NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9953 8.3549 109.7365 45.9077 0.0000 171.3659 3 R 4.4252 8.3743 115.6961 56.5990 34.9690 174.4462 4 G 4.1992 8.6018 107.9488 43.3364 0.0000 172.6272 5 K 4.3926 7.4428 126.1287 58.0275 33.3836 178.4283 6 Q 2.9621 8.3717 121.2040 57.4900 26.4637 176.4731 7 G 4.3296 7.3554 111.7802 42.5688 0.0000 173.6851 8 G 4.4040 7.9420 117.1330 46.3416 0.0000 172.2019 9 K 4.5211 8.7661 115.7034 55.2109 36.9192 174.5113 10 A 4.7451 8.5977 124.2440 52.6772 25.9418 176.2986 11 R 4.7435 7.8945 113.0057 54.3742 34.0545 173.4553 12 A 4.4401 8.7555 122.0195 51.3979 19.0076 179.4484 13 K 4.4718 8.7094 116.5269 56.3032 36.1600 175.6703 14 A 4.3182 8.7616 122.3019 55.3620 21.3858 175.4291 15 K 4.0164 8.7153 124.0725 57.6978 30.5322 177.0908 16 S 4.3697 8.1143 118.9684 58.0925 64.9499 175.4435 17 R 3.9140 8.5121 122.5132 59.5198 29.8988 179.3902 18 S 4.1675 8.1368 114.7416 61.6779 62.9144 176.7610 19 S 4.1280 8.3315 116.9721 61.7331 62.4773 176.7625 20 R 3.9372 8.1087 120.6861 58.5235 29.8893 178.2392 21 A 4.3007 8.1941 118.8169 51.8451 18.9952 177.2391 22 G 3.7849 8.0352 105.0689 46.8572 0.0000 173.6824 23 L 4.8788 8.2527 118.0212 52.6288 44.8933 177.4076 24 Q 4.2157 10.3690 122.0121 58.8866 29.0825 177.4483 25 F 4.0802 8.7393 114.9746 57.0361 39.5899 174.5139 26 P 4.4767 0.0000 0.0000 62.2789 30.8364 177.4176 27 V 3.6957 8.8847 125.0603 66.2528 31.6723 177.4888 28 G 3.9069 8.2580 105.0156 48.2959 0.0000 175.2896 29 R 3.9557 7.9588 120.6643 58.9627 30.1135 178.5276 30 V 3.7123 7.9596 118.2273 66.0173 31.4438 177.6120 31 H 4.1843 8.5112 118.4517 59.2194 29.7794 177.1901 32 R 3.9095 8.1633 120.5295 59.5497 29.9234 178.4410 33 L 4.1393 8.4359 119.1578 57.8798 41.3806 179.5377 34 L 4.2520 8.1326 118.2942 57.7401 41.2580 179.6022 35 R 4.1726 8.1972 118.1580 59.3052 29.9455 179.2248 36 K 4.1841 8.4850 117.3591 59.0899 32.0946 179.0329 37 G 3.2318 8.1156 104.1913 44.5489 0.0000 172.7222 38 N 4.1089 7.3903 116.1887 54.6002 36.2593 174.3408 39 Y 4.4033 7.6752 115.0786 59.7583 39.4892 176.1417 40 A 4.5283 7.4169 118.6709 51.1875 21.8866 175.8259 41 E 4.1232 8.9588 119.3542 58.7766 29.6796 177.7985 42 R 4.7138 7.6593 114.6382 54.2317 33.8326 175.1548 43 V 4.2455 8.1334 118.3410 61.0634 33.7611 175.2189 44 G 3.8102 8.6247 116.3197 45.3092 0.0000 173.4526 45 A 4.1096 8.5809 123.3360 54.7212 18.8264 180.1068 46 G 3.7686 8.1049 102.1968 47.2228 0.0000 175.5462 47 A 4.0078 7.5606 122.4845 54.8998 18.3037 178.0489 48 P 4.3756 0.0000 0.0000 65.6550 31.3606 178.7969 49 V 3.5500 7.6264 117.7825 65.9973 31.7421 176.8454 50 Y 3.8386 8.6936 119.5539 60.8141 38.6837 177.9281 51 L 4.0541 8.7297 121.0500 58.2137 42.1637 178.8099 52 A 4.0515 8.3282 120.4323 55.2883 18.3277 179.4326 53 A 3.8705 8.2065 119.4307 55.2144 18.2545 180.1137 54 V 3.5886 7.6928 116.4890 66.1542 31.6631 178.3240 55 L 3.9079 7.7994 118.7334 57.5061 41.3314 179.0991 56 E 2.5400 7.5610 119.0999 58.9564 29.5754 178.0206 57 Y 3.9842 8.0459 119.8414 60.9244 38.8730 178.3645 58 L 3.5255 8.0770 119.9544 57.7343 41.6219 179.6442 59 T 3.7985 7.6913 115.6327 66.5833 68.4115 176.6113 60 A 3.9667 8.1346 122.9713 54.7741 18.3275 179.3554 61 E 3.7568 7.7753 118.1840 59.4813 29.5840 179.1568 62 I 3.7680 7.5766 119.7647 64.1592 37.0900 178.4289 63 L 3.8717 8.0328 120.0289 57.5260 41.4090 179.1036 64 E 3.9282 8.5118 119.6266 59.4481 29.6413 179.0076 65 L 4.0035 7.9703 118.7678 57.5477 41.6870 179.3216 66 A 4.2209 8.8198 121.7807 54.9246 18.2843 179.6202 67 G 3.7064 8.7145 105.0448 48.3316 0.0000 175.4915 68 N 4.3046 8.1359 119.0135 55.9284 38.4194 177.4379 69 A 4.0075 8.0895 121.8334 54.7600 18.2852 179.7080 70 A 3.4118 7.8316 119.5448 55.2255 18.4463 179.7081 71 R 3.7817 7.9929 117.2849 59.8262 29.8936 178.3656 72 D 4.4268 8.6118 117.9531 57.0568 40.7870 177.5081 73 N 4.7150 7.5352 114.6925 52.0208 39.1346 175.0672 74 K 3.9245 8.2666 118.6263 57.9048 30.0812 175.5735 75 K 4.6879 8.1709 116.1469 54.9902 35.3834 176.6124 76 T 4.2245 8.4721 115.1159 62.2930 68.5368 174.4018 77 R 4.4903 7.7023 121.3495 54.0008 31.1465 175.5421 78 I 3.9497 8.4422 127.1150 61.4695 37.8788 175.2735 79 I 4.5872 8.1336 117.4827 57.8492 40.5739 174.4458 80 P 4.2511 0.0000 0.0000 65.6175 30.7943 178.7388 81 R 3.8668 7.9177 117.1671 59.8915 29.8329 178.1590 82 H 4.2993 7.8512 115.4992 58.7420 28.6040 177.8063 83 L 3.9844 7.7766 120.4903 57.8329 41.5547 179.1733 84 Q 3.9597 8.5077 119.9753 59.0530 28.8497 178.1925 85 L 4.0226 8.2923 120.3568 57.4813 41.4195 179.3146 86 A 4.0021 8.0667 120.1717 55.1934 18.7488 179.4447 87 I 3.7704 7.9026 118.3736 64.8008 37.0824 179.0489 88 R 4.1837 7.9957 117.2175 58.6467 30.0250 177.4765 89 N 4.6261 7.7469 113.6356 53.3172 39.3198 174.6288 90 D 4.8169 7.6819 119.2614 52.1628 42.9656 175.8596 91 E 3.9232 8.7675 127.6079 59.6277 29.6455 178.7299 92 E 3.9676 8.1149 117.8055 59.4607 29.6854 178.9834 93 L 3.9533 9.1421 119.8799 57.9291 41.4137 179.2072 94 N 4.2913 8.0602 116.1645 56.2585 39.2247 176.7049 95 K 4.0831 7.7709 121.2262 59.3932 32.1394 178.6328 96 L 4.0495 8.0274 119.5986 57.3710 42.1022 177.8731 97 L 4.7620 8.0776 118.1124 54.6365 42.3404 178.7739 98 G 3.8198 7.8638 107.9888 46.6001 0.0000 174.0684 99 K 4.7394 7.9302 119.7440 56.0413 33.1633 176.1247 100 V 4.5009 7.6769 116.9352 61.0463 34.6965 174.2538 101 T 4.5135 8.3671 115.4727 59.7694 70.8358 173.4538 102 I 4.0743 8.2082 126.3140 59.5331 37.3443 175.1468 103 A 3.9910 8.5220 128.8040 53.7340 18.6392 176.5385 104 Q 3.5163 8.6355 118.5473 57.1101 26.4165 175.0447 105 G 3.8203 7.8383 107.3556 44.5550 0.0000 176.4405 106 G 3.8486 8.0086 107.5551 45.2874 0.0000 172.4692 107 V 4.5601 7.9167 111.7735 59.0295 35.7353 175.0325 108 L 4.1752 8.3015 121.5905 53.5980 42.0238 175.7367 109 P 4.1942 0.0000 0.0000 63.2410 31.5018 175.4052 110 N 4.2183 8.1782 115.7646 53.1516 41.0867 173.3018 111 I 4.4047 8.3431 127.1707 59.0634 39.2997 175.6233 112 Q 3.8802 8.8628 124.0146 56.4385 29.2402 177.2535 113 A 3.9698 8.9676 126.5783 55.5089 18.3699 179.7956 114 V 3.6162 7.8339 113.0441 64.1320 31.1920 176.7323 115 L 4.4066 7.8789 118.9905 54.8336 42.0931 176.8799 116 L 4.2533 7.8228 119.9725 53.2161 42.2355 175.2378 117 P 4.5116 0.0000 0.0000 63.0315 33.3496 176.3832 118 K 4.0129 8.9559 122.1648 57.1223 31.1957 182.1903 119 K 3.6087 9.8233 123.3846 58.1177 33.8549 174.9504 120 T 4.4829 8.0866 123.4769 61.3004 69.3317 173.2885 121 D 4.5836 8.5103 118.2348 52.3499 41.5543 174.0512 122 S 4.5809 8.2805 114.6914 57.3295 65.4938 169.3824 123 H 4.1932 8.7377 125.9633 55.5827 30.2425 173.9740 124 K 3.9786 8.4925 129.0066 56.9108 31.0981 176.5247 125 A 4.2088 7.6319 130.1863 50.4914 17.0880 178.3178 126 K 3.9789 7.7832 121.2644 56.3028 33.1608 175.5878 127 A 4.3698 7.4360 127.1457 53.1467 23.6521 176.1510 128 K 4.1403 8.1572 114.4818 57.3470 33.1790 175.8441 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 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.37 4.43 0.00 1.81 1.88 0.00 3.20 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 4 G 8.60 4.20 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 0.00 0.00 0.00 5 K 7.44 4.39 0.00 1.72 1.59 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 6 Q 8.37 2.96 0.00 2.11 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.31 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 7 G 7.36 4.33 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 0.00 8 G 7.94 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 0.00 0.00 0.00 0.00 9 K 8.77 4.52 0.00 1.70 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.43 7.81 10 A 8.60 4.75 1.23 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 0.00 0.00 11 R 7.89 4.74 0.00 1.79 1.83 0.00 3.33 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 12 A 8.76 4.44 1.04 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 0.00 0.00 13 K 8.71 4.47 0.00 1.78 1.74 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.14 7.81 14 A 8.76 4.32 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 15 K 8.72 4.02 0.00 1.92 2.04 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.40 7.81 16 S 8.11 4.37 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 3.91 0.00 1.91 2.05 0.00 3.19 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 18 S 8.14 4.17 0.00 3.89 4.17 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 19 S 8.33 4.13 0.00 4.04 4.13 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 20 R 8.11 3.94 0.00 1.95 2.05 0.00 3.17 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 21 A 8.19 4.30 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 22 G 8.04 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 23 L 8.25 4.88 0.00 1.60 1.76 0.95 0.81 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 24 Q 10.37 4.22 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 25 F 8.74 4.08 0.00 2.94 3.04 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 26 P 0.00 4.48 0.00 2.25 2.19 0.00 3.58 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.88 0.00 27 V 8.88 3.70 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 1.13 0.00 0.00 0.98 0.00 0.00 28 G 8.26 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 29 R 7.96 3.96 0.00 1.89 2.08 0.00 3.15 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 30 V 7.96 3.71 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 31 H 8.51 4.18 0.00 3.42 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.16 3.91 0.00 1.95 2.08 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 33 L 8.44 4.14 0.00 1.92 1.80 0.96 0.56 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 34 L 8.13 4.25 0.00 1.81 1.81 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.20 4.17 0.00 2.05 2.00 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 36 K 8.48 4.18 0.00 1.72 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.66 7.81 37 G 8.12 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 0.00 0.00 0.00 38 N 7.39 4.11 0.00 2.66 2.75 0.00 0.00 6.90 7.34 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 39 Y 7.68 4.40 0.00 3.01 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 40 A 7.42 4.53 1.29 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 0.00 0.00 0.00 41 E 8.96 4.12 0.00 1.98 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 2.32 2.29 0.00 42 R 7.66 4.71 0.00 1.76 1.81 0.00 3.17 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 V 8.13 4.25 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 0.78 0.00 0.00 1.01 0.00 0.00 44 G 8.62 3.81 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 0.00 0.00 0.00 45 A 8.58 4.11 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 46 G 8.10 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 47 A 7.56 4.01 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 48 P 0.00 4.38 0.00 2.27 2.22 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.59 0.00 49 V 7.63 3.55 2.32 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 1.10 0.00 0.00 0.95 0.00 0.00 50 Y 8.69 3.84 0.00 3.16 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 51 L 8.73 4.05 0.00 1.83 1.75 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.33 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.87 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 54 V 7.69 3.59 2.29 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 1.18 0.00 0.00 1.08 0.00 0.00 55 L 7.80 3.91 0.00 1.82 1.76 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.56 2.54 0.00 1.59 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 57 Y 8.05 3.98 0.00 3.05 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 58 L 8.08 3.53 0.00 1.60 1.58 0.94 0.61 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 59 T 7.69 3.80 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 60 A 8.13 3.97 1.23 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 0.00 0.00 61 E 7.78 3.76 0.00 1.60 1.78 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 2.15 2.28 0.00 62 I 7.58 3.77 1.82 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 1.48 0.66 0.89 0.00 0.00 63 L 8.03 3.87 0.00 1.72 1.70 0.95 0.68 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 64 E 8.51 3.93 0.00 1.99 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 0.00 2.28 2.38 0.00 65 L 7.97 4.00 0.00 1.73 1.68 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.82 4.22 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 67 G 8.71 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.14 4.30 0.00 2.87 2.87 0.00 0.00 6.98 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 69 A 8.09 4.01 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 70 A 7.83 3.41 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 71 R 7.99 3.78 0.00 1.87 2.08 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 72 D 8.61 4.43 0.00 2.77 2.72 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 73 N 7.54 4.71 0.00 2.66 2.86 0.00 0.00 7.04 7.99 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 74 K 8.27 3.92 0.00 1.88 1.88 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.53 7.81 75 K 8.17 4.69 0.00 1.83 1.70 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.54 7.81 76 T 8.47 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 77 R 7.70 4.49 0.00 1.81 1.83 0.00 3.31 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 78 I 8.44 3.95 1.90 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 1.48 0.65 0.95 0.00 0.00 79 I 8.13 4.59 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.55 0.90 0.00 0.00 80 P 0.00 4.25 0.00 2.32 2.22 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 81 R 7.92 3.87 0.00 1.87 1.82 0.00 3.21 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 1.63 1.76 0.00 82 H 7.85 4.30 0.00 3.41 3.46 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 83 L 7.78 3.98 0.00 1.85 1.72 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 8.51 3.96 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 85 L 8.29 4.02 0.00 1.87 1.71 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.07 4.00 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 87 I 7.90 3.77 1.91 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 1.51 1.31 0.91 0.00 0.00 88 R 8.00 4.18 0.00 2.02 2.00 0.00 3.20 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 89 N 7.75 4.63 0.00 2.79 2.85 0.00 0.00 6.79 7.92 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 90 D 7.68 4.82 0.00 2.88 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.77 3.92 0.00 2.07 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 2.38 2.42 0.00 92 E 8.11 3.97 0.00 2.06 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 2.41 2.41 0.00 93 L 9.14 3.95 0.00 1.68 1.71 0.88 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.06 4.29 0.00 2.97 3.05 0.00 0.00 7.19 6.10 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 95 K 7.77 4.08 0.00 1.97 1.91 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.59 7.81 96 L 8.03 4.05 0.00 1.66 1.85 0.93 1.24 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 97 L 8.08 4.76 0.00 1.71 1.64 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.86 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 0.00 0.00 0.00 99 K 7.93 4.74 0.00 1.71 1.77 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.38 7.81 100 V 7.68 4.50 2.28 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 0.82 0.00 0.00 0.94 0.00 0.00 101 T 8.37 4.51 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 102 I 8.21 4.07 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 1.35 1.10 0.91 0.00 0.00 103 A 8.52 3.99 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 0.00 104 Q 8.64 3.52 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 105 G 7.84 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 0.00 0.00 0.00 106 G 8.01 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 0.00 107 V 7.92 4.56 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 0.78 0.00 0.00 0.93 0.00 0.00 108 L 8.30 4.18 0.00 1.63 1.60 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.19 0.00 2.17 2.07 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 110 N 8.18 4.22 0.00 2.62 2.70 0.00 0.00 6.97 7.94 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 0.00 111 I 8.34 4.40 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 1.41 0.78 0.91 0.00 0.00 112 Q 8.86 3.88 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 113 A 8.97 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.83 3.62 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 0.76 0.00 0.00 0.93 0.00 0.00 115 L 7.88 4.41 0.00 1.64 1.74 0.92 1.24 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 0.00 116 L 7.82 4.25 0.00 1.70 1.59 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.51 0.00 2.17 2.06 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 118 K 8.96 4.01 0.00 1.77 1.35 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.40 7.81 119 K 9.82 3.61 0.00 1.82 1.75 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.36 7.81 120 T 8.09 4.48 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 121 D 8.51 4.58 0.00 2.79 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 0.00 122 S 8.28 4.58 0.00 3.99 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 0.00 123 H 8.74 4.19 0.00 3.30 3.42 0.00 5.95 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.49 3.98 0.00 1.72 1.72 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.46 7.81 125 A 7.63 4.21 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.78 3.98 0.00 1.80 2.17 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.32 7.81 127 A 7.44 4.37 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 0.00 128 K 8.16 4.14 0.00 1.68 1.65 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.49 7.81