NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6275 8.4293 116.1950 55.1426 30.3537 173.2908 2 C 4.0814 7.6418 114.1553 56.9826 30.1381 172.1854 3 D 4.5877 8.3497 118.6552 55.0070 40.1648 175.4405 4 L 4.0731 8.0302 120.4178 57.1451 42.2361 175.7594 5 P 4.5478 0.0000 0.0000 62.3433 32.2758 175.3760 6 C 4.3048 8.4542 113.3883 57.7228 30.7181 175.0161 7 G 3.9227 8.2448 107.4928 45.4409 0.0000 172.8987 8 V 4.2993 7.2216 119.1837 61.0849 32.6732 174.3829 9 Y 4.7261 8.1019 123.5517 56.7100 42.1045 174.3961 10 D 3.7229 7.9002 118.5853 51.6693 44.0159 174.6375 11 P 4.1246 0.0000 0.0000 64.4319 31.1516 178.0271 12 A 4.0019 8.5263 120.8988 55.1580 17.6354 179.5636 13 Q 3.7739 7.9446 116.3258 59.0970 28.7727 179.0451 14 A 4.0491 7.7658 121.1290 55.0381 18.4462 179.3681 15 R 3.8393 8.0605 117.2360 59.7594 30.2178 178.7336 16 I 3.8639 8.0024 119.7663 64.5881 37.0946 178.3567 17 E 4.0013 7.9879 118.2998 59.3079 29.2904 179.2664 18 A 4.0744 8.2439 120.8955 55.0448 18.3320 179.5712 19 E 3.9538 8.5054 117.7578 59.6966 29.4282 179.7070 20 S 4.1260 8.0039 115.2022 61.3411 62.8367 176.8079 21 V 3.5606 7.7469 121.0202 66.0208 31.3267 178.0798 22 K 4.1429 8.1239 119.0774 59.3977 32.0403 178.5519 23 A 4.0327 8.2388 121.2353 55.2974 18.2542 179.7106 24 I 3.7344 8.1420 118.6118 64.5964 37.0114 178.6774 25 Q 4.0199 8.1616 118.9701 59.0010 28.3240 178.7218 26 E 4.0107 8.3654 119.6006 59.4464 29.3737 179.6265 27 K 4.0066 8.1820 118.4913 59.6968 31.8900 179.3968 28 M 4.3908 8.3136 118.2307 58.2579 31.8986 178.3373 29 A 4.1398 7.8846 119.7782 54.3949 18.6176 178.6858 30 A 4.5759 7.3901 117.2781 51.7433 19.4799 176.4773 31 N 4.6949 7.7157 115.2220 51.9047 40.1914 173.2479 32 D 4.7472 8.6316 124.5446 53.2115 40.1714 176.6706 33 D 4.4075 8.4329 120.8712 54.4985 42.4216 176.0702 34 L 3.9362 8.7159 128.6163 59.0609 42.1038 179.0030 35 H 4.1502 8.3230 115.2847 58.6844 28.6713 177.5233 36 F 4.1622 8.6496 122.6821 61.3677 39.2619 177.1838 37 Q 3.9731 8.4949 117.9619 58.9194 28.4270 179.0585 38 I 3.6277 7.8707 120.7303 64.4679 37.1407 178.6643 39 R 3.8138 8.0124 118.6666 59.2388 29.8012 179.0258 40 A 3.7086 7.9845 120.7831 55.2273 18.2555 179.8967 41 T 3.7223 7.7608 114.2510 66.6189 68.6004 176.9866 42 V 3.5449 7.7872 120.1560 66.2610 31.4946 178.2135 43 I 3.9799 7.8271 120.9097 63.6585 36.8619 178.3329 44 K 3.8773 8.2804 120.8481 59.3368 31.9636 178.3880 45 E 3.8936 8.2061 119.5893 59.4285 29.6562 178.9105 46 Q 3.9731 7.8823 117.4728 59.1633 28.8061 179.0565 47 R 4.0659 8.2962 119.0198 59.0123 30.0391 178.9820 48 A 4.0151 8.2773 120.9764 54.9738 18.3278 179.2760 49 E 3.8735 8.2267 117.9619 59.4113 29.6532 179.0887 50 L 3.9389 7.9601 118.8071 57.6576 41.6609 179.2907 51 A 4.0576 8.1744 120.7403 55.1621 18.2626 179.8262 52 K 3.9187 8.2534 117.0451 59.7705 32.0741 178.9945 53 H 4.1593 8.3699 118.4945 59.7336 29.9297 176.9977 54 H 4.1972 8.3002 118.0186 58.9038 28.5068 177.8737 55 L 4.1039 8.0655 120.8329 57.8613 41.4368 179.1545 56 D 4.5543 8.5656 119.3532 57.4830 40.6969 179.0978 57 V 3.7592 8.1002 118.8147 65.9383 31.4586 178.1055 58 L 3.9277 7.9862 118.4259 57.4904 41.2525 179.3355 59 W 4.6282 8.4626 127.4514 60.6755 30.8310 177.7912 60 S 4.0524 8.8031 113.2954 60.3519 62.8870 175.0973 61 D 4.7281 8.2868 120.8528 55.8932 41.9046 177.4104 62 Y 3.4663 7.5120 118.2277 60.1747 39.0099 175.7006 63 F 4.0658 7.9577 118.2831 57.2523 39.5474 175.0923 64 K 4.6097 8.1708 123.4981 53.4826 35.3138 175.1495 65 P 4.4783 0.0000 0.0000 65.9410 31.0820 177.1144 66 P 4.2598 0.0000 0.0000 65.8519 31.0898 178.4279 67 H 4.3586 8.0403 115.1245 58.9156 28.4172 177.8652 68 F 4.2860 7.7495 117.8108 59.9783 38.8124 177.0004 69 E 4.1396 7.9187 118.8170 59.4171 29.6017 178.6464 70 S 4.2345 8.0116 113.9431 59.9610 64.0750 174.0439 71 Y 4.6812 7.9574 119.9581 54.6976 37.7638 174.1546 72 P 4.5225 0.0000 0.0000 64.5141 31.8818 177.8294 73 E 4.3926 8.1057 116.2356 56.7434 30.7595 177.6749 74 L 3.8914 8.2461 122.6257 58.7333 42.0728 178.2637 75 H 4.4227 8.3886 115.4763 59.4550 28.7061 177.6851 76 T 3.8111 7.9322 116.7726 66.4402 68.3174 176.1718 77 L 3.8807 8.1332 122.4895 58.3181 42.1271 179.3229 78 V 3.5395 7.9486 118.1961 65.8553 31.4315 177.4952 79 N 4.0733 8.0816 116.9256 56.5195 38.6483 176.7784 80 E 3.7422 8.3769 120.2845 59.0020 29.4043 179.0903 81 A 4.0278 7.6713 120.7803 55.4596 18.5370 180.2332 82 V 3.6169 7.7934 110.8147 64.3744 31.5490 179.0599 83 K 4.0099 8.1208 118.2238 59.1620 31.8355 179.2739 84 A 4.0946 8.3091 121.6799 55.0899 18.2917 179.7072 85 L 4.0178 7.9300 117.6694 57.9398 41.2971 179.8351 86 S 4.1309 8.1692 115.0752 61.4921 62.5096 176.5790 87 A 4.0007 7.9290 122.4694 55.0554 18.3956 179.2513 88 A 4.1657 8.0385 120.7049 54.5879 18.1797 179.9112 89 K 3.9042 7.9351 116.1971 59.3162 32.1801 178.3524 90 A 4.4981 7.3382 117.6599 51.1711 18.9938 176.6202 91 S 4.6666 7.3818 112.6776 57.5302 65.5953 173.9033 92 T 4.3867 8.3761 113.1650 61.2268 69.4477 173.5457 93 D 4.5738 8.2476 124.1212 53.0567 41.3839 175.1228 94 P 4.6699 0.0000 0.0000 64.7392 31.2292 178.3116 95 A 4.0062 8.5696 120.3373 55.1264 17.7050 179.7421 96 T 3.9845 8.2482 108.8729 64.8873 68.9421 177.2801 97 G 3.6055 8.1190 108.1956 47.5361 0.0000 175.3387 98 Q 3.9925 8.3304 122.0478 58.6643 29.0254 178.1758 99 K 3.8828 8.1282 120.6955 59.2521 32.1538 178.6390 100 A 4.1160 7.8766 120.5720 55.3336 18.3563 179.6064 101 L 3.9581 7.9633 117.4578 57.9455 41.5195 179.5322 102 D 4.3163 8.2072 119.1472 57.6607 40.6889 178.5093 103 Y 4.3986 7.7928 117.1684 61.1763 37.8608 178.4601 104 I 3.7637 8.2406 120.7861 64.3396 37.1846 178.3438 105 A 4.1663 8.2716 121.7106 55.2360 18.3023 179.7650 106 Q 4.0520 7.9864 116.4823 59.1017 28.7334 178.9073 107 I 3.7877 8.1394 121.1465 64.3149 37.1613 177.9017 108 D 4.4090 8.6992 119.4221 57.1951 41.0913 178.2111 109 K 4.1132 8.2641 120.1132 59.7497 32.2609 178.8848 110 I 3.4932 7.6977 119.6905 64.0211 36.6937 177.9638 111 F 4.0328 8.3941 120.9700 61.4298 39.5964 177.1912 112 W 4.1893 8.3625 118.0166 59.4893 28.9158 178.4904 113 E 4.1543 8.2472 119.2266 59.4215 28.6956 179.0745 114 T 4.1332 7.7941 108.4409 63.7728 69.0131 176.0951 115 K 4.1521 7.4862 119.9052 57.8102 32.3875 178.4084 116 K 4.2561 7.6621 117.8369 58.4507 32.4700 176.5362 117 A 4.1959 7.9190 125.1096 52.3809 18.4547 176.8944 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 H 8.43 4.63 0.00 3.26 3.24 0.00 5.48 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.64 4.08 0.00 3.10 2.91 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 3 D 8.35 4.59 0.00 2.88 2.85 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 4 L 8.03 4.07 0.00 1.59 1.74 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.55 0.00 2.28 2.09 0.00 3.81 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 1.99 1.97 0.00 6 C 8.45 4.30 0.00 3.00 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 7 G 8.24 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.22 4.30 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 0.87 0.00 0.00 0.91 0.00 0.00 9 Y 8.10 4.73 0.00 2.77 2.38 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 10 D 7.90 3.72 0.00 2.58 2.36 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 11 P 0.00 4.12 0.00 2.31 1.90 0.00 3.05 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 12 A 8.53 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 13 Q 7.94 3.77 0.00 1.82 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 14 A 7.77 4.05 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 15 R 8.06 3.84 0.00 1.90 2.08 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 16 I 8.00 3.86 1.86 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 1.52 0.98 0.91 0.00 0.00 17 E 7.99 4.00 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 18 A 8.24 4.07 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 19 E 8.51 3.95 0.00 2.21 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 2.34 2.55 0.00 20 S 8.00 4.13 0.00 4.08 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 21 V 7.75 3.56 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 1.00 0.00 0.00 0.96 0.00 0.00 22 K 8.12 4.14 0.00 1.89 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.60 7.81 23 A 8.24 4.03 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 24 I 8.14 3.73 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.89 0.00 0.00 25 Q 8.16 4.02 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 26 E 8.37 4.01 0.00 2.23 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 2.34 2.52 0.00 27 K 8.18 4.01 0.00 2.21 2.14 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.75 7.81 28 M 8.31 4.39 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.50 0.00 29 A 7.88 4.14 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 30 A 7.39 4.58 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 31 N 7.72 4.69 0.00 2.27 2.36 0.00 0.00 7.15 9.28 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 32 D 8.63 4.75 0.00 2.85 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 33 D 8.43 4.41 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.72 3.94 0.00 1.79 1.65 0.89 1.02 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 35 H 8.32 4.15 0.00 3.48 3.40 0.00 5.87 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 36 F 8.65 4.16 0.00 3.18 3.26 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 0.00 0.00 0.00 0.00 37 Q 8.49 3.97 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 38 I 7.87 3.63 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.88 0.00 0.00 39 R 8.01 3.81 0.00 1.80 1.88 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 40 A 7.98 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.76 3.72 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 1.18 0.00 0.00 42 V 7.79 3.54 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 1.00 0.00 0.00 0.93 0.00 0.00 43 I 7.83 3.98 1.80 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 1.36 0.92 0.89 0.00 0.00 44 K 8.28 3.88 0.00 1.82 1.97 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.21 3.89 0.00 2.29 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 2.29 2.39 0.00 46 Q 7.88 3.97 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 47 R 8.30 4.07 0.00 1.81 2.10 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 48 A 8.28 4.02 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 49 E 8.23 3.87 0.00 2.18 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 2.29 2.38 0.00 50 L 7.96 3.94 0.00 1.94 1.70 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.17 4.06 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 52 K 8.25 3.92 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.63 7.81 53 H 8.37 4.16 0.00 3.21 3.42 0.00 5.79 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 54 H 8.30 4.20 0.00 3.36 3.28 0.00 5.67 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 55 L 8.07 4.10 0.00 1.89 1.76 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.57 4.55 0.00 2.90 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 57 V 8.10 3.76 2.30 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 1.33 0.00 0.00 0.86 0.00 0.00 58 L 7.99 3.93 0.00 2.10 1.71 0.79 0.16 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 W 8.46 4.63 0.00 3.45 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.80 4.05 0.00 4.06 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.29 4.73 0.00 2.99 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 62 Y 7.51 3.47 0.00 1.43 2.42 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 63 F 7.96 4.07 0.00 2.92 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 0.00 0.00 0.00 64 K 8.17 4.61 0.00 1.47 1.57 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.14 7.81 65 P 0.00 4.48 0.00 2.15 2.17 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 66 P 0.00 4.26 0.00 1.97 2.03 0.00 3.37 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 67 H 8.04 4.36 0.00 2.96 3.14 0.00 5.64 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 68 F 7.75 4.29 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 4.14 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 70 S 8.01 4.23 0.00 3.83 3.37 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 71 Y 7.96 4.68 0.00 2.98 2.90 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 0.00 0.00 0.00 72 P 0.00 4.52 0.00 2.21 2.22 0.00 3.81 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 2.02 1.97 0.00 73 E 8.11 4.39 0.00 2.18 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 0.00 2.36 2.29 0.00 74 L 8.25 3.89 0.00 1.83 1.89 0.54 -0.36 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 75 H 8.39 4.42 0.00 3.27 3.35 0.00 5.68 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 76 T 7.93 3.81 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 1.16 0.00 0.00 77 L 8.13 3.88 0.00 1.79 1.81 0.94 1.06 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 78 V 7.95 3.54 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 0.94 0.00 0.00 1.16 0.00 0.00 79 N 8.08 4.07 0.00 2.74 2.75 0.00 0.00 7.20 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 80 E 8.38 3.74 0.00 1.40 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 81 A 7.67 4.03 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 82 V 7.79 3.62 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 0.91 0.00 0.00 0.85 0.00 0.00 83 K 8.12 4.01 0.00 1.96 1.83 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.47 7.81 84 A 8.31 4.09 1.58 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 85 L 7.93 4.02 0.00 1.90 1.74 0.96 0.94 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 86 S 8.17 4.13 0.00 4.05 3.90 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 0.00 0.00 0.00 87 A 7.93 4.00 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 88 A 8.04 4.17 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 89 K 7.94 3.90 0.00 1.97 2.02 0.00 1.69 0.00 0.00 1.94 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 90 A 7.34 4.50 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 91 S 7.38 4.67 0.00 3.80 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 92 T 8.38 4.39 4.26 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 0.00 0.00 0.00 1.21 0.00 0.00 93 D 8.25 4.57 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.67 0.00 2.20 2.11 0.00 3.94 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 95 A 8.57 4.01 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 96 T 8.25 3.98 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 97 G 8.12 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.33 3.99 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 99 K 8.13 3.88 0.00 1.98 1.91 0.00 1.25 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.42 1.32 7.81 100 A 7.88 4.12 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 0.00 101 L 7.96 3.96 0.00 1.89 1.73 0.97 1.15 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 0.00 102 D 8.21 4.32 0.00 2.54 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 0.00 103 Y 7.79 4.40 0.00 3.21 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 I 8.24 3.76 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.94 0.00 0.00 105 A 8.27 4.17 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 0.00 106 Q 7.99 4.05 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.72 0.00 107 I 8.14 3.79 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 1.07 0.00 0.00 108 D 8.70 4.41 0.00 2.95 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 0.00 109 K 8.26 4.11 0.00 2.05 2.03 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.58 7.81 110 I 7.70 3.49 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.65 -0.05 0.00 0.00 111 F 8.39 4.03 0.00 2.89 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 0.00 112 W 8.36 4.19 0.00 3.57 3.28 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 0.00 113 E 8.25 4.15 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 114 T 7.79 4.13 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 1.33 0.00 0.00 115 K 7.49 4.15 0.00 2.05 1.98 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.27 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.67 0.84 7.81 116 K 7.66 4.26 0.00 1.98 1.91 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.74 7.81 117 A 7.92 4.20 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00