NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9931 8.0544 120.3803 62.2975 33.1822 175.9835 2 H 4.7838 8.7264 115.8447 54.1815 30.5783 170.8849 3 L 4.5975 8.0853 121.2666 53.7599 44.5981 177.6071 4 T 4.1002 8.2539 119.8704 62.3454 70.4385 174.0875 5 P 4.0812 0.0000 0.0000 66.5646 30.8316 178.5699 6 E 3.9359 8.0559 117.3785 59.3119 29.3500 179.0530 7 E 4.0288 7.9535 117.8970 58.9039 29.5614 179.4034 8 K 3.8947 8.6209 119.5859 59.3308 32.0221 179.3159 9 S 4.0484 8.2029 113.2535 61.3544 61.8954 176.0884 10 A 3.9994 7.8229 123.2552 54.9810 18.0578 179.7661 11 V 3.4260 7.5184 116.8531 66.3430 31.4273 178.0040 12 T 3.9227 7.8334 115.2347 67.1073 68.2191 176.4002 13 A 4.0869 8.1373 120.8756 54.8087 18.6281 179.1683 14 L 3.9518 7.8875 118.6670 57.8198 42.1112 178.6489 15 W 4.3915 8.6286 128.6389 60.7640 30.4375 178.0653 16 G 3.5370 7.8878 103.9782 47.3592 0.0000 174.6330 17 K 4.4394 7.8413 118.0144 55.4283 32.7029 176.5819 18 V 3.7295 7.6440 121.3525 61.8930 32.1825 175.8374 19 N 4.5025 8.2669 125.6840 52.2639 38.7780 175.1546 20 V 3.4760 8.0711 128.1722 65.9107 31.4655 177.0868 21 D 4.3494 8.0878 117.9532 57.5066 40.7754 178.6221 22 E 3.9417 8.2319 118.5646 59.5392 29.5578 179.6044 23 V 3.5974 7.6729 118.4048 65.8185 31.5038 178.2990 24 G 3.6803 8.2443 105.6752 47.8138 0.0000 176.0385 25 G 3.6033 7.8251 108.4879 47.2614 0.0000 175.5094 26 E 3.9592 8.3383 121.4133 58.6862 29.6914 178.6427 27 A 3.9236 8.3444 121.2984 55.1752 18.4032 179.3343 28 L 3.9810 7.9248 118.4735 58.3186 42.1429 179.2798 29 G 3.5548 8.0771 105.5668 47.6316 0.0000 176.0610 30 R 3.8974 8.1399 120.4429 58.6915 30.0304 178.6620 31 L 3.9760 7.9074 120.2587 58.4516 41.6132 179.2901 32 L 4.0216 7.6504 118.4456 57.0042 41.1866 179.5972 33 V 3.6372 7.0374 117.2863 65.4985 31.8638 177.9245 34 V 3.4451 7.8039 116.7350 64.5455 32.7715 175.8568 35 Y 3.7866 6.9425 117.0004 54.1020 37.5758 173.9819 36 P 4.3735 0.0000 0.0000 64.8195 31.2723 177.9989 37 W 4.4785 7.7351 114.8223 58.3488 28.3596 177.6594 38 T 4.2818 7.8613 111.4033 64.1532 68.4251 176.0170 39 Q 4.4105 8.0524 120.9045 57.8011 28.4840 177.9105 40 R 3.9122 7.4628 116.9802 57.9920 29.4510 177.5925 41 F 4.4138 7.3699 116.4221 57.0021 40.4130 175.4862 42 F 4.5187 7.3958 117.7845 56.5790 39.2224 176.9782 43 E 4.0077 8.1032 123.0032 59.6046 29.8281 179.8171 44 S 4.4841 8.0574 110.3761 59.8370 63.3502 174.9330 45 F 4.6258 8.0502 120.5887 59.7193 39.9585 175.1210 46 G 4.0215 7.1262 105.6898 44.4378 0.0000 175.5333 47 D 4.5870 8.7968 128.6012 53.7095 40.3416 175.3548 48 L 4.8559 8.2981 125.4555 54.5272 42.9631 178.9552 49 S 4.3972 8.0032 117.5981 61.1050 63.0509 175.2146 50 T 4.7293 7.3630 110.0922 58.1436 72.9550 172.7342 51 P 4.1806 0.0000 0.0000 66.2416 31.5224 178.3902 52 D 4.3609 8.1997 116.5087 57.6753 40.5347 178.9229 53 A 4.0592 7.9225 119.7756 54.5911 18.6152 179.7110 54 V 3.7263 7.8990 117.2186 66.4805 31.5864 178.0073 55 M 4.1207 8.2307 117.5029 58.5166 31.8253 178.6465 56 G 3.8596 7.8314 104.4917 45.8332 0.0000 173.7350 57 N 4.3034 7.5922 120.3373 53.2534 39.2235 173.7114 58 P 4.3763 0.0000 0.0000 65.3897 31.5395 178.5872 59 K 3.7039 8.0904 118.9851 58.9556 31.7121 179.4906 60 V 3.7369 7.7112 118.1866 65.9510 31.5671 178.0426 61 K 3.9008 7.9430 118.0228 59.5976 31.7327 179.2661 62 A 4.0804 8.1550 120.9017 54.9778 18.1867 179.1819 63 H 4.4745 8.1135 117.1235 59.1626 29.8620 177.5302 64 G 4.1483 8.3331 109.3095 47.2866 0.0000 175.5759 65 K 3.9995 7.9509 121.6826 58.7147 32.1364 178.8802 66 K 4.0521 7.6626 119.0038 59.0504 32.0822 179.0982 67 V 3.5994 7.9998 118.7728 66.1764 31.5311 178.2026 68 L 4.3332 8.4084 118.9617 57.4316 41.2774 179.7014 69 G 3.8798 8.1998 105.7291 47.9973 0.0000 175.6397 70 A 4.1105 7.8444 122.7138 54.3402 18.7175 179.2406 71 F 4.3267 8.5554 119.3338 61.5530 39.3908 177.0447 72 S 4.3427 9.1890 113.7097 61.9879 62.3704 176.0915 73 D 4.5211 8.6281 121.2761 56.9805 40.4794 178.8705 74 G 3.6190 8.0603 106.3548 47.0536 0.0000 175.1281 75 L 4.0064 7.2649 118.7619 55.7205 41.7576 177.8072 76 A 4.4691 7.3159 118.6745 52.2541 20.0998 176.5033 77 H 4.8444 8.0021 115.3664 54.8600 29.8595 175.1076 78 L 4.0996 8.0790 121.5630 57.3411 42.1678 176.7063 79 D 4.6136 7.7499 115.9597 55.3891 42.1161 176.3324 80 N 4.8635 8.2268 116.1683 51.9092 40.8684 174.9148 81 L 4.1020 7.6704 121.9654 57.1824 42.1368 179.0882 82 K 4.0303 8.0642 119.6926 59.6691 32.0556 179.0052 83 G 3.7056 8.0658 104.2223 47.7545 0.0000 175.5407 84 T 3.8025 7.5579 117.4335 65.5221 68.5163 175.8125 85 F 4.8368 7.9602 117.0435 56.9427 39.3525 177.1444 86 A 4.0831 7.6254 121.6479 56.0832 18.1792 180.6870 87 T 3.9262 7.8653 113.2970 66.4849 68.5915 176.7414 88 L 4.1288 7.9353 122.0868 57.9608 42.0870 178.7616 89 S 4.4748 8.4304 115.0079 60.8813 62.3315 176.0124 90 E 3.9196 8.3013 121.4597 59.1245 29.1005 179.0426 91 L 3.9310 7.9785 120.4664 58.6080 42.1198 178.8662 92 H 4.1962 8.4677 116.0926 59.1962 28.2909 176.5895 93 C 3.5989 7.6467 121.2276 61.8332 31.0552 175.2311 94 D 4.3862 8.5799 122.6701 56.2878 40.6783 177.4421 95 K 4.3209 7.5837 116.3951 57.7188 33.8209 177.3484 96 L 4.1370 7.9732 116.6603 55.1259 42.3635 176.3209 97 H 4.1872 7.1781 113.6291 56.6900 26.5819 174.9903 98 V 3.8231 7.9375 117.8389 60.8949 32.9943 174.5618 99 D 4.4135 8.5137 127.0167 53.2910 41.7558 175.0237 100 P 3.0511 0.0000 0.0000 64.7767 31.8815 178.0365 101 E 3.8952 8.0972 118.8789 59.0745 29.3493 178.3882 102 N 4.3391 8.1171 116.8211 56.0040 38.4662 177.2468 103 F 4.5535 7.5270 119.4798 60.7275 38.9728 177.8795 104 R 3.9993 7.9407 117.2166 59.1254 29.8795 178.8853 105 L 3.8158 7.6484 118.3809 57.5062 41.4806 179.1893 106 L 4.0489 8.1465 120.4042 58.1535 42.0365 178.8925 107 G 4.0714 8.0898 105.6010 48.3328 0.0000 175.2245 108 N 4.4203 8.2176 119.2792 55.7103 38.5561 177.6632 109 V 3.6138 8.0770 119.9556 65.8854 31.6408 177.5085 110 L 3.8646 8.7588 121.1419 58.5030 41.9822 179.1986 111 V 3.5998 7.9617 117.8009 66.2040 31.4104 177.7974 112 C 4.1541 8.0394 116.3136 62.6106 27.8861 176.2159 113 V 3.5731 7.8326 119.8054 66.0649 31.1056 178.0488 114 L 3.8608 7.7845 118.4591 57.6351 41.4285 179.4725 115 A 3.6889 7.2457 120.3543 55.1055 18.0851 178.9661 116 H 4.1089 7.8848 115.7099 59.8627 29.9656 176.9777 117 H 3.9960 8.1696 116.4472 58.4846 28.8801 177.0683 118 F 4.6329 8.4863 117.6406 55.5148 39.4237 178.5922 119 G 3.9476 8.7257 108.9735 45.4821 0.0000 175.6685 120 K 3.8488 9.3970 123.3529 59.7809 31.9766 177.3365 121 E 4.0463 8.4216 119.5109 58.4267 29.8801 177.2371 122 F 4.4509 7.9634 122.7384 56.9700 37.8486 175.3652 123 T 4.2144 7.3085 115.5388 60.0341 71.3866 173.5846 124 P 4.1826 0.0000 0.0000 65.6981 31.2203 177.2256 125 P 4.1962 0.0000 0.0000 65.3386 31.2190 178.9470 126 V 3.5598 7.3697 117.2158 65.7671 31.4540 177.7671 127 Q 3.5763 8.2847 119.8636 58.9426 28.6704 177.9536 128 A 3.9640 8.1994 121.8514 55.5384 18.2984 179.6044 129 A 3.9264 7.7316 118.9835 55.4594 18.3087 179.4877 130 Y 3.9068 8.1136 115.3757 61.0524 37.9303 178.3478 131 Q 4.1077 8.7654 119.7186 58.9390 28.7457 178.9420 132 K 4.0605 7.8670 119.5587 59.0980 31.9547 179.7382 133 V 3.4946 7.5169 118.5117 66.0781 31.5048 178.5872 134 V 3.7213 8.2542 112.2679 64.2298 31.2471 178.5066 135 A 4.0898 8.1708 120.8021 55.0082 18.2610 179.6509 136 G 3.6309 8.1511 104.3818 48.1544 0.0000 175.9480 137 V 3.3227 8.4344 121.3557 65.3453 31.3783 177.8222 138 A 3.8728 8.0277 120.4762 55.2655 18.0740 179.4136 139 N 4.2717 8.4426 114.9355 56.4690 38.4245 177.5987 140 A 4.0373 7.8509 121.0169 55.1317 18.2282 179.4509 141 L 3.8951 8.0573 117.5055 57.2017 41.5223 178.8246 142 A 4.3741 7.8590 119.5492 53.0561 18.7889 178.4310 143 H 4.0401 7.7029 117.4827 59.3025 29.8413 175.8660 144 K 4.4364 8.0789 115.2272 56.2960 31.9744 176.3530 145 Y 4.1484 8.1249 118.0198 58.3162 38.4177 175.6459 146 H 4.4632 8.3307 117.8861 56.1125 28.3716 173.2162 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 3.99 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 0.94 0.00 0.00 0.97 0.00 0.00 2 H 8.73 4.78 0.00 3.15 3.15 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.09 4.60 0.00 1.57 1.47 0.85 0.85 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 4 T 8.25 4.10 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 5 P 0.00 4.08 0.00 2.23 2.31 0.00 3.65 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 2.06 2.07 0.00 6 E 8.06 3.94 0.00 2.05 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 2.38 2.45 0.00 7 E 7.95 4.03 0.00 2.19 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 8.62 3.89 0.00 1.86 1.80 0.00 1.85 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.35 7.81 9 S 8.20 4.05 0.00 3.89 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.82 4.00 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 11 V 7.52 3.43 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 0.41 0.00 0.00 0.58 0.00 0.00 12 T 7.83 3.92 4.49 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 1.28 0.00 0.00 13 A 8.14 4.09 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 14 L 7.89 3.95 0.00 1.83 1.95 0.36 -0.03 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 15 W 8.63 4.39 0.00 3.84 3.40 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 16 G 7.89 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 0.00 0.00 0.00 0.00 17 K 7.84 4.44 0.00 2.18 2.21 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.52 7.81 18 V 7.64 3.73 1.05 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 0.06 0.00 0.00 0.66 0.00 0.00 19 N 8.27 4.50 0.00 2.70 2.59 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 8.07 3.48 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 1.08 0.00 0.00 0.84 0.00 0.00 21 D 8.09 4.35 0.00 3.00 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 8.23 3.94 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 23 V 7.67 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 0.94 0.00 0.00 0.61 0.00 0.00 24 G 8.24 3.68 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 0.00 0.00 0.00 25 G 7.83 3.60 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 0.00 0.00 0.00 26 E 8.34 3.96 0.00 2.27 1.93 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 2.28 2.31 0.00 27 A 8.34 3.92 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 28 L 7.92 3.98 0.00 1.74 1.63 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.08 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.90 0.00 1.96 1.93 0.00 3.10 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 31 L 7.91 3.98 0.00 1.90 1.88 1.03 0.60 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 32 L 7.65 4.02 0.00 1.77 1.68 0.74 0.96 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 33 V 7.04 3.64 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 0.71 0.00 0.00 0.89 0.00 0.00 34 V 7.80 3.45 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 -0.02 0.00 0.00 0.75 0.00 0.00 35 Y 6.94 3.79 0.00 2.67 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 4.37 0.00 2.34 2.34 0.00 3.68 0.00 0.00 3.77 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 7.74 4.48 0.00 3.60 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.28 4.46 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 1.13 0.00 0.00 39 Q 8.05 4.41 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 40 R 7.46 3.91 0.00 1.56 1.80 0.00 2.89 0.00 0.00 2.55 7.59 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 7.37 4.41 0.00 1.76 2.49 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 42 F 7.40 4.52 0.00 2.85 1.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.01 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 2.33 2.21 0.00 44 S 8.06 4.48 0.00 4.11 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.05 4.63 0.00 3.11 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 46 G 7.13 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 0.00 0.00 0.00 47 D 8.80 4.59 0.00 2.67 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 48 L 8.30 4.86 0.00 1.72 1.60 1.05 0.99 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 8.00 4.40 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.36 4.73 4.36 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 1.21 0.00 0.00 51 P 0.00 4.18 0.00 2.15 2.12 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 2.09 2.17 0.00 52 D 8.20 4.36 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 7.92 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 54 V 7.90 3.73 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 1.06 0.00 0.00 0.93 0.00 0.00 55 M 8.23 4.12 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.89 0.00 56 G 7.83 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.59 4.30 0.00 2.97 2.93 0.00 0.00 6.91 8.30 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 58 P 0.00 4.38 0.00 2.26 2.26 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 59 K 8.09 3.70 0.00 1.89 1.02 0.00 1.55 0.00 0.00 1.18 0.00 0.00 2.78 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.89 1.19 7.81 60 V 7.71 3.74 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 1.16 0.00 0.00 1.10 0.00 0.00 61 K 7.94 3.90 0.00 2.01 1.83 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 62 A 8.15 4.08 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 63 H 8.11 4.47 0.00 3.59 3.46 0.00 5.80 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 8.33 4.15 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 0.00 0.00 0.00 65 K 7.95 4.00 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.58 7.81 66 K 7.66 4.05 0.00 1.95 1.97 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.50 7.81 67 V 8.00 3.60 2.27 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 1.01 0.00 0.00 0.92 0.00 0.00 68 L 8.41 4.33 0.00 1.93 1.87 1.20 1.22 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 69 G 8.20 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.11 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 8.56 4.33 0.00 3.23 3.30 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 72 S 9.19 4.34 0.00 4.57 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 8.63 4.52 0.00 2.70 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 8.06 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 75 L 7.26 4.01 0.00 1.48 1.45 -0.26 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.32 4.47 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 77 H 8.00 4.84 0.00 3.05 3.15 0.00 5.82 0.00 0.00 0.00 0.00 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.08 4.10 0.00 1.48 1.61 0.75 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.75 4.61 0.00 2.67 2.66 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 0.00 0.00 0.00 0.00 80 N 8.23 4.86 0.00 2.67 2.61 0.00 0.00 7.10 6.60 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 81 L 7.67 4.10 0.00 1.80 1.95 0.88 0.77 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 82 K 8.06 4.03 0.00 1.81 1.75 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.14 1.36 7.81 83 G 8.07 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 84 T 7.56 3.80 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 0.40 0.00 0.00 85 F 7.96 4.84 0.00 3.17 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 86 A 7.63 4.08 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 87 T 7.87 3.93 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 1.22 0.00 0.00 88 L 7.94 4.13 0.00 1.88 1.99 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.43 4.47 0.00 4.09 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.30 3.92 0.00 2.19 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 2.64 0.00 91 L 7.98 3.93 0.00 1.93 1.87 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.47 4.20 0.00 3.62 3.79 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.65 3.60 0.00 1.42 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.39 0.00 2.74 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 7.58 4.32 0.00 1.81 1.79 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.46 7.81 96 L 7.97 4.14 0.00 1.72 1.64 0.74 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.18 4.19 0.00 3.46 3.42 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.94 3.82 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.52 0.00 0.00 99 D 8.51 4.41 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.05 0.00 1.90 1.80 0.00 3.35 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.00 101 E 8.10 3.90 0.00 2.03 1.89 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 2.29 2.38 0.00 102 N 8.12 4.34 0.00 2.51 2.75 0.00 0.00 6.90 8.68 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 0.00 103 F 7.53 4.55 0.00 3.12 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 0.00 104 R 7.94 4.00 0.00 2.04 1.97 0.00 3.25 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 105 L 7.65 3.82 0.00 1.73 1.33 0.67 -0.19 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 0.00 106 L 8.15 4.05 0.00 1.83 1.89 0.94 1.08 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 0.00 107 G 8.09 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 0.00 0.00 0.00 108 N 8.22 4.42 0.00 2.95 2.96 0.00 0.00 6.74 7.65 0.00 0.00 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 8.08 3.61 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 1.17 0.00 0.00 110 L 8.76 3.86 0.00 1.69 1.90 0.85 0.15 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 0.00 111 V 7.96 3.60 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 1.26 0.00 0.00 1.16 0.00 0.00 112 C 8.04 4.15 0.00 3.27 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.83 3.57 2.25 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 1.05 0.00 0.00 0.96 0.00 0.00 114 L 7.78 3.86 0.00 1.04 0.94 0.67 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 0.00 115 A 7.25 3.69 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 0.00 116 H 7.88 4.11 0.00 3.22 3.54 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 8.17 4.00 0.00 3.07 2.73 0.00 5.69 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 8.49 4.63 0.00 3.23 3.12 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 0.00 0.00 0.00 119 G 8.73 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 9.40 3.85 0.00 1.92 2.04 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.53 7.81 121 E 8.42 4.05 0.00 2.30 2.25 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 2.38 2.35 0.00 122 F 7.96 4.45 0.00 3.12 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 7.31 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 1.30 0.00 0.00 124 P 0.00 4.18 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 2.19 0.00 125 P 0.00 4.20 0.00 2.11 2.06 0.00 3.44 0.00 0.00 3.66 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 7.37 3.56 1.89 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 0.98 0.00 0.00 0.89 0.00 0.00 127 Q 8.28 3.58 0.00 1.64 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 128 A 8.20 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 0.00 129 A 7.73 3.93 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 0.00 130 Y 8.11 3.91 0.00 3.22 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 0.00 131 Q 8.77 4.11 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 132 K 7.87 4.06 0.00 1.71 1.83 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.66 7.81 133 V 7.52 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 0.78 0.00 0.00 0.74 0.00 0.00 134 V 8.25 3.72 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 1.07 0.00 0.00 1.10 0.00 0.00 135 A 8.17 4.09 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 0.00 136 G 8.15 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 0.00 0.00 0.00 137 V 8.43 3.32 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 0.53 0.00 0.00 0.69 0.00 0.00 138 A 8.03 3.87 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.44 4.27 0.00 2.96 2.88 0.00 0.00 6.93 8.35 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 0.00 140 A 7.85 4.04 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 0.00 141 L 8.06 3.90 0.00 1.30 0.64 -0.14 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.86 4.37 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 0.00 143 H 7.70 4.04 0.00 3.24 3.68 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 8.08 4.44 0.00 1.84 1.81 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.79 7.81 145 Y 8.12 4.15 0.00 3.16 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 0.00 146 H 8.33 4.46 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