NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9455 8.3549 109.7416 45.1630 0.0000 174.2669 -1 I 3.8471 7.6276 119.2437 61.6564 38.6087 175.8304 0 H 3.8778 7.9271 117.3953 55.1324 28.7016 173.8080 1 M 4.6054 8.6020 116.4633 53.7891 31.9029 174.3843 2 G 4.3867 8.2382 115.3839 43.8993 0.0000 169.6488 3 K 3.9612 8.9837 121.0848 55.6017 32.0912 180.2062 4 I 2.9065 9.2498 125.4884 61.8818 37.2355 174.7956 5 K 3.6646 9.3278 131.3608 57.9211 27.3242 173.8063 6 R 4.0359 8.2844 123.2410 55.6104 28.1123 177.3814 7 R 4.2957 6.5598 113.1613 52.6802 32.9251 177.6717 8 A 4.3296 8.6218 123.7127 48.7983 17.5543 174.6045 9 I 3.7361 9.2328 121.6689 59.0493 37.7951 173.7103 10 T 4.5357 7.9223 114.3532 60.3975 70.7388 174.2622 11 E 4.1356 9.2036 118.2799 60.1288 30.1419 178.9836 12 H 4.2908 8.3809 117.5079 59.0644 29.5247 176.5243 13 E 4.4377 7.9820 121.4180 58.8302 29.3650 178.5630 14 K 4.1115 8.3881 119.9763 59.4019 32.0196 178.4289 15 R 3.8031 8.2604 118.2336 59.7915 29.5440 177.8280 16 A 3.9690 7.7657 118.7935 54.3872 18.8631 179.3839 17 L 3.8159 7.3521 117.7014 57.6905 41.7974 179.7079 18 R 3.6815 8.3551 116.4177 59.7434 29.3054 178.6026 19 H 4.4176 7.7348 115.6505 58.2627 28.3596 176.1992 20 Y 4.1664 7.6084 121.9410 60.6843 38.5772 177.2661 21 F 4.9995 8.0999 125.2323 60.1045 40.0093 176.6963 22 F 4.2005 8.1305 115.7529 56.9695 40.6371 175.8078 23 Q 4.5075 8.2969 120.1670 53.6682 28.0682 173.5094 24 L 4.7387 7.3323 120.5176 52.7788 46.8197 176.9177 25 Q 4.1645 8.1936 117.2838 55.3344 26.1735 174.6859 26 N 4.6701 7.9911 124.8622 52.4385 38.3278 173.5335 27 R 4.3432 7.2267 122.6295 53.9299 33.7948 174.9270 28 S 4.1231 8.9424 123.4341 58.0449 62.3124 173.6540 29 G 4.0171 9.7730 106.5102 43.5673 0.0000 173.6766 30 Q 3.7575 8.5884 126.9202 59.5730 28.6646 179.0765 31 Q 3.9609 7.9618 118.2153 59.1545 28.6364 178.0129 32 D 4.4885 7.5456 119.7002 56.5502 41.2171 178.6391 33 L 2.7225 7.2526 119.7503 58.0832 41.9928 179.0762 34 I 4.2975 7.5003 119.4209 64.2913 37.0791 177.9042 35 E 4.0014 8.3563 121.0323 59.0856 29.5311 178.6254 36 W 4.5257 8.3462 115.0534 58.2912 28.5203 178.5671 37 F 3.7583 8.1754 119.1345 60.7096 38.6465 177.5580 38 R 4.7198 8.9449 120.0964 59.0509 29.6665 178.7134 39 E 4.0268 7.9130 117.7723 58.2988 29.6855 178.5551 40 K 4.0234 7.3143 118.7428 58.8108 32.9599 177.7278 41 F 4.8651 7.4256 110.9145 55.8390 38.9690 174.9954 42 G 4.4973 8.6041 117.8998 43.9550 0.0000 173.9013 43 K 5.4894 7.6692 128.1330 56.8279 33.7680 174.2009 44 D 4.4319 8.5220 122.1148 53.8390 42.1343 176.1723 45 I 4.4368 7.5681 117.3376 59.5951 38.4995 175.4115 46 S 4.4088 7.8898 123.1328 57.6673 61.8459 173.4163 47 Q 3.6206 7.7651 110.9105 57.0040 27.3263 173.4702 48 P 4.5167 0.0000 0.0000 66.0054 32.4692 177.0647 49 S 4.5530 7.6573 113.6097 58.2057 63.5819 176.1911 50 V 3.4055 7.9156 115.8240 64.6571 31.1909 178.1368 51 S 4.2885 7.9638 113.0717 60.8617 63.4033 176.1429 52 Q 3.9435 7.8562 122.6131 59.2042 28.7795 178.2612 53 I 3.9571 8.4859 119.8798 63.7001 37.1621 177.7390 54 L 4.1695 7.4008 120.2289 57.3490 42.3571 176.7049 55 S 4.7374 8.1699 110.7001 60.5119 63.9172 175.3272 56 S 4.0302 8.6395 114.9042 61.9249 61.5839 176.3700 57 K 4.0933 8.0575 121.1955 59.7309 32.0370 178.4642 58 Y 4.5071 7.6152 117.8909 60.1609 38.9738 177.0734 59 S 4.0537 8.4711 114.8766 60.8726 62.4277 175.1169 60 Y 4.2994 8.0833 121.8915 60.8137 38.3263 177.6626 61 L 4.6334 7.8063 115.4850 55.9089 42.0933 176.9657 62 D 4.5347 7.9953 117.5983 54.5398 41.4433 175.8234 63 N 4.7423 7.8839 116.0191 55.2496 40.5899 173.3948 64 T 4.6386 7.4015 109.6235 60.7161 71.1688 172.4605 65 V 4.1149 7.7473 117.1996 61.2670 32.7030 176.8801 66 E 4.1723 8.6329 126.2708 57.3744 29.3206 176.6514 67 K 4.3996 7.4709 117.9905 55.9079 32.4586 175.5536 68 P 4.2806 0.0000 0.0000 63.6129 31.7272 176.2351 69 W 4.6083 5.8130 118.0427 56.1497 29.5370 176.5112 70 D 4.7366 7.7232 113.1584 53.5242 42.9307 177.5114 71 V 3.6093 7.5442 121.8317 66.0317 31.0908 177.2998 72 K 3.9416 7.3368 118.4244 58.2447 32.1021 177.5779 73 R 4.6605 7.2943 117.3536 55.0942 33.4004 174.2135 74 N 4.4927 8.5154 116.1424 53.6538 41.6134 173.6207 75 R 4.1042 8.7027 105.0100 56.8585 27.8605 173.4641 76 P 4.7278 0.0000 0.0000 61.9363 33.7568 178.1298 77 P 4.7894 0.0000 0.0000 62.2827 30.8566 176.8930 78 K 4.3750 8.9261 120.2133 57.8484 34.3906 175.7332 79 Y 4.8579 7.7740 116.4740 55.3039 38.9495 174.2289 80 P 4.3865 0.0000 0.0000 65.4679 31.7820 178.3319 81 L 4.1970 7.9937 117.2932 57.3558 41.6288 179.2398 82 L 3.6886 7.8065 118.5937 57.6066 41.4478 179.0707 83 E 4.4384 8.0232 118.2427 59.5195 28.9690 179.1475 84 A 3.8007 7.5785 119.3614 55.3368 18.2094 179.6386 85 A 4.1425 8.0111 119.0804 55.1988 18.3534 179.5371 86 L 4.5795 8.8183 116.8905 57.3736 41.9789 178.6981 87 F 3.4884 8.4615 122.5058 59.8624 38.9997 176.7467 88 E 3.8745 8.5187 116.5625 59.3666 29.1759 179.6712 89 W 4.1899 7.5174 116.4854 59.2110 28.6761 178.0287 90 Q 2.5200 7.0549 120.8307 58.1905 28.3627 178.0087 91 V 3.2370 7.0051 118.6805 66.4235 31.0794 177.9386 92 Q 4.0232 7.3554 114.4305 57.8447 28.5665 177.2063 93 Q 4.7738 7.6977 119.7915 55.5364 30.4599 176.9434 94 G 3.3228 8.1638 108.3578 43.1633 0.0000 177.8756 95 D 4.4885 8.2713 123.7447 54.5434 41.4226 173.5336 96 D 4.6137 8.4129 121.6026 54.3464 40.7379 176.0504 97 A 4.0196 6.9100 123.3104 52.9060 18.8337 176.8421 98 T 4.1196 8.1865 107.4573 61.8739 70.8190 171.5066 99 L 3.3913 8.5465 125.0412 55.0416 39.3891 174.0777 100 S 4.3216 8.0526 118.6136 58.3829 65.0521 176.6299 101 G 3.9219 8.2817 108.4609 43.8792 0.0000 176.6738 102 E 3.4385 8.8797 126.3499 59.0938 28.8245 177.9066 103 T 3.8499 8.0952 112.5889 65.1910 66.2812 175.2970 104 I 4.1996 8.7755 122.7045 63.9330 37.4686 178.0843 105 K 4.8060 8.0390 119.9448 59.4840 31.9624 178.1997 106 R 3.9647 8.2775 118.7912 59.0923 30.1811 178.2595 107 A 3.8585 7.5609 119.0349 54.8745 18.2828 179.4994 108 A 3.5386 9.2978 119.1852 55.3606 18.0646 179.7741 109 A 4.1028 8.0660 119.1460 54.7980 18.4850 178.8257 110 I 4.1168 7.4772 115.5674 61.8768 38.6910 177.5338 111 L 3.7230 7.9158 122.0186 57.8864 41.7224 178.2858 112 W 4.6787 8.2083 116.5652 58.3689 29.3687 177.6674 113 H 4.4289 7.6534 118.4981 58.6520 29.6078 176.7271 114 K 4.5451 7.8818 118.0924 57.1303 32.4446 177.0260 115 I 4.3637 7.3453 117.7605 59.5595 39.0158 171.5260 116 P 4.9959 0.0000 0.0000 62.5273 31.5295 177.1394 117 E 4.5275 8.0695 119.2783 57.5968 31.3778 176.9182 118 Y 4.3698 8.3578 116.4397 59.3755 38.1241 176.7605 119 Q 3.9318 7.0448 117.6427 55.2735 31.5745 174.0762 120 D 5.1140 8.7524 112.8470 55.6669 38.2438 175.7930 121 Q 4.1544 7.4026 116.8007 53.3391 30.3846 172.2482 122 P 4.2115 0.0000 0.0000 62.2643 29.6921 177.4924 123 V 3.1603 6.9850 118.9775 61.0839 31.4072 173.6672 124 P 4.4544 0.0000 0.0000 63.3426 32.2466 177.0340 125 N 4.9459 7.4282 118.4895 49.6233 37.4196 174.9174 126 F 4.6434 8.4756 113.0487 58.2849 38.7053 175.4032 127 S 4.5306 8.8047 117.6218 58.4146 63.9159 173.3539 128 N 3.1479 7.9899 115.1102 52.4759 40.3185 176.7989 129 G 3.6668 7.6441 105.6675 47.4989 0.0000 175.3885 130 W 4.3387 7.2550 118.2686 59.5134 27.9648 177.9600 131 L 3.9919 7.4141 121.0715 57.9924 41.0979 178.4753 132 E 3.6387 7.8835 118.0392 59.3912 29.2431 179.5791 133 G 3.7653 8.5538 106.1286 47.8750 0.0000 175.7204 134 F 4.3997 7.8697 117.6810 59.5697 38.0449 177.5757 135 R 3.9595 7.4215 119.8227 58.5930 29.3971 178.1274 136 K 4.1737 8.0762 117.2632 57.8755 32.6923 177.9938 137 R 4.5697 7.8055 116.3225 56.0802 30.2871 175.5175 138 H 4.9112 8.0761 116.7914 57.3293 37.5182 174.9053 139 I 4.2356 7.7026 117.0921 60.2920 37.1709 177.4087 140 L 3.5250 7.8036 120.9857 54.8762 40.6152 173.9663 141 H 4.3007 8.8180 117.5853 57.4458 29.7028 175.8008 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -2 G 8.35 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 -1 I 7.63 3.85 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.29 0.91 0.00 0.00 0 H 7.93 3.88 0.00 3.28 3.31 0.00 5.83 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.60 4.61 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 2 G 8.24 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 0.00 0.00 0.00 0.00 3 K 8.98 3.96 0.00 1.76 1.63 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.46 7.81 4 I 9.25 2.91 1.85 0.00 0.00 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 1.30 0.41 1.01 0.00 0.00 5 K 9.33 3.66 0.00 2.10 1.94 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.48 7.81 6 R 8.28 4.04 0.00 1.97 2.00 0.00 3.20 0.00 0.00 3.27 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 7 R 6.56 4.30 0.00 1.87 1.76 0.00 3.28 0.00 0.00 3.17 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 8 A 8.62 4.33 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 9 I 9.23 3.74 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.68 1.11 0.00 0.00 10 T 7.92 4.54 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 1.31 0.00 0.00 11 E 9.20 4.14 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 12 H 8.38 4.29 0.00 3.32 3.39 0.00 5.92 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.98 4.44 0.00 2.50 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 14 K 8.39 4.11 0.00 2.06 2.16 0.00 2.09 0.00 0.00 1.72 0.00 0.00 3.37 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.56 2.01 7.81 15 R 8.26 3.80 0.00 1.99 1.94 0.00 3.30 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 16 A 7.77 3.97 1.21 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 0.00 0.00 0.00 17 L 7.35 3.82 0.00 2.05 1.68 0.47 1.02 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 18 R 8.36 3.68 0.00 1.42 1.46 0.00 2.60 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 19 H 7.73 4.42 0.00 3.23 3.28 0.00 5.62 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 20 Y 7.61 4.17 0.00 2.88 2.65 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 0.00 0.00 0.00 0.00 21 F 8.10 5.00 0.00 2.95 3.19 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 22 F 8.13 4.20 0.00 3.23 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 23 Q 8.30 4.51 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 24 L 7.33 4.74 0.00 1.57 1.49 0.93 1.21 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 25 Q 8.19 4.16 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 5.69 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 26 N 7.99 4.67 0.00 2.66 3.11 0.00 0.00 6.91 7.59 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 27 R 7.23 4.34 0.00 1.67 1.73 0.00 3.34 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 28 S 8.94 4.12 0.00 4.14 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 29 G 9.77 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 30 Q 8.59 3.76 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 31 Q 7.96 3.96 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 32 D 7.55 4.49 0.00 2.68 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 0.00 0.00 0.00 0.00 33 L 7.25 2.72 0.00 1.52 1.66 0.81 1.16 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 34 I 7.50 4.30 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.03 1.15 0.00 0.00 35 E 8.36 4.00 0.00 2.11 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 0.00 2.38 2.45 0.00 36 W 8.35 4.53 0.00 3.65 3.45 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 0.00 0.00 0.00 0.00 37 F 8.18 3.76 0.00 3.37 3.25 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 38 R 8.94 4.72 0.00 1.96 2.10 0.00 3.20 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 39 E 7.91 4.03 0.00 2.17 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 2.32 2.32 0.00 40 K 7.31 4.02 0.00 1.52 1.42 0.00 1.10 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.57 0.21 7.81 41 F 7.43 4.87 0.00 3.01 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 42 G 8.60 4.50 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 0.00 0.00 0.00 43 K 7.67 5.49 0.00 2.06 2.00 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.21 7.81 44 D 8.52 4.43 0.00 1.83 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 0.00 0.00 0.00 45 I 7.57 4.44 1.66 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.36 0.70 0.00 0.00 46 S 7.89 4.41 0.00 3.82 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 47 Q 7.77 3.62 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 48 P 0.00 4.52 0.00 2.13 2.15 0.00 3.67 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 1.82 1.93 0.00 49 S 7.66 4.55 0.00 3.78 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 V 7.92 3.41 2.11 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 1.18 0.00 0.00 0.93 0.00 0.00 51 S 7.96 4.29 0.00 4.04 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 52 Q 7.86 3.94 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 53 I 8.49 3.96 2.11 0.00 0.00 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 1.60 0.84 1.16 0.00 0.00 54 L 7.40 4.17 0.00 2.12 1.78 0.84 0.91 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 55 S 8.17 4.74 0.00 4.09 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 56 S 8.64 4.03 0.00 3.90 3.89 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 57 K 8.06 4.09 0.00 1.95 2.02 0.00 1.82 0.00 0.00 1.91 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.54 7.81 58 Y 7.62 4.51 0.00 3.16 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 59 S 8.47 4.05 0.00 3.96 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 60 Y 8.08 4.30 0.00 2.87 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 61 L 7.81 4.63 0.00 1.93 1.87 1.34 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.00 4.53 0.00 2.42 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 63 N 7.88 4.74 0.00 2.65 2.97 0.00 0.00 6.82 7.56 0.00 0.00 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 T 7.40 4.64 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 65 V 7.75 4.11 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 0.73 0.00 0.00 0.86 0.00 0.00 66 E 8.63 4.17 0.00 1.85 1.85 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 2.25 2.40 0.00 67 K 7.47 4.40 0.00 1.72 1.74 0.00 1.49 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.25 7.81 68 P 0.00 4.28 0.00 1.89 1.73 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.89 0.00 69 W 5.81 4.61 0.00 3.50 3.25 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 70 D 7.72 4.74 0.00 2.94 2.78 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 71 V 7.54 3.61 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 0.75 0.00 0.00 0.17 0.00 0.00 72 K 7.34 3.94 0.00 1.76 1.79 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.31 7.81 73 R 7.29 4.66 0.00 1.74 1.86 0.00 3.34 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 74 N 8.52 4.49 0.00 2.78 2.60 0.00 0.00 6.96 7.90 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 75 R 8.70 4.10 0.00 2.07 2.00 0.00 3.11 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 76 P 0.00 4.73 0.00 2.25 2.14 0.00 3.81 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 2.02 0.00 77 P 0.00 4.79 0.00 2.19 2.06 0.00 3.69 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 2.26 2.17 0.00 78 K 8.93 4.37 0.00 1.71 1.85 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.18 1.38 7.81 79 Y 7.77 4.86 0.00 3.20 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.39 0.00 2.23 2.16 0.00 3.78 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 81 L 7.99 4.20 0.00 1.73 1.72 0.98 0.67 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 82 L 7.81 3.69 0.00 0.91 1.00 0.21 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.02 4.44 0.00 2.14 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 0.00 2.97 2.85 0.00 84 A 7.58 3.80 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 85 A 8.01 4.14 1.49 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 0.00 0.00 86 L 8.82 4.58 0.00 1.94 2.49 1.55 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.46 3.49 0.00 1.81 2.79 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 88 E 8.52 3.87 0.00 2.36 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 2.46 2.61 0.00 89 W 7.52 4.19 0.00 3.23 3.10 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 90 Q 7.05 2.52 0.00 1.27 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.48 6.21 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 91 V 7.01 3.24 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 0.80 0.00 0.00 -0.46 0.00 0.00 92 Q 7.36 4.02 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.22 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 93 Q 7.70 4.77 0.00 2.59 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 94 G 8.16 3.32 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 0.00 95 D 8.27 4.49 0.00 2.79 2.62 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 96 D 8.41 4.61 0.00 2.69 2.65 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 0.00 0.00 0.00 0.00 97 A 6.91 4.02 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 98 T 8.19 4.12 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 99 L 8.55 3.39 0.00 1.76 1.70 0.90 0.86 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 0.00 100 S 8.05 4.32 0.00 4.03 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 0.00 101 G 8.28 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 0.00 102 E 8.88 3.44 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 103 T 8.10 3.85 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 1.20 0.00 0.00 104 I 8.78 4.20 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.89 1.22 0.00 0.00 105 K 8.04 4.81 0.00 2.09 1.95 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.70 7.81 106 R 8.28 3.96 0.00 2.07 1.91 0.00 3.32 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 107 A 7.56 3.86 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 0.00 108 A 9.30 3.54 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 0.00 0.00 109 A 8.07 4.10 1.49 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 0.00 0.00 110 I 7.48 4.12 1.94 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.26 0.89 0.00 0.00 111 L 7.92 3.72 0.00 1.26 1.30 -0.05 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.21 4.68 0.00 3.51 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 0.00 113 H 7.65 4.43 0.00 3.70 3.33 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.88 4.55 0.00 2.08 1.85 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 115 I 7.35 4.36 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.00 1.04 0.00 0.00 116 P 0.00 5.00 0.00 2.29 2.29 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 117 E 8.07 4.53 0.00 2.01 2.05 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 2.25 2.23 0.00 118 Y 8.36 4.37 0.00 2.98 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 0.00 119 Q 7.04 3.93 0.00 1.33 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.45 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 120 D 8.75 5.11 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 7.40 4.15 0.00 1.47 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.08 2.30 0.00 122 P 0.00 4.21 0.00 2.01 2.00 0.00 3.57 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 123 V 6.99 3.16 0.72 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 -0.85 0.00 0.00 0.65 0.00 0.00 124 P 0.00 4.45 0.00 2.12 1.97 0.00 3.17 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 125 N 7.43 4.95 0.00 2.92 2.94 0.00 0.00 6.13 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 0.00 126 F 8.48 4.64 0.00 3.58 3.21 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 0.00 127 S 8.80 4.53 0.00 4.00 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 0.00 128 N 7.99 3.15 0.00 2.36 2.28 0.00 0.00 6.21 7.91 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 0.00 129 G 7.64 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 0.00 130 W 7.26 4.34 0.00 3.76 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 0.00 131 L 7.41 3.99 0.00 1.50 1.42 1.44 0.40 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 0.00 132 E 7.88 3.64 0.00 2.00 1.86 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 2.20 2.33 0.00 133 G 8.55 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 0.00 134 F 7.87 4.40 0.00 3.29 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 7.42 3.96 0.00 1.36 1.73 0.00 3.17 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 136 K 8.08 4.17 0.00 1.97 1.81 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.39 7.81 137 R 7.81 4.57 0.00 2.01 2.01 0.00 3.26 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 138 H 8.08 4.91 0.00 3.63 3.47 0.00 5.64 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 0.00 139 I 7.70 4.24 2.03 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.99 0.94 0.00 0.00 140 L 7.80 3.53 0.00 1.80 1.72 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 141 H 8.82 4.30 0.00 3.11 3.15 0.00 5.76 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