NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7002 8.4093 119.2128 53.2021 40.0840 173.8697 4 Q 4.4992 8.5666 124.1593 56.0692 29.7629 174.2822 5 Y 4.5350 9.2641 119.7070 58.2406 40.0490 175.0909 6 Y 5.5990 7.9731 121.4408 55.1883 42.0122 174.2942 7 G 4.3655 7.3308 110.7400 43.6827 0.0000 171.3812 8 T 4.4110 8.0982 117.6678 61.7322 69.2579 174.7819 9 G 4.0786 8.3786 114.4720 45.4475 0.0000 172.1180 10 R 4.5113 7.5802 118.8949 54.9466 32.6337 173.6918 11 R 4.9395 9.4320 133.6443 56.8764 32.6307 173.7885 12 K 3.6031 8.6951 128.7491 57.4605 29.6454 176.1346 13 S 4.0499 7.9858 111.1606 58.5701 62.6461 170.0841 14 S 5.3504 7.8022 115.1779 58.1897 64.2250 172.7923 15 A 5.0520 8.0846 121.8180 50.7739 23.0990 175.7980 16 A 5.5024 8.0961 119.0419 52.3811 21.2792 174.7134 17 R 4.6935 8.5571 120.3968 56.5253 31.9838 175.7561 18 V 4.7075 8.0474 124.4811 61.2697 33.7819 173.9432 19 F 6.0858 9.4378 127.5294 55.1205 41.6165 174.8702 20 I 5.0997 8.4100 121.6313 59.7890 41.8237 173.5911 21 K 4.8483 10.1199 126.6796 54.0597 37.2241 173.8728 22 P 4.5450 0.0000 0.0000 63.7172 31.8142 176.1834 23 G 4.0794 7.7882 114.6084 45.6782 0.0000 171.4312 24 N 4.3384 8.3433 119.8409 53.2772 38.5295 176.0808 25 G 4.6299 8.5259 112.5351 44.5582 0.0000 172.5558 26 K 4.8321 7.3712 116.5400 54.7263 35.6472 178.0200 27 I 3.8547 8.2906 123.8108 61.6166 38.4265 175.4969 28 V 5.4276 8.7662 125.6673 60.0694 31.6073 172.2297 29 I 4.4320 8.0265 121.3151 59.0196 38.7543 174.8999 30 N 4.0500 9.5411 130.7229 54.8441 35.7736 175.4204 31 Q 3.3513 7.7352 110.8885 56.7020 28.9176 174.4403 32 R 4.4173 7.3395 117.7815 54.7427 32.2267 176.2970 33 S 5.4979 7.9769 114.3333 56.1281 65.3366 173.8680 34 L 3.9642 8.2086 120.6023 58.2752 41.7506 177.8737 35 E 5.2097 7.8559 115.5065 56.2634 29.9554 177.1339 36 Q 4.2441 7.7036 119.8970 59.1790 28.7180 177.4936 37 Y 4.8573 7.9848 109.3682 57.1028 41.6979 174.9343 38 F 5.1281 6.6762 116.2517 56.3685 39.7086 176.3610 39 G 3.5985 7.7702 110.3953 45.8597 0.0000 169.9896 40 R 3.9700 8.5919 129.4731 55.7634 27.2726 176.4946 41 E 4.7448 7.8601 125.0851 56.7968 29.6326 179.5669 42 T 4.1100 8.7307 125.1985 65.0499 68.5738 173.1915 43 A 4.2706 7.0437 123.2845 52.4780 21.7600 175.1914 44 R 4.3856 7.6168 119.3634 57.4157 33.8717 176.1570 45 M 4.1351 7.8459 117.4485 57.8320 32.2179 178.4108 46 V 3.9472 7.8719 111.4731 64.2660 31.6970 177.4938 47 V 3.9517 7.4337 110.8351 62.4997 32.2447 177.7680 48 R 4.0821 7.7837 118.2939 59.0741 30.4581 177.8432 49 Q 4.0518 9.6585 117.4022 58.6450 28.2122 176.4664 50 P 3.3562 0.0000 0.0000 66.3576 32.1825 176.2988 51 L 4.2065 7.6391 116.9677 55.8113 42.1826 178.6748 52 E 3.9980 8.0373 117.2073 57.8293 29.2760 176.9634 53 L 4.5638 8.0705 120.0660 54.6061 41.9042 176.9413 54 V 4.0485 7.7905 106.4959 60.6978 35.4166 168.0789 55 D 4.4235 8.4219 128.8367 53.7988 41.1028 172.0739 56 M 4.8291 7.5658 126.7736 54.7695 32.8220 176.3481 57 V 3.9311 8.6013 115.0147 62.9552 30.3727 173.2840 58 E 4.8164 7.4462 122.4708 56.6698 33.9649 177.4178 59 K 4.0339 7.6801 121.9260 58.1475 32.7026 175.7500 60 L 5.2755 7.3184 116.8168 54.1044 44.2884 176.2355 61 D 5.6488 8.9960 119.9206 52.7321 41.1783 176.1490 62 L 4.7392 7.9871 112.7752 54.2269 42.7954 175.1131 63 Y 4.6345 8.6670 120.9315 56.7001 39.6787 174.3341 64 I 5.3524 8.9068 127.5760 59.7659 41.3399 174.9770 65 T 5.4301 9.5278 121.3684 62.2100 72.8995 173.4004 66 V 5.0224 8.5801 122.0151 61.3811 34.6518 173.4719 67 K 4.4069 8.8888 124.4968 56.7998 35.6617 175.4872 68 G 4.1491 9.0100 114.4657 47.0660 0.0000 171.9733 69 G 4.3797 8.7627 105.3757 44.7105 0.0000 175.4305 70 G 3.8440 9.0954 108.8424 45.2635 0.0000 175.7577 71 I 2.9825 8.3488 119.4267 61.7464 39.7223 176.2363 72 S 3.6824 8.5007 116.9932 60.7728 63.5312 176.1258 73 G 3.6138 8.8635 109.5258 47.4694 0.0000 176.0955 74 Q 3.9816 7.7603 119.5692 59.0658 28.7370 177.6377 75 A 4.0775 8.5269 122.5797 55.6959 18.2897 179.6200 76 G 3.4492 8.0675 102.3799 47.8230 0.0000 175.5256 77 A 4.1292 7.4810 121.7795 55.2408 18.6223 179.3885 78 I 3.5621 8.5379 119.4625 65.0786 37.3279 177.8799 79 R 3.6884 8.9481 119.9435 60.0229 29.7337 177.7159 80 H 4.1577 8.5706 117.8659 59.2684 29.7833 177.6783 81 G 3.4195 8.7455 107.9685 47.7006 0.0000 175.4240 82 I 3.6355 7.7231 122.5819 64.4289 37.5369 178.0535 83 T 3.9647 7.6725 113.0241 65.0394 67.2049 176.4117 84 R 3.9844 8.1868 119.5440 57.8265 29.6961 177.6503 85 A 5.5372 7.4222 119.1783 50.8162 19.4432 175.8382 86 L 4.8445 7.8135 119.0769 55.8111 42.5253 176.7351 87 M 4.8530 8.1827 110.9449 54.4438 32.9407 175.9248 88 E 4.2161 8.4461 120.2333 59.8402 30.1966 177.9052 89 Y 4.2168 8.3828 117.9060 60.4142 38.7808 176.1635 90 D 4.7816 7.7790 116.9333 52.8093 44.2996 173.9364 91 E 4.6488 8.8070 127.0783 56.4105 29.9636 175.8802 92 S 4.7835 8.7204 110.5316 57.6999 63.0650 174.3408 93 L 4.5884 7.9775 120.7534 56.2876 43.0494 178.7504 94 R 3.8333 7.8359 118.1950 59.2832 30.1124 178.1858 95 S 4.1430 8.1552 112.1054 61.9806 61.2777 176.2504 96 E 4.1797 7.9113 119.9781 58.3422 29.1403 178.7194 97 L 4.5620 8.9898 119.9895 56.9285 42.1045 178.9875 98 R 3.8791 7.9172 117.8452 58.9593 29.8051 178.7891 99 K 3.7957 7.3670 116.1502 60.2515 32.4994 178.8413 100 A 3.8126 7.0627 121.0998 52.2557 18.2659 177.6021 101 G 3.7500 7.7658 104.7938 47.4916 0.0000 174.6925 102 F 4.8371 7.7854 119.4849 59.0947 40.0415 178.4484 103 V 3.7499 7.9073 109.9999 62.5596 31.1434 175.8628 104 T 4.2927 7.5247 118.0007 61.3305 68.4606 174.3557 105 R 3.7484 8.4378 127.7869 56.2983 29.3699 176.4042 106 D 4.5030 8.3173 125.9216 52.8705 38.3483 176.8677 107 A 4.3324 7.9862 135.0000 52.2292 17.6026 180.4107 108 R 4.2590 7.2626 122.3958 54.8122 29.2391 176.8207 109 Q 4.2933 7.6898 122.4681 54.9911 31.0530 175.2238 110 V 4.0908 7.9410 111.7634 60.3145 32.8349 175.1502 111 E 4.4776 8.3509 122.6689 54.1363 30.2069 176.0520 112 R 3.9721 8.4846 122.9239 55.9140 29.9902 176.0347 113 K 4.1790 8.5624 122.5863 56.5275 33.1960 175.8427 114 K 4.6477 8.2878 123.4035 53.9668 35.3928 175.9670 115 V 3.7546 8.1853 121.3091 64.3408 31.2675 175.8245 116 G 4.0543 8.9616 113.7349 45.1245 0.0000 172.9637 117 L 4.6629 7.3060 118.3503 53.2650 43.5214 176.7984 118 R 4.2370 8.4672 119.2054 57.1240 31.1103 177.1305 119 K 4.4415 7.8633 113.7006 56.6335 33.1703 174.9749 120 A 4.3242 8.6179 126.7888 53.7723 18.4203 179.1415 121 R 4.4056 8.4337 110.2273 57.4591 35.0756 174.9376 122 R 3.8235 8.0270 118.7742 56.7041 29.7194 174.6526 123 R 4.5902 8.2427 125.9595 53.9554 31.2354 174.3647 124 P 4.4243 0.0000 0.0000 62.6025 31.9176 175.6954 125 Q 4.5683 8.3112 119.4070 56.0616 29.7262 176.5748 126 F 4.9512 8.1136 113.0642 55.3875 37.7400 174.7398 127 S 3.9342 7.8319 117.1936 59.9035 64.0501 174.6252 128 K 3.7698 9.0857 117.9531 56.5505 31.6810 176.2044 129 R 4.0824 7.5455 121.3932 57.0549 30.3717 175.7848 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 3 N 8.41 4.70 0.00 2.68 2.75 0.00 0.00 7.04 6.19 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 4 Q 8.57 4.50 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 5 Y 9.26 4.53 0.00 2.90 3.01 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 6 Y 7.97 5.60 0.00 2.83 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 7 G 7.33 4.37 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 0.00 8 T 8.10 4.41 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 9 G 8.38 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 0.00 0.00 0.00 10 R 7.58 4.51 0.00 1.72 1.70 0.00 3.41 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.86 0.00 11 R 9.43 4.94 0.00 1.85 1.88 0.00 3.47 0.00 0.00 3.60 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.38 0.00 12 K 8.70 3.60 0.00 1.98 1.76 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.40 7.81 13 S 7.99 4.05 0.00 4.06 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 14 S 7.80 5.35 0.00 3.89 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 15 A 8.08 5.05 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 16 A 8.10 5.50 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 17 R 8.56 4.69 0.00 2.03 2.09 0.00 3.41 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 18 V 8.05 4.71 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 0.97 0.00 0.00 0.96 0.00 0.00 19 F 9.44 6.09 0.00 2.56 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 20 I 8.41 5.10 1.93 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 1.33 1.41 0.85 0.00 0.00 21 K 10.12 4.85 0.00 1.72 1.69 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.51 7.81 22 P 0.00 4.55 0.00 2.17 2.05 0.00 3.92 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 23 G 7.79 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 0.00 0.00 0.00 24 N 8.34 4.34 0.00 2.89 2.98 0.00 0.00 5.75 7.30 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 25 G 8.53 4.63 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 26 K 7.37 4.83 0.00 1.75 1.79 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.44 7.81 27 I 8.29 3.85 1.98 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 1.26 0.86 1.06 0.00 0.00 28 V 8.77 5.43 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 0.93 0.00 0.00 0.87 0.00 0.00 29 I 8.03 4.43 2.04 0.00 0.00 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 1.60 1.19 1.17 0.00 0.00 30 N 9.54 4.05 0.00 2.91 2.78 0.00 0.00 6.46 7.19 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 31 Q 7.74 3.35 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.61 6.83 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 32 R 7.34 4.42 0.00 1.95 1.65 0.00 3.04 0.00 0.00 2.89 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.90 0.00 33 S 7.98 5.50 0.00 4.01 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 34 L 8.21 3.96 0.00 1.77 1.70 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.86 5.21 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 36 Q 7.70 4.24 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 37 Y 7.98 4.86 0.00 2.89 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 38 F 6.68 5.13 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 39 G 7.77 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 40 R 8.59 3.97 0.00 2.02 2.12 0.00 3.16 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 41 E 7.86 4.74 0.00 2.19 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 2.23 2.31 0.00 42 T 8.73 4.11 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 1.20 0.00 0.00 43 A 7.04 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.62 4.39 0.00 1.77 1.82 0.00 3.22 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 45 M 7.85 4.14 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 46 V 7.87 3.95 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 0.65 0.00 0.00 0.84 0.00 0.00 47 V 7.43 3.95 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 0.60 0.00 0.00 0.98 0.00 0.00 48 R 7.78 4.08 0.00 1.86 1.96 0.00 3.36 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.57 0.00 49 Q 9.66 4.05 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 50 P 0.00 3.36 0.00 1.90 1.77 0.00 3.59 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 51 L 7.64 4.21 0.00 1.70 1.64 0.85 0.82 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 52 E 8.04 4.00 0.00 2.03 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 2.51 2.36 0.00 53 L 8.07 4.56 0.00 1.58 1.65 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.79 4.05 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 0.61 0.00 0.00 0.92 0.00 0.00 55 D 8.42 4.42 0.00 2.76 2.67 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 56 M 7.57 4.83 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 57 V 8.60 3.93 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 1.07 0.00 0.00 0.92 0.00 0.00 58 E 7.45 4.82 0.00 2.24 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 2.27 2.06 0.00 59 K 7.68 4.03 0.00 1.76 1.79 0.00 1.52 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.34 7.81 60 L 7.32 5.28 0.00 1.76 1.64 0.87 0.58 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 61 D 9.00 5.65 0.00 2.74 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 62 L 7.99 4.74 0.00 1.75 1.63 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.67 4.63 0.00 3.37 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 64 I 8.91 5.35 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.52 1.03 0.00 0.00 65 T 9.53 5.43 4.56 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 0.00 0.00 0.00 1.46 0.00 0.00 66 V 8.58 5.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.19 0.00 0.00 67 K 8.89 4.41 0.00 1.93 1.70 0.00 1.63 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.55 7.81 68 G 9.01 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 69 G 8.76 4.38 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 0.00 70 G 9.10 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 71 I 8.35 2.98 1.84 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 1.46 0.62 1.16 0.00 0.00 72 S 8.50 3.68 0.00 3.84 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 73 G 8.86 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.76 3.98 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 75 A 8.53 4.08 1.03 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 0.00 0.00 76 G 8.07 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 0.00 0.00 0.00 77 A 7.48 4.13 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 78 I 8.54 3.56 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.94 0.00 0.00 79 R 8.95 3.69 0.00 1.75 2.02 0.00 2.92 0.00 0.00 3.03 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.61 0.00 80 H 8.57 4.16 0.00 3.39 3.45 0.00 5.83 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 81 G 8.75 3.42 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 0.00 82 I 7.72 3.64 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.84 0.00 0.00 83 T 7.67 3.96 4.17 0.00 0.00 0.00 0.00 0.00 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 84 R 8.19 3.98 0.00 1.83 1.84 0.00 3.32 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.69 0.00 85 A 7.42 5.54 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 86 L 7.81 4.84 0.00 1.69 1.55 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 87 M 8.18 4.85 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 88 E 8.45 4.22 0.00 2.61 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 0.00 2.49 2.42 0.00 89 Y 8.38 4.22 0.00 2.71 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 90 D 7.78 4.78 0.00 2.96 2.57 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 0.00 0.00 0.00 0.00 91 E 8.81 4.65 0.00 1.96 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 2.26 2.36 0.00 92 S 8.72 4.78 0.00 3.91 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 93 L 7.98 4.59 0.00 1.70 1.73 0.92 0.96 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 94 R 7.84 3.83 0.00 1.83 1.95 0.00 3.33 0.00 0.00 3.27 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 95 S 8.16 4.14 0.00 3.88 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 96 E 7.91 4.18 0.00 1.90 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 2.34 2.50 0.00 97 L 8.99 4.56 0.00 1.68 1.81 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.92 3.88 0.00 1.82 1.95 0.00 3.13 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 99 K 7.37 3.80 0.00 1.94 1.92 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.39 7.81 100 A 7.06 3.81 0.71 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 0.00 101 G 7.77 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 7.79 4.84 0.00 3.10 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 0.00 103 V 7.91 3.75 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 0.73 0.00 0.00 0.94 0.00 0.00 104 T 7.52 4.29 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 105 R 8.44 3.75 0.00 1.68 1.84 0.00 3.35 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 106 D 8.32 4.50 0.00 2.82 2.70 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 0.00 107 A 7.99 4.33 1.26 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 0.00 0.00 108 R 7.26 4.26 0.00 1.80 1.90 0.00 3.20 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 109 Q 7.69 4.29 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 110 V 7.94 4.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 111 E 8.35 4.48 0.00 1.90 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 2.22 2.34 0.00 112 R 8.48 3.97 0.00 2.03 2.06 0.00 3.02 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 113 K 8.56 4.18 0.00 1.74 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 114 K 8.29 4.65 0.00 1.80 1.63 0.00 1.83 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.61 7.81 115 V 8.19 3.75 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.93 0.00 0.00 116 G 8.96 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 0.00 117 L 7.31 4.66 0.00 1.67 1.72 0.94 nan 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 0.00 118 R 8.47 4.24 0.00 1.91 1.98 0.00 3.23 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 119 K 7.86 4.44 0.00 1.88 1.91 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.26 7.81 120 A 8.62 4.32 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.43 4.41 0.00 1.70 1.90 0.00 3.34 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 122 R 8.03 3.82 0.00 1.89 1.86 0.00 3.22 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 123 R 8.24 4.59 0.00 1.78 1.82 0.00 3.32 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 124 P 0.00 4.42 0.00 2.11 2.01 0.00 3.73 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 2.13 0.00 125 Q 8.31 4.57 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.47 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 126 F 8.11 4.95 0.00 3.11 2.97 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 0.00 127 S 7.83 3.93 0.00 3.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 9.09 3.77 0.00 1.85 1.93 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.49 7.81 129 R 7.55 4.08 0.00 2.01 1.95 0.00 3.32 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00