NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3743 8.3044 120.3208 55.8363 33.8234 174.9584 2 H 4.6915 8.4222 119.2332 54.7719 29.3191 172.7599 3 L 4.6981 8.0181 120.6656 53.5670 44.8163 177.4237 4 T 4.1325 8.0577 119.6731 62.4359 70.4434 174.2117 5 P 3.9929 0.0000 0.0000 66.2150 31.2975 178.8455 6 E 3.9588 8.0505 116.5623 59.4107 29.5121 179.0908 7 E 3.9759 7.9113 118.2212 59.0376 29.6032 179.2636 8 K 3.8639 8.7933 119.9605 59.5190 32.1764 179.5718 9 S 4.1405 8.2639 114.3263 61.2045 62.6257 176.4555 10 A 3.9750 7.8390 124.1207 55.0553 18.1511 179.3293 11 V 3.3867 7.5884 116.5632 66.4791 31.0547 177.9599 12 T 3.9190 7.9640 114.8266 67.0804 68.2700 176.4389 13 A 4.1793 7.9532 120.6588 54.6726 18.6321 179.1023 14 L 3.9807 7.9063 119.1403 57.8269 42.1897 178.6281 15 W 4.3637 8.6257 128.5970 60.6220 30.3528 178.0452 16 G 3.7499 7.8325 103.6046 47.3684 0.0000 174.7656 17 K 4.3769 7.8546 117.7859 55.5660 32.8084 176.7591 18 V 3.8353 7.0886 120.2954 61.7959 32.3776 175.7563 19 N 4.5666 8.1519 125.0196 52.1576 39.0812 175.5657 20 V 3.4869 8.0354 128.4878 65.6644 31.5617 177.3207 21 D 4.3277 8.0523 118.3673 57.4269 40.8178 178.4461 22 E 3.9457 8.5484 118.9399 59.5254 29.6003 179.6750 23 V 3.6045 8.0029 118.6401 65.6442 31.5872 178.3502 24 G 3.6945 8.4196 106.2311 47.7206 0.0000 176.0304 25 G 3.6219 7.8287 108.6971 47.3942 0.0000 175.5047 26 E 3.9355 8.2010 121.6843 58.7410 29.6755 178.7327 27 A 3.9307 8.0266 120.7971 55.2014 18.6149 179.4100 28 L 4.0513 7.8525 118.5254 58.1879 42.2211 179.4539 29 G 3.5949 8.1906 105.7698 47.8832 0.0000 175.9238 30 R 3.9165 8.3417 121.0988 58.6504 30.0102 178.7484 31 L 3.9883 7.9456 120.1371 58.4586 42.0152 179.2708 32 L 3.9932 7.8794 118.2732 57.1575 41.1968 179.5052 33 V 3.6936 7.1352 116.9346 65.2420 31.8898 177.9221 34 V 3.4688 7.8563 117.0790 64.5860 32.8488 175.9543 35 Y 3.7581 6.9960 117.1144 54.0548 37.4108 173.9949 36 P 4.5538 0.0000 0.0000 64.9937 31.2715 178.2425 37 W 4.4112 8.0190 115.3415 58.8297 27.8735 177.6284 38 T 4.2396 7.8759 110.9082 63.6301 68.3340 175.7932 39 Q 4.1443 8.0772 121.4398 57.4952 28.5301 177.8354 40 R 3.8695 7.4684 116.9693 58.2883 29.3874 177.7126 41 F 4.6349 7.4364 116.0824 57.0987 40.8869 175.3771 42 A 4.1713 7.4892 121.8113 51.0697 18.7012 177.5877 43 E 4.1112 7.9174 124.0876 59.3026 30.3497 179.8806 44 S 4.4438 8.0096 110.9974 59.9273 63.3692 175.0108 45 F 4.4897 7.8309 119.2305 59.0409 39.8612 175.3426 46 G 3.9955 7.2183 105.2785 44.3844 0.0000 174.9563 47 D 4.6193 8.7735 127.1681 53.7191 40.1218 175.7775 48 L 4.9027 8.2246 127.4921 54.6517 42.9430 179.0645 49 S 4.3389 8.2446 117.3485 60.9832 63.2151 175.1124 50 T 4.7260 7.3659 110.2744 58.2085 72.9704 172.5812 51 P 4.1873 0.0000 0.0000 66.2984 31.3645 178.3059 52 D 4.3466 8.1935 116.3732 57.7039 40.5876 178.9670 53 A 4.0918 8.3235 119.7386 54.3605 18.4526 179.5940 54 V 3.8137 7.7163 117.1221 66.3100 31.6825 178.1789 55 M 4.1987 8.5586 117.2586 58.0025 31.7904 178.3714 56 G 3.9597 7.8861 104.6442 45.0752 0.0000 173.4804 57 N 4.3782 7.5683 120.6801 52.9981 39.2713 173.7764 58 P 4.3283 0.0000 0.0000 65.7747 31.4328 178.6142 59 K 3.7337 8.3379 118.6851 58.9287 31.7192 179.5382 60 V 3.8795 7.9276 118.1822 66.0960 31.5695 178.0629 61 K 3.9525 8.0737 118.0740 59.5318 31.5919 179.1920 62 A 4.0899 8.1769 120.9106 55.0501 18.3599 179.1833 63 H 4.3942 8.3153 117.2466 59.2267 29.9826 177.6813 64 G 3.6685 8.4252 107.9123 47.7180 0.0000 175.6182 65 K 4.0693 7.9768 121.7238 58.8670 32.1744 179.0099 66 K 4.0038 7.7282 120.0241 59.2539 32.1649 179.0709 67 V 3.5708 7.8448 118.4635 66.2189 31.5284 178.1774 68 L 4.3742 8.2265 118.5117 57.5948 41.3578 179.1755 69 G 3.8085 8.1832 105.7836 47.7372 0.0000 175.2628 70 A 4.1439 8.1726 124.0614 54.4938 18.7993 179.3248 71 F 4.3089 8.4890 118.8885 61.6133 39.4437 176.9917 72 S 4.2584 9.1305 113.3295 62.0441 62.0935 176.1208 73 D 4.5352 8.4346 121.1469 56.9926 40.5110 178.8862 74 G 3.5300 8.0264 106.2708 47.0556 0.0000 175.0017 75 L 4.0172 7.2568 118.7919 55.5688 41.7675 177.6832 76 A 4.5573 7.4896 119.7091 52.0314 20.0784 176.4015 77 H 4.8264 7.9683 115.4751 54.7908 30.0151 175.1223 78 L 3.8930 8.1737 121.8664 57.2991 42.1134 176.6841 79 D 4.7995 7.4942 116.0302 54.0802 41.9867 176.3364 80 N 4.6628 7.8447 113.9643 52.1853 41.2735 175.1929 81 L 4.0431 7.5017 122.5175 57.2692 41.8172 178.8216 82 K 3.9582 8.1498 119.5446 59.8235 31.9044 178.9554 83 G 3.6380 8.0645 104.3565 47.9579 0.0000 175.4750 84 T 3.8062 7.4354 116.8644 65.5162 68.5785 175.9371 85 F 4.8111 8.1811 117.7407 57.0725 39.2116 177.2995 86 A 4.0582 7.5747 121.9384 56.0417 18.1934 180.6969 87 T 3.8648 7.8498 113.3207 66.6225 68.5974 176.6676 88 L 4.0979 7.9510 121.9519 57.9980 42.3229 178.8266 89 S 4.4850 8.4738 115.0691 60.9508 62.3137 176.0100 90 E 3.8978 8.2033 121.3538 59.1496 29.1225 178.9432 91 L 3.9068 7.9700 120.3477 58.7314 42.1788 178.8998 92 H 4.1695 8.3509 115.9566 59.0317 28.7455 177.0560 93 C 3.5257 7.6259 120.2948 62.1961 31.1684 175.3490 94 D 4.4436 8.3467 121.0912 56.0689 40.5691 177.3586 95 K 4.3405 7.8977 117.1219 57.7226 33.7536 177.5207 96 L 4.1950 7.7710 116.1228 55.1811 42.2936 176.2275 97 H 4.2049 7.2197 113.2675 56.6502 26.6062 175.0527 98 V 3.7433 7.7644 118.3859 61.2519 32.5370 174.7846 99 D 4.4059 8.6259 127.2452 53.4048 41.8067 175.0070 100 P 3.2960 0.0000 0.0000 64.8770 31.7575 177.9760 101 E 3.8997 8.2977 118.8329 59.0525 29.2673 178.3572 102 N 4.2558 7.9477 116.7580 56.2083 38.6002 177.2537 103 F 4.4492 7.4075 119.2630 60.5760 39.0247 177.8983 104 R 4.0435 7.7930 117.3520 58.8704 30.0173 178.7887 105 L 3.7421 7.7208 118.9026 57.5395 41.4804 179.1267 106 L 4.0223 8.1299 120.5467 58.1328 42.0145 178.9629 107 G 3.9703 7.9032 105.1235 48.2678 0.0000 175.3028 108 N 4.4313 8.0916 118.9855 55.7159 38.5048 177.7160 109 V 3.5760 7.9220 119.7242 65.8690 31.5912 177.4136 110 L 3.8250 8.6766 121.3074 58.5616 41.8437 179.1161 111 V 3.5651 7.9070 117.6630 66.3747 31.4078 177.8032 112 C 4.1761 8.0069 116.3600 62.6090 27.9062 176.2601 113 V 3.5840 8.0827 120.3318 65.9767 31.0779 178.0494 114 L 3.8462 8.0236 118.9002 57.6874 41.3602 179.4384 115 A 3.7469 7.4544 120.5961 55.0909 18.0634 179.0051 116 H 4.0803 7.9769 115.8464 59.8698 29.9966 176.9939 117 H 3.9474 8.1247 116.3467 58.4759 28.9635 177.1419 118 F 4.6382 8.5214 117.5401 55.3797 39.5316 178.4359 119 G 3.9053 8.8618 108.8908 45.6764 0.0000 175.2338 120 K 3.9330 9.2966 121.9004 59.7671 31.9927 177.1233 121 E 4.0485 8.1806 119.5650 58.3128 29.7802 177.2261 122 F 4.5301 8.0960 122.6252 57.0494 37.9635 175.4265 123 T 4.2437 7.3813 115.5962 59.8418 71.5506 173.5805 124 P 4.1345 0.0000 0.0000 65.7343 31.2088 177.1815 125 P 4.2323 0.0000 0.0000 65.4014 31.2430 178.9245 126 V 3.5773 7.3066 117.2856 65.7589 31.4496 177.8316 127 Q 3.5834 8.0778 119.4533 58.9019 28.7996 178.0100 128 A 3.9665 8.0211 121.5054 55.3887 18.4958 179.5462 129 A 3.9276 7.7720 119.0889 55.5056 18.3153 179.5246 130 Y 3.9055 8.0863 115.3559 61.1675 37.9446 178.5088 131 Q 4.1226 8.8679 119.5719 58.9095 28.7968 178.9370 132 K 4.0457 7.9783 119.2874 59.1756 31.9439 179.7232 133 V 3.5131 7.5649 118.1750 65.9805 31.4091 178.5361 134 V 3.7300 8.2577 112.3280 64.3532 31.3311 178.3389 135 A 4.0879 8.1542 120.6040 55.0991 18.1807 179.6673 136 G 3.6229 8.0994 104.1585 48.1062 0.0000 175.8488 137 V 3.3739 8.4267 121.7238 65.4538 31.5703 177.8413 138 A 3.9057 8.1911 120.6412 55.2378 18.1636 179.3931 139 N 4.2650 8.4336 114.8914 56.3244 38.4127 177.4833 140 A 4.0188 7.8902 121.0258 55.3489 18.6843 179.4811 141 L 3.8940 8.0882 117.5189 57.3540 41.6282 178.9463 142 A 4.3518 8.0086 119.3340 53.1175 18.6841 178.4781 143 H 4.1061 7.8694 116.9389 59.2929 29.8547 176.0317 144 K 4.3550 8.1982 115.0850 56.5057 32.1283 176.6715 145 Y 4.1655 7.9794 117.8348 58.3701 38.4002 175.7440 146 H 4.4751 8.3394 117.9727 56.0967 28.4108 173.1920 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 4.37 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 2 H 8.42 4.69 0.00 3.14 3.22 0.00 5.71 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 3 L 8.02 4.70 0.00 1.58 1.47 0.80 0.85 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 4 T 8.06 4.13 4.18 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 1.24 0.00 0.00 5 P 0.00 3.99 0.00 2.12 2.10 0.00 3.56 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 2.10 2.18 0.00 6 E 8.05 3.96 0.00 2.02 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 0.00 2.38 2.44 0.00 7 E 7.91 3.98 0.00 2.15 1.91 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 2.35 2.34 0.00 8 K 8.79 3.86 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.49 7.81 9 S 8.26 4.14 0.00 4.04 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 10 A 7.84 3.98 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 11 V 7.59 3.39 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 0.55 0.00 0.00 0.58 0.00 0.00 12 T 7.96 3.92 4.51 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 1.29 0.00 0.00 13 A 7.95 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 14 L 7.91 3.98 0.00 1.86 2.08 0.41 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.63 4.36 0.00 3.82 3.38 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 16 G 7.83 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 17 K 7.85 4.38 0.00 2.10 2.18 0.00 1.97 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.64 7.81 18 V 7.09 3.84 1.13 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 -0.13 0.00 0.00 0.72 0.00 0.00 19 N 8.15 4.57 0.00 2.70 2.61 0.00 0.00 6.83 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 8.04 3.49 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 1.21 0.00 0.00 0.89 0.00 0.00 21 D 8.05 4.33 0.00 3.02 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 22 E 8.55 3.95 0.00 1.95 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 0.00 2.30 2.43 0.00 23 V 8.00 3.60 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 0.89 0.00 0.00 0.67 0.00 0.00 24 G 8.42 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.83 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 26 E 8.20 3.94 0.00 2.29 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 2.30 2.33 0.00 27 A 8.03 3.93 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 28 L 7.85 4.05 0.00 1.84 1.74 0.99 1.29 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 29 G 8.19 3.59 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 30 R 8.34 3.92 0.00 1.90 1.95 0.00 3.11 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 31 L 7.95 3.99 0.00 1.91 1.91 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.88 3.99 0.00 1.91 1.68 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.14 3.69 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 0.73 0.00 0.00 0.91 0.00 0.00 34 V 7.86 3.47 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 0.03 0.00 0.00 0.80 0.00 0.00 35 Y 7.00 3.76 0.00 2.43 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 4.55 0.00 2.35 2.35 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 37 W 8.02 4.41 0.00 3.56 3.49 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 38 T 7.88 4.24 4.30 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 1.02 0.00 0.00 39 Q 8.08 4.14 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 40 R 7.47 3.87 0.00 1.57 1.82 0.00 2.94 0.00 0.00 2.58 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 7.44 4.63 0.00 2.93 3.06 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 42 A 7.49 4.17 0.59 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 43 E 7.92 4.11 0.00 2.01 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 2.34 2.21 0.00 44 S 8.01 4.44 0.00 4.09 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 0.00 45 F 7.83 4.49 0.00 3.19 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 7.22 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 47 D 8.77 4.62 0.00 2.67 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 48 L 8.22 4.90 0.00 1.70 1.59 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.24 4.34 0.00 3.94 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 50 T 7.37 4.73 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 4.19 0.00 2.15 2.14 0.00 3.60 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 2.10 2.18 0.00 52 D 8.19 4.35 0.00 2.68 2.73 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 53 A 8.32 4.09 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 7.72 3.81 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 1.11 0.00 0.00 0.96 0.00 0.00 55 M 8.56 4.20 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.89 0.00 56 G 7.89 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 0.00 0.00 0.00 0.00 57 N 7.57 4.38 0.00 2.93 2.96 0.00 0.00 6.80 8.84 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 58 P 0.00 4.33 0.00 2.26 2.27 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 59 K 8.34 3.73 0.00 1.78 0.76 0.00 1.33 0.00 0.00 1.00 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.03 1.21 7.81 60 V 7.93 3.88 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 1.23 0.00 0.00 1.23 0.00 0.00 61 K 8.07 3.95 0.00 2.04 1.85 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.52 7.81 62 A 8.18 4.09 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 63 H 8.32 4.39 0.00 3.60 3.71 0.00 5.79 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 8.43 3.67 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 0.00 0.00 0.00 65 K 7.98 4.07 0.00 1.93 1.84 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.60 7.81 66 K 7.73 4.00 0.00 2.03 1.95 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 67 V 7.84 3.57 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 0.99 0.00 0.00 0.86 0.00 0.00 68 L 8.23 4.37 0.00 1.96 1.88 1.17 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.18 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 70 A 8.17 4.14 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 71 F 8.49 4.31 0.00 3.27 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 72 S 9.13 4.26 0.00 4.59 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 0.00 73 D 8.43 4.54 0.00 2.73 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 74 G 8.03 3.53 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 0.00 75 L 7.26 4.02 0.00 1.47 1.42 -0.32 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.49 4.56 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 77 H 7.97 4.83 0.00 3.04 3.14 0.00 5.83 0.00 0.00 0.00 0.00 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.17 3.89 0.00 1.46 1.60 0.72 1.07 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 79 D 7.49 4.80 0.00 2.63 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 80 N 7.84 4.66 0.00 2.68 2.60 0.00 0.00 7.23 6.82 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 81 L 7.50 4.04 0.00 1.78 1.90 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.15 3.96 0.00 1.81 1.77 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.23 1.38 7.81 83 G 8.06 3.64 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 0.00 0.00 0.00 84 T 7.44 3.81 3.54 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 0.46 0.00 0.00 85 F 8.18 4.81 0.00 3.17 2.93 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 86 A 7.57 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 87 T 7.85 3.86 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 88 L 7.95 4.10 0.00 1.89 1.98 1.03 1.12 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 89 S 8.47 4.49 0.00 4.21 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 90 E 8.20 3.90 0.00 2.06 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 2.33 2.55 0.00 91 L 7.97 3.91 0.00 1.85 1.94 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.35 4.17 0.00 3.61 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 7.63 3.53 0.00 1.55 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 8.35 4.44 0.00 2.73 2.69 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 0.00 0.00 0.00 95 K 7.90 4.34 0.00 1.85 1.79 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.40 7.81 96 L 7.77 4.20 0.00 1.75 1.69 0.72 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.22 4.20 0.00 3.54 3.46 0.00 5.64 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.76 3.74 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 0.11 0.00 0.00 0.61 0.00 0.00 99 D 8.63 4.41 0.00 2.81 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 0.00 100 P 0.00 3.30 0.00 1.91 1.83 0.00 3.35 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.00 101 E 8.30 3.90 0.00 2.02 1.90 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 2.31 2.38 0.00 102 N 7.95 4.26 0.00 2.47 2.64 0.00 0.00 6.89 7.72 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 0.00 103 F 7.41 4.45 0.00 3.10 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 R 7.79 4.04 0.00 1.98 1.95 0.00 3.26 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 105 L 7.72 3.74 0.00 1.65 1.24 0.63 -0.03 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 0.00 106 L 8.13 4.02 0.00 1.80 1.89 0.92 1.33 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 0.00 107 G 7.90 3.97 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 0.00 0.00 0.00 108 N 8.09 4.43 0.00 2.96 2.94 0.00 0.00 6.73 7.40 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 0.00 109 V 7.92 3.58 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 1.14 0.00 0.00 110 L 8.68 3.83 0.00 1.70 1.88 0.86 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.91 3.57 2.31 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 1.29 0.00 0.00 1.16 0.00 0.00 112 C 8.01 4.18 0.00 3.24 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 8.08 3.58 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 0.97 0.00 0.00 0.97 0.00 0.00 114 L 8.02 3.85 0.00 0.97 0.94 0.67 0.65 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 0.00 115 A 7.45 3.75 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 0.00 116 H 7.98 4.08 0.00 3.23 3.59 0.00 5.95 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 8.12 3.95 0.00 2.89 2.67 0.00 5.70 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 0.00 118 F 8.52 4.64 0.00 3.28 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 0.00 119 G 8.86 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 0.00 120 K 9.30 3.93 0.00 1.92 2.05 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.55 7.81 121 E 8.18 4.05 0.00 2.36 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 0.00 2.36 2.34 0.00 122 F 8.10 4.53 0.00 3.07 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 0.00 123 T 7.38 4.24 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 1.31 0.00 0.00 124 P 0.00 4.13 0.00 2.15 2.15 0.00 3.57 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 4.23 0.00 2.11 2.06 0.00 3.46 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 2.08 2.11 0.00 126 V 7.31 3.58 1.92 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 1.02 0.00 0.00 0.89 0.00 0.00 127 Q 8.08 3.58 0.00 1.53 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 128 A 8.02 3.97 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 0.00 129 A 7.77 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 0.00 130 Y 8.09 3.91 0.00 3.46 3.27 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 0.00 131 Q 8.87 4.12 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 132 K 7.98 4.05 0.00 1.91 1.83 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.65 7.81 133 V 7.56 3.51 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 0.81 0.00 0.00 0.76 0.00 0.00 134 V 8.26 3.73 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 1.03 0.00 0.00 1.10 0.00 0.00 135 A 8.15 4.09 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 0.00 136 G 8.10 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 0.00 137 V 8.43 3.37 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 0.65 0.00 0.00 0.72 0.00 0.00 138 A 8.19 3.91 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 0.00 139 N 8.43 4.26 0.00 2.96 2.88 0.00 0.00 6.92 8.49 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 0.00 140 A 7.89 4.02 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 0.00 141 L 8.09 3.89 0.00 1.22 0.74 -0.15 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.01 4.35 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 0.00 143 H 7.87 4.11 0.00 3.29 3.63 0.00 5.75 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 0.00 144 K 8.20 4.35 0.00 1.83 1.83 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.79 7.81 145 Y 7.98 4.17 0.00 3.12 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 0.00 146 H 8.34 4.48 0.00 3.22 3.23 0.00 5.75 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