.00 142 A 7.67 3.97 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 0.00 143 I 7.81 3.83 2.01 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 1.45 0.83 1.00 0.00 0.00 144 A 8.21 4.07 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 0.00 145 N 7.98 4.94 0.00 2.74 2.83 0.00 0.00 7.19 8.83 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 0.00 146 D 7.44 4.44 0.00 2.84 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.38 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 148 N 8.66 4.50 0.00 2.87 2.78 0.00 0.00 7.00 7.29 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 0.00 149 G 9.91 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 0.00 150 I 7.29 4.49 1.88 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 1.42 0.53 0.92 0.00 0.00 151 T 8.44 3.89 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 0.00 152 P 0.00 4.23 0.00 2.17 2.08 0.00 3.84 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 2.00 1.98 0.00 153 G 7.88 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 0.00 154 D 8.65 4.72 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.45 4.89 0.00 3.15 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 0.00 156 S 8.57 4.10 0.00 4.06 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 0.00 157 A 7.95 3.94 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 0.00 158 L 7.84 3.93 0.00 1.74 1.83 0.99 1.05 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 0.00 159 M 8.48 4.09 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.91 0.00 160 S 8.22 4.04 0.00 3.93 4.02 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 0.00 161 E 8.13 3.68 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.13 0.00 162 I 8.02 3.85 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.09 1.24 0.00 0.00 163 A 8.44 4.32 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 0.00 164 G 7.80 3.43 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 0.00 165 Y 7.40 4.33 0.00 2.96 2.78 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 0.00 166 F 8.18 4.17 0.00 3.30 3.08 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 0.00 167 D 8.56 4.42 0.00 2.86 2.75 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 0.00 168 R 8.23 3.89 0.00 2.15 2.19 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 169 A 8.32 4.01 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 0.00 170 A 8.41 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.22 3.94 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 0.00 172 A 8.03 4.11 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 0.00 173 V 7.47 4.31 2.34 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 1.14 0.00 0.00 1.18 0.00 0.00 174 A 8.16 4.31 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 * Residues marked with a * may have inaccurate shift predictions.