NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4205 8.3049 120.3250 55.0411 33.7616 174.8516 2 T 3.8809 7.8866 116.9466 62.8864 68.8342 172.7791 3 T 4.0848 9.3328 122.3967 63.1243 68.9526 173.5865 4 E 4.3927 7.6752 120.6865 54.0648 29.3481 174.9023 5 Q 3.9454 8.0164 122.8118 55.6885 29.4173 177.9743 6 E 4.0218 8.2918 123.4951 55.3276 27.7490 175.6527 7 F 4.8697 6.8425 116.2606 55.1183 40.6766 175.7767 8 E 4.7221 8.5511 122.8283 55.0612 31.7477 174.7155 9 K 4.7347 8.5320 123.5885 55.1326 34.6778 176.5333 10 V 4.0639 8.9585 123.9559 61.6868 32.5695 174.8259 11 E 4.2515 8.6919 128.8912 55.1795 29.8264 175.9345 12 L 3.3845 8.3596 126.5169 55.3662 38.2501 174.2550 13 T 3.9804 7.6714 115.0994 61.5927 68.3620 174.5526 14 A 4.1528 8.3336 126.2197 53.6001 18.5073 177.4761 15 D 4.6256 7.9202 114.8775 54.0432 41.1114 175.5508 16 G 3.7941 9.4042 105.8292 45.1507 0.0000 173.6923 17 G 3.6780 8.3226 111.3813 45.2942 0.0000 173.3413 18 V 3.6208 7.0601 121.5861 61.0786 36.1734 173.9715 19 I 5.3694 8.0187 127.0276 59.5186 38.4005 174.8051 20 K 4.9903 8.4110 125.6662 55.3295 36.4455 175.0044 21 T 4.6310 9.0256 119.7807 61.7025 70.9904 173.4156 22 I 4.0923 7.8157 126.1475 61.1671 38.0247 174.3246 23 L 4.7001 8.7670 128.0725 55.8144 43.3825 176.6101 24 K 4.7477 8.5789 119.5590 54.3952 35.8081 174.5047 25 K 4.8303 8.5250 124.0794 54.0644 34.9281 176.3740 26 G 3.5918 9.6454 114.3685 45.6525 0.0000 172.8056 27 D 4.4136 8.6986 125.5798 56.2407 41.5933 175.5504 28 E 4.5712 6.9171 116.7502 54.2391 32.4028 174.9208 29 G 4.8060 8.0545 121.5815 45.6410 0.0000 172.8051 30 E 3.8810 8.7791 128.5392 58.3463 29.9055 177.6048 31 E 4.3675 8.0609 113.7788 57.3022 30.6164 176.7854 32 N 5.0149 7.2985 118.7459 51.9827 36.8740 173.6409 33 I 4.1812 7.5708 118.2243 58.6609 39.9802 173.3838 34 P 4.5122 0.0000 0.0000 62.5598 31.4650 175.9772 35 K 4.9917 9.3897 122.4460 52.6563 35.2013 176.0998 36 K 4.2994 8.3056 119.3672 58.1215 33.0368 177.7301 37 G 4.0466 8.3500 106.5242 45.4749 0.0000 172.8990 38 N 5.0908 7.3854 114.4280 50.9986 41.9879 173.2538 39 E 4.4821 8.5153 120.7453 55.8198 30.4548 175.5051 40 V 5.0022 8.4950 118.8813 59.9452 36.6042 174.5751 41 T 4.6943 9.1064 118.9776 62.0410 71.5089 173.6801 42 V 4.6412 7.8592 118.2142 58.7035 36.2316 173.7327 43 H 5.1255 8.7610 121.8715 54.5049 32.6047 172.3163 44 Y 5.4990 7.5313 121.9354 54.4445 40.6356 174.7569 45 V 4.4924 7.6478 119.0181 59.9472 34.8336 174.7859 46 G 4.4688 8.1212 111.1705 45.5422 0.0000 174.1964 47 K 3.5466 7.0984 125.7240 55.2522 35.0267 174.4993 48 L 4.6490 9.0237 121.8792 53.5573 40.6468 176.4975 49 E 3.9436 8.4444 127.9495 58.4502 30.0232 178.7219 50 S 4.2507 7.8011 112.9851 61.1825 62.3621 174.4516 51 T 4.4800 7.2589 110.1787 60.7801 68.8034 173.8728 52 G 3.8417 8.4320 107.7872 46.6577 0.0000 173.4980 53 K 4.4688 7.8740 120.0873 55.1138 32.9610 177.0666 54 V 4.1197 8.4397 125.3401 61.4582 32.5658 175.8943 55 F 4.8025 8.3077 121.3428 57.7573 39.3434 176.0470 56 D 4.6714 8.7585 123.2392 51.6387 38.2202 173.9045 57 S 4.7472 9.1079 122.0598 56.6606 65.8748 175.0924 58 S 4.1932 8.2696 118.5268 60.7531 63.0877 175.9016 59 F 4.7777 7.8122 118.8810 59.5996 39.6361 177.6569 60 D 4.4076 8.2895 118.6102 56.2879 39.1253 177.3547 61 R 4.3041 7.4427 112.0626 56.4590 30.1405 175.5609 62 N 4.7574 8.0487 115.1550 55.0507 40.7993 174.4742 63 V 4.0329 8.1944 117.1938 60.1865 32.3114 174.8331 64 P 4.5256 0.0000 0.0000 61.7576 29.7665 174.1556 65 F 4.4888 8.2276 124.5347 56.2429 40.6709 175.2291 66 K 4.7835 7.9722 125.1675 53.8914 35.4026 175.0500 67 F 4.8910 7.6641 115.0146 55.3543 40.6722 173.7415 68 H 5.2986 8.3923 116.3594 52.7606 29.9610 174.1527 69 L 4.2091 8.5350 124.4314 56.1064 43.0319 176.1678 70 E 3.9775 8.8948 125.4457 57.8459 26.1187 174.2208 71 Q 4.5209 8.1293 111.8232 55.5795 29.7615 177.3038 72 G 4.1093 7.7299 105.2264 45.9994 0.0000 175.1823 73 E 4.2021 8.0224 118.0631 58.4691 29.8606 177.3485 74 V 4.2911 7.5639 111.9097 59.8232 32.2953 174.7455 75 I 4.1272 7.9272 118.9403 61.5902 39.1211 176.3360 76 K 4.3781 7.6495 116.1490 56.2647 36.0522 178.8775 77 G 3.2802 8.1075 105.4700 47.8107 0.0000 175.7673 78 W 4.2156 7.6270 121.5097 58.8054 29.2154 177.8539 79 D 4.4352 8.3182 117.7528 57.8580 40.3660 178.6013 80 I 3.8896 7.6348 118.5656 64.3077 37.4357 177.8902 81 C 4.2433 7.6137 119.2812 62.8186 31.5549 176.1935 82 V 3.7246 8.4985 114.3120 64.3114 31.3044 177.8802 83 S 5.1753 8.3387 111.8508 58.6865 62.2665 174.3778 84 S 4.6462 7.7754 111.6231 58.8704 63.0307 173.5024 85 M 4.4772 7.5182 119.0218 54.0874 33.8277 175.3109 86 R 4.4132 7.7292 115.8338 54.8386 34.0846 176.3526 87 K 4.8141 7.5106 118.3875 58.3225 32.2764 177.1548 88 N 5.1380 7.9715 114.5763 53.1082 39.8987 173.2819 89 E 4.8174 8.1479 118.9462 54.5945 33.4157 174.8432 90 K 4.6172 8.2839 121.8312 55.6701 36.0870 174.1223 91 C 5.2162 8.5509 123.4096 58.0839 33.2549 172.7258 92 L 4.7660 8.7110 121.9915 53.3215 43.2632 176.0045 93 V 4.6406 8.2933 123.4562 60.0169 34.3077 175.0523 94 R 4.6201 8.6651 122.8741 55.1978 31.2277 176.3952 95 I 4.0313 8.6085 126.9285 60.0373 38.0137 175.3322 96 E 4.6392 8.5913 129.0772 54.3818 31.8190 176.8984 97 S 4.0330 8.5939 115.9693 61.5995 62.6146 176.6195 98 M 4.1184 7.4828 116.1495 56.6496 31.6202 176.5489 99 Y 4.5403 7.3953 116.8111 59.0326 39.0979 174.6395 100 G 4.4544 7.5111 109.5555 44.9072 0.0000 172.5183 101 Y 4.5102 8.4822 112.9387 57.9181 38.0004 177.2589 102 G 3.7034 7.8022 108.1965 47.4193 0.0000 174.8573 103 D 4.4404 7.9902 119.3147 57.0153 41.6923 176.9525 104 E 4.0670 8.2801 118.6434 57.3395 29.9329 177.5509 105 G 3.9114 8.5744 106.0291 45.0457 0.0000 173.2240 106 C 4.2269 7.7053 119.7085 58.3731 30.4349 171.7927 107 G 4.4663 8.1483 116.8629 43.7280 0.0000 168.0847 108 E 4.4333 8.3275 114.0093 57.7545 31.8383 177.6675 109 S 4.2852 7.3430 115.6738 59.4194 64.1446 174.9851 110 I 4.4889 7.1655 120.8069 57.8319 37.8612 171.8278 111 P 4.7006 0.0000 0.0000 61.9938 30.4472 176.7370 112 G 4.1299 7.6119 120.7256 45.8076 0.0000 170.7682 113 N 4.6953 8.2944 110.2099 54.0087 36.5725 174.8492 114 S 4.8337 7.2826 113.3690 57.1268 65.2063 174.1833 115 V 4.1660 8.1151 121.9122 61.1973 32.7578 175.0387 116 L 4.9383 8.6887 125.2087 52.6000 45.5548 175.1898 117 L 5.0071 8.2375 120.5785 52.9403 44.8330 175.5612 118 F 5.7364 8.4958 121.8407 55.6625 42.2818 174.3168 119 E 4.4769 9.9976 125.3285 56.4159 30.1146 175.8675 120 I 4.9848 8.3732 126.5716 58.7685 39.6915 174.4648 121 E 4.6746 8.7463 127.8023 54.2927 32.5696 174.5169 122 L 4.5813 8.5771 130.5753 54.1684 41.4945 176.5643 123 L 4.2524 8.4203 126.4704 57.1838 41.7039 177.4277 124 S 4.9837 7.8112 112.9526 56.7525 66.1161 172.7783 125 F 5.3012 8.5762 119.1261 56.7084 40.5664 173.7369 126 R 3.9571 8.2985 114.5490 55.4178 31.3827 174.8512 127 E 4.0689 8.8237 125.2471 56.0249 29.6309 176.1987 128 L 4.5071 8.2572 126.7513 53.0227 43.4023 176.2164 129 E 4.0652 8.6396 127.8459 55.6767 28.3491 175.1512 130 H 4.8551 7.6990 122.7028 52.6955 27.8016 173.6937 131 H 4.8790 7.3522 118.6763 55.1123 31.4419 174.1857 132 H 4.2009 8.6904 118.4004 56.1167 29.1010 174.9518 133 H 4.5640 8.6974 123.7261 55.2627 29.6436 174.2666 134 H 4.1821 8.9001 127.8916 58.9310 30.0602 174.6946 135 H 4.5326 7.8431 119.5191 56.0035 29.6452 172.9195 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 4.42 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 T 7.89 3.88 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 1.17 0.00 0.00 3 T 9.33 4.08 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 1.19 0.00 0.00 4 E 7.68 4.39 0.00 1.88 1.76 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 2.18 2.20 0.00 5 Q 8.02 3.95 0.00 1.80 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.47 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 6 E 8.29 4.02 0.00 1.88 1.84 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 0.00 2.19 2.17 0.00 7 F 6.84 4.87 0.00 3.03 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 8 E 8.55 4.72 0.00 2.12 1.88 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 2.32 2.35 0.00 9 K 8.53 4.73 0.00 1.65 1.68 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.40 7.81 10 V 8.96 4.06 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 0.88 0.00 0.00 0.94 0.00 0.00 11 E 8.69 4.25 0.00 1.89 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 2.26 2.32 0.00 12 L 8.36 3.38 0.00 1.80 1.73 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.67 3.98 4.19 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 1.23 0.00 0.00 14 A 8.33 4.15 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 15 D 7.92 4.63 0.00 2.60 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 16 G 9.40 3.79 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 0.00 17 G 8.32 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 18 V 7.06 3.62 1.81 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 0.55 0.00 0.00 0.54 0.00 0.00 19 I 8.02 5.37 1.87 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 1.20 0.41 0.89 0.00 0.00 20 K 8.41 4.99 0.00 1.69 1.75 0.00 1.42 0.00 0.00 1.77 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.38 7.81 21 T 9.03 4.63 3.84 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 0.00 0.00 0.00 0.45 0.00 0.00 22 I 7.82 4.09 1.86 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 1.24 0.65 1.02 0.00 0.00 23 L 8.77 4.70 0.00 1.69 1.70 1.14 0.58 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 24 K 8.58 4.75 0.00 1.77 1.69 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.39 7.81 25 K 8.53 4.83 0.00 1.65 1.67 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.42 7.81 26 G 9.65 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 27 D 8.70 4.41 0.00 2.63 2.71 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 28 E 6.92 4.57 0.00 1.93 1.76 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 2.21 2.29 0.00 29 G 8.05 4.81 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 30 E 8.78 3.88 0.00 1.94 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 2.31 2.38 0.00 31 E 8.06 4.37 0.00 2.16 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 2.32 2.30 0.00 32 N 7.30 5.01 0.00 2.81 2.83 0.00 0.00 6.84 7.47 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 33 I 7.57 4.18 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 0.92 0.00 0.00 34 P 0.00 4.51 0.00 2.31 2.00 0.00 3.54 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.69 0.00 35 K 9.39 4.99 0.00 2.13 1.77 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.33 7.81 36 K 8.31 4.30 0.00 1.90 1.87 0.00 1.52 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.54 7.81 37 G 8.35 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 0.00 0.00 0.00 38 N 7.39 5.09 0.00 3.07 3.00 0.00 0.00 7.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.52 4.48 0.00 2.02 1.83 0.00 0.00 0.00 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 2.24 0.00 40 V 8.49 5.00 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 0.99 0.00 0.00 1.02 0.00 0.00 41 T 9.11 4.69 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 1.13 0.00 0.00 42 V 7.86 4.64 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 1.11 0.00 0.00 0.38 0.00 0.00 43 H 8.76 5.13 0.00 3.12 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.53 5.50 0.00 2.93 2.98 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 0.00 0.00 0.00 0.00 45 V 7.65 4.49 2.15 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 0.87 0.00 0.00 1.08 0.00 0.00 46 G 8.12 4.47 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 0.00 0.00 0.00 47 K 7.10 3.55 0.00 2.00 1.73 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.32 7.81 48 L 9.02 4.65 0.00 1.96 1.90 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.44 3.94 0.00 1.98 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 2.35 2.28 0.00 50 S 7.80 4.25 0.00 4.10 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.26 4.48 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 1.27 0.00 0.00 52 G 8.43 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.87 4.47 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.43 7.81 54 V 8.44 4.12 2.12 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 0.89 0.00 0.00 0.98 0.00 0.00 55 F 8.31 4.80 0.00 3.10 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.76 4.67 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 57 S 9.11 4.75 0.00 3.77 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 58 S 8.27 4.19 0.00 3.11 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 59 F 7.81 4.78 0.00 3.08 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 60 D 8.29 4.41 0.00 2.87 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 61 R 7.44 4.30 0.00 1.97 2.15 0.00 3.08 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 62 N 8.05 4.76 0.00 2.66 3.09 0.00 0.00 7.13 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 63 V 8.19 4.03 2.21 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 1.03 0.00 0.00 1.03 0.00 0.00 64 P 0.00 4.53 0.00 2.04 2.04 0.00 3.68 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 2.01 2.05 0.00 65 F 8.23 4.49 0.00 2.93 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 66 K 7.97 4.78 0.00 1.61 1.66 0.00 0.79 0.00 0.00 2.22 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.15 1.20 7.81 67 F 7.66 4.89 0.00 3.00 3.05 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 68 H 8.39 5.30 0.00 3.30 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.53 4.21 0.00 1.89 1.84 1.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.89 3.98 0.00 2.29 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 2.27 2.27 0.00 71 Q 8.13 4.52 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.79 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 72 G 7.73 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 0.00 0.00 0.00 73 E 8.02 4.20 0.00 1.89 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 2.34 2.30 0.00 74 V 7.56 4.29 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 -0.33 0.00 0.00 0.94 0.00 0.00 75 I 7.93 4.13 1.73 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.56 0.00 0.00 76 K 7.65 4.38 0.00 1.70 1.68 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.35 7.81 77 G 8.11 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 W 7.63 4.22 0.00 3.29 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 79 D 8.32 4.44 0.00 2.89 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 80 I 7.63 3.89 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.63 0.82 0.00 0.00 81 C 7.61 4.24 0.00 2.83 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 82 V 8.50 3.72 2.21 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 1.14 0.00 0.00 1.25 0.00 0.00 83 S 8.34 5.18 0.00 3.97 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 84 S 7.78 4.65 0.00 3.83 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 85 M 7.52 4.48 0.00 1.98 2.13 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 2.85 0.00 86 R 7.73 4.41 0.00 1.74 1.66 0.00 3.36 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.53 0.00 87 K 7.51 4.81 0.00 1.77 2.05 0.00 2.00 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.67 7.81 88 N 7.97 5.14 0.00 2.60 2.75 0.00 0.00 6.67 7.70 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 89 E 8.15 4.82 0.00 1.94 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 2.18 2.31 0.00 90 K 8.28 4.62 0.00 1.80 1.59 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.61 7.81 91 C 8.55 5.22 0.00 2.81 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 92 L 8.71 4.77 0.00 1.39 1.43 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.29 4.64 2.07 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 0.94 0.00 0.00 0.91 0.00 0.00 94 R 8.67 4.62 0.00 1.76 1.90 0.00 3.23 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 95 I 8.61 4.03 1.45 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.18 0.67 0.00 0.00 96 E 8.59 4.64 0.00 1.76 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 97 S 8.59 4.03 0.00 3.95 4.04 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 0.00 0.00 0.00 98 M 7.48 4.12 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.14 0.00 99 Y 7.40 4.54 0.00 3.02 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 0.00 100 G 7.51 4.45 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 0.00 0.00 0.00 101 Y 8.48 4.51 0.00 3.20 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 0.00 102 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 0.00 103 D 7.99 4.44 0.00 2.63 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 0.00 104 E 8.28 4.07 0.00 2.16 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 2.27 2.33 0.00 105 G 8.57 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 0.00 106 C 7.71 4.23 0.00 2.76 2.43 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 0.00 107 G 8.15 4.47 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 0.00 0.00 0.00 108 E 8.33 4.43 0.00 1.95 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 2.06 2.20 0.00 109 S 7.34 4.29 0.00 3.54 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 0.00 110 I 7.17 4.49 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.00 0.91 0.00 0.00 111 P 0.00 4.70 0.00 2.26 2.23 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 112 G 7.61 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.29 4.70 0.00 2.84 2.87 0.00 0.00 7.12 7.55 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 0.00 114 S 7.28 4.83 0.00 3.61 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 0.00 115 V 8.12 4.17 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 0.71 0.00 0.00 0.86 0.00 0.00 116 L 8.69 4.94 0.00 1.21 1.09 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.24 5.01 0.00 1.48 1.43 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.50 5.74 0.00 3.17 3.11 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 0.00 119 E 10.00 4.48 0.00 1.98 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 2.36 2.45 0.00 120 I 8.37 4.98 2.01 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.98 1.04 0.00 0.00 121 E 8.75 4.67 0.00 2.04 1.80 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 2.27 2.27 0.00 122 L 8.58 4.58 0.00 1.78 1.66 0.90 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.42 4.25 0.00 1.81 1.79 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.81 4.98 0.00 3.89 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 0.00 125 F 8.58 5.30 0.00 3.09 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 0.00 126 R 8.30 3.96 0.00 1.67 1.76 0.00 3.21 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 127 E 8.82 4.07 0.00 2.01 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 2.57 2.36 0.00 128 L 8.26 4.51 0.00 1.53 1.80 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.64 4.07 0.00 1.91 1.82 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 2.14 1.82 0.00 130 H 7.70 4.86 0.00 3.23 3.28 0.00 5.80 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 0.00 131 H 7.35 4.88 0.00 3.23 3.28 0.00 5.55 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.69 4.20 0.00 3.19 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 8.70 4.56 0.00 3.12 3.27 0.00 5.74 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.90 4.18 0.00 3.09 3.26 0.00 5.92 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 7.84 4.53 0.00 3.15 3.12 0.00 5.78 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