NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3696 8.1776 115.2794 57.8028 62.5816 174.0380 2 I 3.1778 7.8312 122.7727 62.9053 37.5480 176.9837 3 Q 4.0191 8.0203 120.6691 57.8885 29.6086 178.1006 4 A 4.1289 7.6375 120.2800 53.6187 19.3177 177.8647 5 E 3.6192 7.5513 117.1702 55.8800 29.6435 178.1453 6 E 3.8838 8.2426 121.3292 58.3353 30.1003 177.5508 7 W 4.5997 7.1962 115.2654 56.7202 28.5478 174.8560 8 Y 5.0777 7.5589 122.2847 57.0402 37.5908 175.2870 9 F 4.3583 9.2641 126.5105 56.5123 40.7149 178.3109 10 G 3.3347 5.4485 110.9913 46.6657 0.0000 176.4324 11 K 4.7847 8.5520 120.2960 54.4072 30.3696 174.9984 12 I 4.6575 7.4314 115.0819 57.9068 40.8723 176.9514 13 T 4.2907 8.1125 112.5998 61.1180 71.0069 175.6590 14 R 3.7714 9.2428 121.9409 59.6408 29.9588 178.6941 15 R 3.8570 7.8875 117.9624 59.3733 30.1649 177.9283 16 E 3.9361 8.3106 119.4432 59.1884 29.5462 178.8847 17 S 4.0626 8.2973 114.5382 61.6150 62.9378 176.4451 18 E 3.9418 8.4366 122.3197 58.9027 28.9288 179.2712 19 R 3.8795 7.9232 118.3049 59.3747 30.2231 178.3333 20 L 4.1417 7.8077 117.8068 57.8285 41.7318 179.1910 21 L 4.1884 8.0071 117.9779 56.8463 41.8555 177.7652 22 L 4.4531 7.9797 118.8776 54.0141 43.0125 176.1285 23 N 4.7288 7.6811 117.2586 51.7295 40.2490 175.0413 24 A 4.0982 8.8198 128.7396 55.4723 18.4274 178.1625 25 E 4.1156 8.4275 113.5374 57.9925 29.8412 176.8004 26 N 4.5045 8.4120 118.4164 52.0344 38.9906 173.5288 27 P 4.5627 0.0000 0.0000 61.2777 32.8779 175.5370 28 R 3.9075 8.1277 117.6676 57.9756 30.3925 177.6199 29 G 4.1222 9.2338 109.6327 46.5182 0.0000 173.3302 30 T 4.7339 7.5851 117.6993 63.8507 69.6471 173.4760 31 F 5.4772 8.9412 119.7826 56.2184 42.1368 172.5368 32 L 4.6605 8.6185 117.4514 54.8535 43.9735 173.9967 33 V 5.1386 9.1428 120.5502 61.3673 34.5212 174.5966 34 R 4.9574 9.2485 123.0507 54.5664 33.5746 173.8836 35 E 4.7687 8.8454 119.0264 56.1954 30.1927 177.3130 36 S 4.3330 8.2166 117.9545 58.2437 62.6301 174.4155 37 E 4.1835 8.9517 125.8296 59.0311 29.4697 177.8210 38 T 4.4713 7.6302 104.1827 60.8506 70.5556 173.7655 39 T 4.2631 8.4072 120.7214 61.5978 67.9510 173.9867 40 K 4.0150 8.3802 128.1621 57.4825 32.6597 177.5422 41 G 3.7591 8.7448 112.3111 45.5892 0.0000 172.8390 42 A 4.7744 7.4086 121.1041 50.3710 22.1194 175.7653 43 Y 4.9801 8.7102 117.7877 56.7612 41.5913 174.3680 44 C 5.3661 9.7003 117.8261 58.0950 31.9401 173.3215 45 L 5.0249 9.2508 126.5873 53.9367 43.3297 174.9670 46 S 5.1549 9.0213 123.9342 57.0889 64.9422 173.7695 47 V 5.0867 8.9647 124.5739 61.0810 34.9869 174.6075 48 S 4.9850 9.2796 122.5761 58.0477 65.0440 172.4445 49 D 5.2048 9.1585 120.8468 53.1838 45.4682 173.4935 50 F 5.5201 8.7876 121.8607 57.6148 42.4092 172.5354 51 D 4.3781 7.1896 123.1053 52.2033 42.0571 176.0073 52 N 4.1848 8.6392 116.4977 56.1184 38.6949 176.8407 53 A 4.0265 7.7459 120.5555 54.7193 18.7064 178.4818 54 K 4.1068 9.3352 114.7906 55.8529 33.5756 179.4171 55 G 3.4424 8.0562 108.4431 44.9757 0.0000 171.8791 56 L 4.9078 8.6195 123.4588 55.2487 42.8899 177.2111 57 N 5.0655 9.1427 122.4651 51.9366 41.4883 173.0314 58 V 4.8925 8.2093 118.0191 61.0205 34.5590 174.5168 59 K 4.5442 8.8509 125.8941 54.7714 35.6598 174.7081 60 H 5.1645 8.0864 118.9821 54.1943 31.8888 172.5385 61 Y 4.8265 8.8439 120.1416 55.9805 41.4461 174.3368 62 K 4.9243 8.7104 123.5536 55.3175 34.4795 174.9049 63 I 4.8656 8.8471 128.9905 60.0274 39.0020 174.9713 64 R 4.5453 8.8708 127.1812 54.7737 32.0123 175.5914 65 K 4.5333 8.1819 123.0631 54.5729 34.7659 175.3829 66 L 4.5566 8.3028 127.3611 53.7528 43.1317 177.8667 67 D 4.3711 8.6866 120.9646 56.8762 41.0583 177.7840 68 S 4.2585 7.8817 113.5692 59.1188 63.2229 173.6679 69 G 4.2895 8.1928 112.4464 45.8561 0.0000 175.1087 70 G 3.9996 7.9870 106.7572 45.8300 0.0000 172.1966 71 F 5.6482 9.3118 120.2738 55.8790 42.2756 174.2707 72 Y 5.1823 8.5150 118.4822 57.3387 41.0697 174.9327 73 I 4.2987 9.0263 119.9053 62.1633 38.6292 176.1739 74 T 4.7340 7.8339 114.6432 59.7275 69.0342 174.8625 75 S 2.8560 8.5806 123.2536 60.7145 62.9028 175.6722 76 R 3.9661 7.3147 117.9350 58.1320 29.9371 176.8711 77 T 4.1631 7.6588 113.9518 61.3283 69.2776 172.9712 78 Q 4.8197 7.6267 123.5796 53.9200 31.5435 175.1967 79 F 4.9312 8.7952 117.7475 55.7860 42.7730 176.1182 80 N 4.8696 9.0030 119.6219 55.4173 39.0557 175.7986 81 S 4.5104 7.5860 109.4311 55.9027 67.2858 175.0873 82 L 3.4989 7.1809 123.9889 58.1490 41.7991 179.1771 83 Q 4.1956 7.9306 117.6459 59.1698 28.6911 178.6468 84 Q 3.9723 8.0198 119.1257 58.5596 28.7158 178.5065 85 L 2.4400 7.5718 121.4414 57.6298 42.0066 179.1602 86 V 3.1841 7.6771 118.2625 65.8064 30.6102 177.8075 87 A 3.8668 7.8653 120.4735 55.1340 18.1956 179.0065 88 Y 3.9022 7.7572 118.0563 60.9714 38.9170 177.4484 89 Y 4.5181 7.6689 117.0728 58.9489 37.7965 177.3671 90 S 4.7653 7.2684 117.1091 58.8780 63.2593 174.7288 91 K 4.2390 6.9745 120.1838 56.5097 33.4860 176.2869 92 H 4.7003 7.7422 115.3334 53.6372 31.7662 174.4943 93 A 4.0353 8.7047 126.7621 54.3451 19.9407 179.4065 94 D 4.3919 7.7389 112.9056 55.9688 40.1240 175.4693 95 G 3.9066 8.9537 116.8513 46.5324 0.0000 173.4676 96 L 3.9038 7.8959 121.3336 53.7650 42.2890 177.8860 97 C 4.0576 8.9756 116.1887 61.3677 29.6910 173.3274 98 H 4.4392 7.1062 116.7814 55.0626 32.6618 173.5471 99 R 4.1642 7.6249 120.0568 55.4620 30.2293 175.9631 100 L 4.2771 8.6075 121.0494 55.3377 42.0647 176.8481 101 T 4.3967 9.1465 113.0357 62.9985 70.7498 174.4123 102 T 4.8212 7.8511 116.2521 59.3045 71.2598 172.6013 103 V 3.5408 8.4814 128.2155 62.4395 32.3338 175.0810 104 C 4.0836 8.3729 129.2771 59.3060 31.6266 171.9180 105 P 4.5738 0.0000 0.0000 62.5921 31.9069 176.4370 106 T 4.2990 8.3581 109.4594 62.0015 69.0154 174.6819 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 S 8.18 4.37 0.00 3.83 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 2 I 7.83 3.18 1.39 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.36 0.70 0.00 0.00 3 Q 8.02 4.02 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 4 A 7.64 4.13 1.20 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 0.00 0.00 0.00 5 E 7.55 3.62 0.00 1.16 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 1.74 1.47 0.00 6 E 8.24 3.88 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 7 W 7.20 4.60 0.00 3.47 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 8 Y 7.56 5.08 0.00 2.83 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 9 F 9.26 4.36 0.00 2.78 3.02 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 10 G 5.45 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.55 4.78 0.00 1.78 1.77 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.59 7.81 12 I 7.43 4.66 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 0.99 0.00 0.00 13 T 8.11 4.29 4.40 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 1.21 0.00 0.00 14 R 9.24 3.77 0.00 1.74 2.00 0.00 2.91 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 0.00 15 R 7.89 3.86 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 16 E 8.31 3.94 0.00 2.14 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 0.00 2.34 2.39 0.00 17 S 8.30 4.06 0.00 4.02 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 18 E 8.44 3.94 0.00 2.18 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 2.37 2.57 0.00 19 R 7.92 3.88 0.00 1.89 2.11 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 20 L 7.81 4.14 0.00 1.76 1.67 0.99 1.00 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 21 L 8.01 4.19 0.00 1.62 1.70 0.86 1.23 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 22 L 7.98 4.45 0.00 1.66 1.69 0.94 0.90 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 23 N 7.68 4.73 0.00 2.71 2.67 0.00 0.00 6.91 8.15 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 24 A 8.82 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.43 4.12 0.00 2.07 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 2.32 2.26 0.00 26 N 8.41 4.50 0.00 2.78 2.76 0.00 0.00 6.98 8.24 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 27 P 0.00 4.56 0.00 2.19 2.15 0.00 3.70 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 2.06 1.98 0.00 28 R 8.13 3.91 0.00 1.49 1.61 0.00 3.25 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 29 G 9.23 4.12 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 0.00 0.00 0.00 30 T 7.59 4.73 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 1.18 0.00 0.00 31 F 8.94 5.48 0.00 3.23 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 32 L 8.62 4.66 0.00 1.11 0.96 0.75 0.14 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 33 V 9.14 5.14 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 1.24 0.00 0.00 1.08 0.00 0.00 34 R 9.25 4.96 0.00 1.99 1.97 0.00 3.01 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 35 E 8.85 4.77 0.00 1.97 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 2.59 2.51 0.00 36 S 8.22 4.33 0.00 3.85 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.95 4.18 0.00 1.99 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 2.31 2.29 0.00 38 T 7.63 4.47 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 1.20 0.00 0.00 39 T 8.41 4.26 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 1.20 0.00 0.00 40 K 8.38 4.02 0.00 1.69 1.69 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.42 7.81 41 G 8.74 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.41 4.77 1.24 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 0.00 0.00 43 Y 8.71 4.98 0.00 3.18 3.20 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 0.00 44 C 9.70 5.37 0.00 2.88 2.86 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 45 L 9.25 5.02 0.00 1.80 1.70 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.02 5.15 0.00 3.79 3.74 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 47 V 8.96 5.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.13 0.00 0.00 48 S 9.28 4.98 0.00 3.92 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 49 D 9.16 5.20 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.79 5.52 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.19 4.38 0.00 2.62 2.59 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 52 N 8.64 4.18 0.00 2.69 2.89 0.00 0.00 6.90 7.35 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 53 A 7.75 4.03 1.24 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 0.00 0.00 54 K 9.34 4.11 0.00 1.64 1.79 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.31 7.81 55 G 8.06 3.44 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 0.00 56 L 8.62 4.91 0.00 1.92 1.70 1.09 0.91 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 57 N 9.14 5.07 0.00 2.82 2.84 0.00 0.00 6.00 7.25 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 58 V 8.21 4.89 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 0.65 0.00 0.00 0.91 0.00 0.00 59 K 8.85 4.54 0.00 1.55 1.03 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.55 7.81 60 H 8.09 5.16 0.00 2.85 3.08 0.00 5.64 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 61 Y 8.84 4.83 0.00 2.93 2.77 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 62 K 8.71 4.92 0.00 1.88 1.73 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.60 7.81 63 I 8.85 4.87 2.16 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 1.19 0.00 0.00 64 R 8.87 4.55 0.00 0.67 1.47 0.00 3.20 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 65 K 8.18 4.53 0.00 1.49 1.55 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.19 1.30 7.81 66 L 8.30 4.56 0.00 1.63 1.56 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.69 4.37 0.00 2.65 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 68 S 7.88 4.26 0.00 3.86 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 69 G 8.19 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.99 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 71 F 9.31 5.65 0.00 3.19 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 72 Y 8.52 5.18 0.00 3.41 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 73 I 9.03 4.30 1.93 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.26 0.92 0.00 0.00 74 T 7.83 4.73 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 75 S 8.58 2.86 0.00 3.53 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 76 R 7.31 3.97 0.00 1.81 1.96 0.00 3.19 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 77 T 7.66 4.16 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 0.77 0.00 0.00 78 Q 7.63 4.82 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 79 F 8.80 4.93 0.00 3.23 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 80 N 9.00 4.87 0.00 3.02 2.98 0.00 0.00 6.75 7.57 0.00 0.00 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 S 7.59 4.51 0.00 3.91 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 82 L 7.18 3.50 0.00 0.85 1.43 0.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.93 4.20 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.68 2.95 0.00 84 Q 8.02 3.97 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 85 L 7.57 2.44 0.00 1.58 1.66 1.21 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.68 3.18 1.63 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 0.22 0.00 0.00 -0.02 0.00 0.00 87 A 7.87 3.87 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 7.76 3.90 0.00 2.73 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.67 4.52 0.00 2.96 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 90 S 7.27 4.77 0.00 3.80 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 91 K 6.97 4.24 0.00 1.72 1.46 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.39 7.81 92 H 7.74 4.70 0.00 2.59 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.70 4.04 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 94 D 7.74 4.39 0.00 3.09 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 0.00 0.00 0.00 0.00 95 G 8.95 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 96 L 7.90 3.90 0.00 1.60 1.25 0.36 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.98 4.06 0.00 3.34 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 98 H 7.11 4.44 0.00 2.96 3.17 0.00 5.75 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 99 R 7.62 4.16 0.00 2.07 1.93 0.00 3.23 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 100 L 8.61 4.28 0.00 1.15 0.32 0.24 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 101 T 9.15 4.40 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 1.37 0.00 0.00 102 T 7.85 4.82 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 1.26 0.00 0.00 103 V 8.48 3.54 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 0.86 0.00 0.00 1.04 0.00 0.00 104 C 8.37 4.08 0.00 2.85 2.46 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 0.00 105 P 0.00 4.57 0.00 2.10 1.98 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 T 8.36 4.30 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 1.26 0.00 0.00