NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0586 8.0544 120.3910 62.7578 32.8556 175.0132 2 H 4.0749 8.8910 120.4722 57.8744 29.8246 173.6776 3 L 4.8633 7.3341 117.0038 52.4960 45.4360 176.3171 4 T 4.1867 8.6621 112.8929 60.8059 70.7498 173.8119 5 P 4.2224 0.0000 0.0000 65.6411 31.2352 178.6171 6 E 4.1703 8.0665 115.6379 58.7347 29.8613 178.7501 7 E 3.8515 8.0464 119.8325 59.1663 29.4662 179.0561 8 K 3.7879 7.8336 118.4018 59.6633 32.2119 179.1561 9 S 4.0715 7.6019 113.4551 61.7069 62.7285 176.4200 10 A 3.9349 7.6397 122.6289 56.2205 18.0583 178.9667 11 V 2.8553 7.7564 115.5147 66.7534 31.0475 177.3900 12 T 3.9996 8.1832 114.3308 64.0264 69.3120 175.5704 13 A 4.4084 7.9243 123.7887 54.5666 18.8930 179.3292 14 L 3.9163 8.3191 117.9040 57.6779 41.5369 179.5252 15 W 4.4431 8.8343 127.5086 59.7610 30.6318 178.0820 16 G 3.8482 7.8368 104.9860 47.4693 0.0000 175.2380 17 K 4.4942 7.6645 119.3302 55.9742 32.0951 177.4232 18 V 4.3434 7.2220 111.1434 59.4936 33.5884 177.4086 19 N 4.5375 8.2366 123.1321 52.2770 36.6365 176.0127 20 V 3.3752 7.4456 113.0048 62.6609 32.6285 176.4574 21 D 4.8049 7.6757 118.0640 54.3278 42.6253 176.6416 22 E 4.0924 9.0507 120.2032 56.9119 29.0648 179.2109 23 V 3.3107 7.5268 117.7566 66.5560 32.6760 178.5470 24 G 4.5912 7.3534 105.2033 48.8677 0.0000 175.3007 25 G 3.7835 8.3076 108.1980 45.8155 0.0000 174.9428 26 E 4.0491 8.3956 122.0169 58.5771 29.6857 178.3347 27 A 3.9153 7.7885 120.4986 55.1920 18.6153 179.3052 28 L 4.0173 7.8845 118.4800 57.8838 42.0260 179.4306 29 G 3.4613 7.8577 105.5675 47.9594 0.0000 175.9680 30 R 3.8555 8.1780 121.6409 58.4510 30.0858 179.0177 31 L 4.0197 8.0563 120.3009 58.2327 41.5909 179.0943 32 L 4.4098 7.5433 119.8811 56.9034 41.2821 179.5287 33 V 3.6013 7.5252 117.6893 65.4936 31.6118 177.8850 34 V 3.5374 7.8968 117.2870 64.1126 32.9132 175.8632 35 Y 4.0199 6.8133 116.2200 54.4049 37.6259 174.0254 36 P 4.2900 0.0000 0.0000 65.3476 31.5346 178.2711 37 W 4.4818 8.2780 115.9866 59.2068 27.6099 177.8487 38 T 4.3318 7.7085 110.7929 64.4078 68.1983 176.4775 39 Q 4.1200 8.7361 121.9793 58.8157 28.4223 178.1075 40 R 3.8851 7.5743 119.2985 59.7828 29.9701 177.9190 41 F 4.2752 7.8807 115.6841 58.3753 40.0167 175.7332 42 F 4.6404 8.5655 117.7309 56.5042 39.3129 176.4379 43 E 4.2822 7.9139 121.1207 58.5566 30.2290 179.1814 44 S 4.5631 8.0434 111.1225 59.3687 63.2781 174.7922 45 F 4.5546 8.0440 119.1124 58.7858 39.5384 174.4203 46 G 3.7994 7.4090 104.8689 44.0497 0.0000 172.1003 47 D 4.5204 8.7006 121.3231 54.3163 41.5226 176.9822 48 L 4.8459 8.3762 126.0132 54.4934 42.6544 177.8723 49 S 4.2843 8.7585 116.7584 60.2052 63.4374 174.8998 50 T 4.6089 7.5646 111.7551 58.7290 71.8332 172.5108 51 P 4.1615 0.0000 0.0000 66.1373 31.4504 178.2356 52 D 4.3511 8.1978 116.4876 57.6579 40.5636 178.9295 53 A 4.0772 7.8999 119.3863 54.4695 18.3430 179.6875 54 V 3.7375 7.6245 117.2495 66.2799 31.5770 177.9827 55 M 4.1458 8.2334 117.5175 58.5662 31.9694 178.9358 56 G 3.7667 7.9573 103.9326 45.7163 0.0000 173.3758 57 N 4.1594 7.3766 120.1558 53.5428 39.5355 173.5616 58 P 4.3124 0.0000 0.0000 65.9042 31.1049 178.7796 59 K 3.6341 8.2266 118.3848 59.1653 31.3874 179.3842 60 V 3.7320 7.9327 117.8979 65.8945 30.8839 177.7165 61 K 4.1231 7.7524 116.2604 58.3807 32.0543 179.0919 62 A 4.0082 7.7634 120.9659 55.3664 18.4291 178.9943 63 H 4.5213 8.7658 113.8796 57.5280 29.0551 178.0842 64 G 3.7042 7.8008 107.8223 47.5369 0.0000 175.9062 65 K 4.1843 7.9153 120.0473 58.6062 31.9128 179.3718 66 K 4.0128 7.3990 119.2477 59.2703 32.3479 178.8857 67 V 3.8339 7.9727 118.6079 66.0571 31.5403 177.7976 68 L 4.6074 8.2987 119.3250 57.7922 41.8297 178.7580 69 G 3.7466 8.0809 105.2684 47.5734 0.0000 175.7196 70 A 4.0576 8.5256 123.5007 54.9025 18.4599 179.7502 71 F 4.1995 8.3802 116.0839 60.7704 39.0441 177.9641 72 S 4.1561 8.4139 115.2332 61.5368 62.5370 176.0324 73 D 4.4397 8.1190 119.5968 56.4193 40.6276 177.8304 74 G 3.9877 7.8166 106.2255 47.3960 0.0000 176.0038 75 L 4.0032 7.6997 120.0098 57.0322 41.5484 179.2037 76 A 4.1812 8.0320 120.5884 54.3413 19.7233 178.0564 77 H 4.9290 7.6304 112.7630 54.9047 28.6953 175.9060 78 L 4.1332 7.8921 113.6399 56.2850 41.9278 178.1186 79 D 4.6528 8.6244 120.1851 55.4408 42.6279 176.9756 80 N 5.0784 7.6470 115.5020 51.8445 38.6422 174.8619 81 L 4.2335 7.8650 121.4392 58.1401 41.8990 179.3296 82 K 4.0360 8.1193 118.3427 59.3175 32.6366 178.3034 83 G 3.8682 7.9976 104.6461 46.9208 0.0000 175.7454 84 T 4.0216 8.3867 117.3356 65.3561 67.2258 174.9993 85 F 4.6130 7.8536 118.1238 56.5692 39.8518 176.7747 86 A 3.9563 7.4580 123.2373 55.9536 17.8507 180.4832 87 T 3.8086 7.6975 105.9353 64.6122 68.9063 176.3183 88 L 3.9189 7.4403 120.5255 57.6277 41.9760 178.6779 89 S 4.2279 8.0731 112.9929 60.6932 62.3405 175.9016 90 E 3.8432 7.9096 121.1340 58.8390 29.2663 178.4322 91 L 3.9121 8.1030 120.6796 58.8286 42.1846 178.9814 92 H 4.1806 8.0202 115.7696 59.0166 28.1586 176.8555 93 C 4.0189 7.9226 120.8142 61.9686 31.1857 175.2287 94 D 4.2011 8.7091 121.5416 56.1189 41.0563 177.2308 95 K 4.3297 7.8888 115.5316 57.8758 34.2394 177.4678 96 L 4.0879 8.0848 116.9652 55.6360 41.7923 176.7967 97 H 4.3554 7.4400 113.9746 56.7685 26.5420 174.7993 98 V 3.4801 7.7857 118.8524 61.6506 32.3632 175.0021 99 D 4.2961 8.4231 126.8001 53.2421 41.9691 174.9383 100 P 2.9700 0.0000 0.0000 65.2807 31.8530 177.8355 101 E 3.7853 7.6942 117.6063 59.6294 29.2805 178.7561 102 N 4.3381 7.8230 115.9931 56.2630 38.5464 177.2664 103 F 4.5008 7.4576 119.3175 60.7625 39.0261 177.9086 104 R 4.0261 7.9604 117.1991 59.0699 29.7040 178.7899 105 L 3.9076 7.8780 118.8307 57.8818 41.6737 179.4595 106 L 4.1848 8.8199 120.6341 57.9782 41.9880 179.1612 107 G 3.7345 8.2497 105.8346 48.0042 0.0000 175.4957 108 N 4.5089 8.2000 118.3132 55.6986 38.5153 177.8595 109 V 3.6100 7.5299 119.9458 65.6904 31.5647 177.6393 110 L 3.7992 7.9433 120.1367 58.3495 41.8298 179.1072 111 V 3.4604 7.6891 117.9465 66.2088 31.2992 177.7980 112 C 4.1287 8.2051 116.5697 62.7340 27.8984 176.1125 113 V 3.5668 8.1448 120.1657 65.9973 31.0337 177.9397 114 L 3.8532 7.9177 118.5526 57.7768 41.2180 179.1639 115 A 3.8290 7.1166 119.7509 55.4660 18.2578 179.0188 116 H 4.3119 8.0194 116.0573 60.6381 30.2829 176.6489 117 H 3.9507 8.5996 119.0464 58.2670 28.2648 177.3329 118 F 4.3173 8.7688 114.2166 56.1289 38.8920 178.7596 119 G 3.7648 8.7802 110.4142 46.5721 0.0000 176.8266 120 K 4.2135 9.0747 128.5833 58.6808 32.5350 178.1165 121 E 4.1452 8.2107 118.6449 58.0319 29.7776 177.1835 122 F 4.7342 7.7100 121.7185 57.5882 37.9508 175.5526 123 T 4.2056 7.4397 115.4616 59.9275 71.3059 173.4951 124 P 4.1251 0.0000 0.0000 65.5764 31.3525 176.9136 125 P 4.1519 0.0000 0.0000 65.7071 31.4251 178.7523 126 V 3.4399 7.2996 116.9388 65.8282 31.2766 177.7796 127 Q 3.4150 7.7702 119.3146 59.0651 28.6848 178.1747 128 A 4.0515 7.8882 120.3755 55.1200 18.1539 179.1693 129 A 3.9942 7.9682 119.4339 55.3338 18.2866 179.4794 130 Y 3.8946 7.7796 114.8991 61.1470 38.2651 177.9881 131 Q 4.0663 8.6724 119.3509 58.7791 28.7232 179.5707 132 K 4.0274 7.6256 119.3498 59.2308 32.2143 179.4125 133 V 3.5890 7.6348 117.9769 66.0035 31.5338 178.2988 134 V 3.7804 8.2620 112.1521 64.5380 31.3327 178.0615 135 A 4.1531 7.9749 120.2687 55.4711 18.0551 180.0035 136 G 3.4644 8.1834 103.7101 47.9177 0.0000 175.9024 137 V 3.0262 7.9529 121.7801 65.3641 31.1552 177.8396 138 A 3.9360 8.1165 119.2608 55.1548 18.4934 178.8967 139 N 4.3840 7.8423 115.1910 56.8878 38.7388 176.7663 140 A 3.9996 8.4062 122.4933 55.1963 18.2316 178.8076 141 L 4.0062 8.0330 115.9569 56.1920 42.4427 177.4601 142 A 5.0895 8.2221 119.2544 52.6914 20.2270 177.1941 143 H 3.9327 7.9480 116.8849 59.2293 29.9436 176.5813 144 K 4.2027 7.7175 114.2818 57.4068 31.7942 176.7267 145 Y 4.5360 7.9926 116.2462 58.0996 38.0751 175.4868 146 H 4.6688 7.6588 122.3030 55.9955 28.9748 174.6905 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 V 8.05 4.06 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 0.95 0.00 0.00 0.92 0.00 0.00 2 H 8.89 4.07 0.00 3.22 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.33 4.86 0.00 1.59 1.47 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.66 4.19 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 1.22 0.00 0.00 5 P 0.00 4.22 0.00 2.16 2.12 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 6 E 8.07 4.17 0.00 2.13 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 2.32 2.31 0.00 7 E 8.05 3.85 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 2.24 2.28 0.00 8 K 7.83 3.79 0.00 2.02 1.83 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.61 7.81 9 S 7.60 4.07 0.00 4.04 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 7.64 3.93 1.22 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 0.00 0.00 11 V 7.76 2.86 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 0.82 0.00 0.00 0.41 0.00 0.00 12 T 8.18 4.00 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 1.22 0.00 0.00 13 A 7.92 4.41 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.92 0.00 2.18 1.95 -0.45 0.82 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 15 W 8.83 4.44 0.00 3.62 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 16 G 7.84 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 17 K 7.66 4.49 0.00 2.16 1.92 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.53 7.81 18 V 7.22 4.34 1.71 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 0.19 0.00 0.00 0.37 0.00 0.00 19 N 8.24 4.54 0.00 2.64 2.58 0.00 0.00 7.16 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 7.45 3.38 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 0.64 0.00 0.00 0.88 0.00 0.00 21 D 7.68 4.80 0.00 2.58 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 22 E 9.05 4.09 0.00 2.10 1.69 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 2.26 2.31 0.00 23 V 7.53 3.31 1.87 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 0.97 0.00 0.00 0.67 0.00 0.00 24 G 7.35 4.59 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 0.00 0.00 0.00 25 G 8.31 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 26 E 8.40 4.05 0.00 1.99 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 2.27 2.30 0.00 27 A 7.79 3.92 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 28 L 7.88 4.02 0.00 1.81 1.68 0.63 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.86 3.46 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 0.00 30 R 8.18 3.86 0.00 2.02 1.93 0.00 3.26 0.00 0.00 3.04 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 31 L 8.06 4.02 0.00 1.91 1.83 0.97 0.63 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 32 L 7.54 4.41 0.00 1.79 1.61 0.68 0.93 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 33 V 7.53 3.60 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 0.94 0.00 0.00 34 V 7.90 3.54 1.64 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 -0.57 0.00 0.00 0.71 0.00 0.00 35 Y 6.81 4.02 0.00 2.63 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 4.29 0.00 2.30 2.32 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.01 0.00 37 W 8.28 4.48 0.00 3.65 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 38 T 7.71 4.33 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 1.07 0.00 0.00 39 Q 8.74 4.12 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 40 R 7.57 3.89 0.00 1.64 1.94 0.00 2.99 0.00 0.00 2.90 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.42 0.00 41 F 7.88 4.28 0.00 2.80 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 42 F 8.57 4.64 0.00 2.74 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 0.00 0.00 0.00 43 E 7.91 4.28 0.00 2.00 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 0.00 2.39 2.24 0.00 44 S 8.04 4.56 0.00 4.10 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 45 F 8.04 4.55 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 46 G 7.41 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.52 0.00 2.67 2.61 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 48 L 8.38 4.85 0.00 1.80 1.61 1.01 1.04 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 49 S 8.76 4.28 0.00 3.98 4.01 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 50 T 7.56 4.61 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 4.16 0.00 2.14 2.13 0.00 3.59 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 2.17 0.00 52 D 8.20 4.35 0.00 2.67 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 53 A 7.90 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 54 V 7.62 3.74 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 1.03 0.00 0.00 0.99 0.00 0.00 55 M 8.23 4.15 0.00 1.96 2.10 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 2.61 2.84 0.00 56 G 7.96 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 57 N 7.38 4.16 0.00 2.99 2.90 0.00 0.00 6.77 7.51 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 58 P 0.00 4.31 0.00 2.23 2.25 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 59 K 8.23 3.63 0.00 0.80 0.74 0.00 1.11 0.00 0.00 1.32 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.14 1.14 7.81 60 V 7.93 3.73 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 1.11 0.00 0.00 61 K 7.75 4.12 0.00 1.99 1.81 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.58 7.81 62 A 7.76 4.01 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 63 H 8.77 4.52 0.00 3.53 3.65 0.00 5.82 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 7.80 3.70 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 0.00 0.00 0.00 65 K 7.92 4.18 0.00 1.85 1.88 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.51 7.81 66 K 7.40 4.01 0.00 2.05 2.01 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.52 7.81 67 V 7.97 3.83 2.40 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 1.25 0.00 0.00 1.15 0.00 0.00 68 L 8.30 4.61 0.00 2.01 1.90 0.93 1.00 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 69 G 8.08 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 70 A 8.53 4.06 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 71 F 8.38 4.20 0.00 3.47 3.07 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 S 8.41 4.16 0.00 4.24 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 0.00 73 D 8.12 4.44 0.00 2.85 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 7.82 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 75 L 7.70 4.00 0.00 1.49 1.50 -0.42 0.52 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 76 A 8.03 4.18 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 77 H 7.63 4.93 0.00 3.20 3.23 0.00 5.65 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 78 L 7.89 4.13 0.00 1.59 1.65 0.71 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.62 4.65 0.00 2.59 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 80 N 7.65 5.08 0.00 2.76 2.70 0.00 0.00 7.16 6.66 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 81 L 7.87 4.23 0.00 1.70 1.63 0.77 0.76 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 82 K 8.12 4.04 0.00 1.71 1.81 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.40 7.81 83 G 8.00 3.87 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 0.00 0.00 0.00 84 T 8.39 4.02 4.42 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 0.77 0.00 0.00 85 F 7.85 4.61 0.00 2.98 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 86 A 7.46 3.96 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 87 T 7.70 3.81 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 1.19 0.00 0.00 88 L 7.44 3.92 0.00 1.68 1.78 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.07 4.23 0.00 4.12 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 90 E 7.91 3.84 0.00 2.13 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 2.33 2.55 0.00 91 L 8.10 3.91 0.00 1.83 1.83 0.84 1.32 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 92 H 8.02 4.18 0.00 3.43 3.79 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 7.92 4.02 0.00 1.23 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.20 0.00 2.67 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 95 K 7.89 4.33 0.00 1.87 1.73 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.32 7.81 96 L 8.08 4.09 0.00 1.69 1.62 0.64 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.44 4.36 0.00 3.40 3.55 0.00 5.66 0.00 0.00 0.00 0.00 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.79 3.48 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 0.33 0.00 0.00 -0.00 0.00 0.00 99 D 8.42 4.30 0.00 2.77 2.39 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 0.00 100 P 0.00 2.97 0.00 1.86 1.71 0.00 3.29 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.44 0.00 101 E 7.69 3.79 0.00 2.13 1.87 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 2.22 2.43 0.00 102 N 7.82 4.34 0.00 2.65 2.85 0.00 0.00 7.04 8.13 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 0.00 103 F 7.46 4.50 0.00 3.07 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 0.00 104 R 7.96 4.03 0.00 2.08 1.99 0.00 3.10 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 105 L 7.88 3.91 0.00 1.68 1.58 0.76 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.82 4.18 0.00 1.86 1.86 1.03 1.44 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 0.00 107 G 8.25 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.51 0.00 2.98 2.95 0.00 0.00 6.67 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 0.00 109 V 7.53 3.61 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 0.93 0.00 0.00 1.15 0.00 0.00 110 L 7.94 3.80 0.00 1.74 1.63 -0.09 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.69 3.46 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 1.39 0.00 0.00 1.13 0.00 0.00 112 C 8.21 4.13 0.00 3.19 2.95 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 0.00 113 V 8.14 3.57 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 1.05 0.00 0.00 0.99 0.00 0.00 114 L 7.92 3.85 0.00 0.95 0.83 0.34 1.10 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 0.00 115 A 7.12 3.83 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.31 0.00 3.20 3.53 0.00 5.78 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 0.00 117 H 8.60 3.95 0.00 3.22 2.60 0.00 5.87 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 0.00 118 F 8.77 4.32 0.00 3.17 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 0.00 119 G 8.78 3.76 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 0.00 0.00 0.00 120 K 9.07 4.21 0.00 1.90 1.92 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.47 7.81 121 E 8.21 4.15 0.00 2.09 2.37 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 2.44 2.35 0.00 122 F 7.71 4.73 0.00 3.05 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 7.44 4.21 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 1.29 0.00 0.00 124 P 0.00 4.13 0.00 2.13 2.14 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 2.11 2.20 0.00 125 P 0.00 4.15 0.00 2.08 2.05 0.00 3.47 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 126 V 7.30 3.44 1.73 0.00 0.00 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 0.87 0.00 0.00 127 Q 7.77 3.42 0.00 1.74 2.08 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 2.42 2.53 0.00 128 A 7.89 4.05 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 0.00 129 A 7.97 3.99 1.19 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 0.00 0.00 130 Y 7.78 3.89 0.00 3.34 3.07 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 0.00 131 Q 8.67 4.07 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 132 K 7.63 4.03 0.00 1.90 1.87 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.71 7.81 133 V 7.63 3.59 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 1.15 0.00 0.00 0.85 0.00 0.00 134 V 8.26 3.78 2.20 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 0.80 0.00 0.00 1.09 0.00 0.00 135 A 7.97 4.15 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 0.00 136 G 8.18 3.46 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 0.00 137 V 7.95 3.03 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 -0.26 0.00 0.00 0.81 0.00 0.00 138 A 8.12 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 0.00 139 N 7.84 4.38 0.00 2.89 2.94 0.00 0.00 7.12 8.45 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 0.00 140 A 8.41 4.00 1.25 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 0.00 0.00 0.00 141 L 8.03 4.01 0.00 1.15 0.83 0.41 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.22 5.09 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 0.00 143 H 7.95 3.93 0.00 3.27 3.38 0.00 5.78 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 0.00 144 K 7.72 4.20 0.00 1.68 1.69 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.51 7.81 145 Y 7.99 4.54 0.00 3.03 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 0.00 146 H 7.66 4.67 0.00 3.20 3.19 0.00 5.70 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