NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4682 8.1927 116.7882 57.9862 65.1808 173.8772 2 S 4.4198 7.6582 111.9339 58.8635 70.0800 173.8367 3 S 3.9285 7.5059 116.9009 57.3932 61.4012 172.9978 4 F 3.5556 7.4196 117.8743 57.1403 38.3632 176.2028 5 D 4.8714 8.3373 117.2924 53.3225 39.2023 175.6107 6 K 4.1156 8.1882 117.0605 58.8398 34.3603 174.7360 7 G 2.4961 7.2231 115.5054 45.6323 0.0000 172.9727 8 K 3.8521 7.6916 128.8943 57.5001 30.0971 176.5118 9 Y 4.3477 8.1430 120.6695 58.6600 39.5367 175.3872 10 K 3.5098 8.5676 118.3732 57.4940 31.8939 176.8364 11 K 3.6171 8.0563 114.3293 57.2599 32.7947 175.6596 12 G 3.5030 6.3862 110.2006 46.2399 0.0000 174.5757 13 D 4.4503 7.1801 120.3436 53.5583 39.1737 175.4556 14 D 4.3590 7.7359 125.0374 52.5310 39.9431 176.6111 15 A 4.3047 7.1021 125.3455 50.5480 17.6213 177.8426 16 S 4.1756 7.9629 116.0143 60.1688 64.6744 174.6920 17 Y 3.8139 7.4831 125.4445 54.6892 41.4166 174.5953 18 F 3.2390 9.1724 117.4412 58.7094 36.8779 174.4190 19 E 3.7100 8.1026 125.7205 53.9164 28.6788 173.0535 20 P 4.5801 0.0000 0.0000 63.4511 29.6599 175.9404 21 T 4.2044 7.9653 114.9564 61.3271 69.8687 174.6652 22 G 4.2752 7.3283 108.5955 43.8887 0.0000 170.5214 23 P 5.1069 0.0000 0.0000 62.8405 32.8814 174.2599 24 Y 4.8715 7.9584 116.5169 56.4992 41.9011 173.6009 25 L 5.0442 9.0726 121.6344 53.9328 44.6858 174.2673 26 M 4.5446 9.3556 127.3376 54.1458 33.4824 175.0037 27 V 4.5033 7.7902 128.0386 61.8797 32.3148 173.9050 28 N 4.6899 8.3922 126.3396 52.4765 42.8728 173.7791 29 V 4.4782 8.1382 111.0612 60.8490 35.6028 176.7118 30 T 4.2284 8.3517 121.3757 62.8306 67.4929 172.6394 31 G 3.9442 8.6727 110.3889 45.8368 0.0000 170.5291 32 V 4.9372 8.0684 119.9408 58.8199 34.7743 177.4129 33 D 4.3056 8.6435 121.7080 55.6517 39.2880 176.5706 34 S 4.5121 7.4413 119.9452 58.5152 65.1484 177.5000 35 K 4.1029 7.8395 123.5035 55.5603 32.5378 176.6958 36 G 4.1591 7.3974 106.2670 45.5014 0.0000 173.3788 37 N 4.5239 8.0850 120.4351 51.0910 37.6896 173.5584 38 E 4.3291 8.4095 124.0050 56.0553 29.8271 177.3473 39 L 4.3401 8.5550 128.2994 57.2562 42.3035 178.0565 40 L 4.8601 7.5894 117.4140 53.4897 43.9123 175.6223 41 S 5.1174 9.3449 118.1598 56.6559 64.2466 172.9305 42 P 4.5632 0.0000 0.0000 62.7741 33.1047 176.2319 43 H 4.3229 8.8079 116.7541 56.4923 26.6073 176.2071 44 Y 4.4014 7.6809 119.1484 58.5360 39.1395 175.9426 45 V 4.0927 6.9121 119.4489 61.1027 33.6464 174.4734 46 E 4.5493 7.7294 126.2273 55.0548 32.7997 173.8871 47 F 5.2905 8.8157 125.1955 54.7131 42.6682 172.9426 48 P 4.7601 0.0000 0.0000 62.4910 31.9783 176.0882 49 I 3.7681 8.4709 123.4404 61.2108 38.4458 175.8364 50 K 4.4100 8.1992 126.4185 53.9761 33.8017 173.7174 51 P 4.3466 0.0000 0.0000 61.2209 32.1885 177.5104 52 G 4.9594 8.3825 122.1405 47.3920 0.0000 172.9979 53 T 3.8016 6.9730 114.8586 62.2066 68.7123 173.9102 54 T 4.2422 8.2434 124.3807 62.9272 68.1291 174.4596 55 L 4.3300 8.0643 130.3203 54.2047 39.9706 175.6299 56 T 4.4818 7.4771 112.6735 59.0890 72.4518 175.4877 57 K 3.7593 8.7243 123.6595 59.5599 32.3807 178.4395 58 E 3.9253 8.2873 115.2237 59.1520 29.1240 179.0876 59 K 3.6178 7.1227 117.8571 55.5775 32.5042 177.2837 60 I 4.2290 7.1399 119.2873 61.9612 39.8158 175.9556 61 E 3.8794 7.6835 120.6403 59.7184 29.2969 178.0846 62 Y 3.6023 7.1789 116.9066 58.7797 38.3619 177.0664 63 Y 4.1659 7.2523 121.6642 61.0147 39.1771 178.0644 64 V 3.4503 7.4079 112.8016 64.0391 31.6308 178.2372 65 E 3.9719 7.4445 119.5628 59.1354 29.4783 178.9758 66 W 4.6335 8.3428 118.8452 59.4886 28.8289 178.5183 67 A 4.0607 7.6271 120.4050 55.1925 18.2233 179.4302 68 L 4.2657 7.7769 118.0527 59.1466 40.2705 179.1722 69 D 4.4634 7.9436 118.5926 56.4529 40.9501 176.8793 70 A 4.5350 7.9784 120.8859 52.1758 19.5687 177.9392 71 T 4.7754 7.8575 116.8724 65.9700 76.4400 174.5506 72 A 4.1409 8.3120 121.3742 50.4516 19.9419 176.7643 73 Y 3.8893 9.0065 116.7821 57.4889 37.6862 168.1453 74 K 4.3936 7.9098 119.7868 57.6549 35.9908 177.7084 75 E 4.7267 7.9688 118.2493 53.3165 29.2638 173.7451 76 F 4.7570 8.0045 121.2432 57.3658 42.2517 172.6334 77 R 4.3320 7.7327 123.0891 55.9497 35.3198 171.6832 78 V 3.3878 7.5342 125.5814 62.1001 31.9754 170.8850 79 V 3.7637 8.1725 127.7857 65.4049 31.5039 175.3728 80 E 4.8902 7.9116 119.7436 54.6875 33.2389 172.7147 81 L 5.1762 8.2885 123.9419 53.8285 43.0775 175.8483 82 D 4.5928 8.0980 122.7072 53.3946 41.5156 175.2018 83 P 4.3436 0.0000 0.0000 65.7401 32.1650 177.5764 84 S 4.4191 7.7291 116.0310 57.1563 61.6875 173.2985 85 A 4.4495 7.4335 124.7821 51.8333 20.2837 177.6149 86 K 4.9412 8.1362 117.3587 55.3807 36.7719 175.3895 87 I 4.5942 7.7239 121.5791 59.3346 39.6741 176.5701 88 E 4.7024 8.0432 130.3760 54.7846 27.5748 176.2717 89 V 3.7710 7.3893 120.5472 61.5024 33.4292 176.7232 90 T 4.4746 8.5504 122.2974 60.4757 71.0327 172.5090 91 Y 4.5480 7.3364 125.2405 54.8376 39.9382 176.1606 92 Y 4.6993 7.6126 127.6453 56.9882 36.5035 178.3297 93 D 4.6702 7.8773 120.4435 53.1380 41.0220 175.4575 94 K 4.6663 8.0901 128.4236 54.6729 30.8392 175.4252 95 N 5.0901 7.7503 116.6248 54.2174 45.7800 175.2125 96 K 4.4359 7.6735 115.6867 57.6656 35.2840 177.0439 97 K 3.8827 8.6523 119.8253 59.0038 32.4437 178.4603 98 K 4.1909 7.8045 113.9552 55.1990 31.5546 175.0826 99 E 3.6733 8.5757 120.0874 56.4415 30.0829 176.4955 100 E 4.0780 7.5163 126.6105 54.9473 33.1513 175.0082 101 T 4.0584 8.1654 122.5481 62.7834 67.4975 173.6351 102 K 4.2241 8.5304 126.7518 55.0023 31.6936 177.0912 103 S 4.8114 7.9472 128.3028 56.8403 61.1510 174.5479 104 F 4.6540 7.9651 117.2890 56.7983 40.3830 173.6023 105 P 4.9502 0.0000 0.0000 61.3851 29.8515 178.9627 106 I 4.4892 8.1992 112.0187 60.3368 40.2556 172.3384 107 T 4.7990 7.8775 113.0276 59.5712 71.9446 174.8852 108 E 3.9375 8.9242 122.4119 59.2716 30.1383 178.2231 109 K 4.5470 7.5142 114.3132 54.8903 32.4918 175.4532 110 G 3.5607 7.5260 108.4200 45.5830 0.0000 172.0017 111 F 4.9145 6.8368 110.4193 54.9933 41.8241 174.3831 112 V 4.1706 8.4065 119.8394 62.0104 32.7034 175.4568 113 V 3.7552 7.8086 125.7491 62.9892 31.5790 174.3881 114 P 4.5740 0.0000 0.0000 61.8712 32.3592 175.6566 115 D 4.5741 8.2317 118.8597 54.2087 41.5703 176.2825 116 L 4.3179 8.1828 120.3516 56.2480 41.9957 179.4852 117 S 3.4571 8.4027 113.9480 59.7342 62.5998 170.5120 118 E 4.7699 8.8812 116.3962 57.3755 37.4300 175.5323 119 H 4.7958 7.3914 112.7344 54.5804 29.1198 174.8336 120 I 4.2891 7.2654 116.0070 61.4035 40.9880 172.9631 121 K 4.3423 8.9497 128.2807 57.6989 33.3254 176.1681 122 N 5.1889 7.6632 115.3221 50.1545 36.5826 171.7308 123 P 4.2562 0.0000 0.0000 63.0923 32.9114 176.9549 124 G 3.3196 7.8010 109.8702 43.9988 0.0000 172.1698 125 F 4.2912 8.3726 117.1919 58.8684 40.4940 175.3984 126 N 5.0865 8.6713 123.2105 51.6391 38.5132 173.5881 127 L 4.5608 8.6725 122.9741 54.5230 40.7083 174.0649 128 I 4.9843 8.2852 121.4709 58.5112 41.1417 174.0211 129 T 4.7786 8.3823 123.6884 61.2564 71.4147 173.4564 130 K 4.5333 8.5073 127.6535 55.9324 33.0886 175.9340 131 V 4.6946 8.2912 119.0381 59.8276 36.8870 174.8522 132 V 4.2003 8.4771 123.8352 61.7851 31.6184 174.5659 133 I 4.2417 8.1191 128.6189 60.5770 38.3879 175.2355 134 E 4.3014 8.5611 127.2615 54.6885 31.1596 174.6697 135 K 4.6835 8.6118 130.2527 54.8917 31.7555 176.5106 136 K 4.1467 8.2321 124.2772 56.6723 32.8344 177.4389 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 8.19 4.47 0.00 3.83 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 2 S 7.66 4.42 0.00 4.00 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 3 S 7.51 3.93 0.00 3.61 3.26 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 4 F 7.42 3.56 0.00 2.64 1.74 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 5 D 8.34 4.87 0.00 2.76 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 6 K 8.19 4.12 0.00 1.70 1.82 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.44 7.81 7 G 7.22 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 0.00 0.00 0.00 8 K 7.69 3.85 0.00 1.85 1.88 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.25 7.81 9 Y 8.14 4.35 0.00 2.89 2.93 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 10 K 8.57 3.51 0.00 1.76 1.99 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.08 1.31 7.81 11 K 8.06 3.62 0.00 1.94 2.00 0.00 1.54 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.21 1.27 7.81 12 G 6.39 3.50 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 13 D 7.18 4.45 0.00 2.71 2.55 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 14 D 7.74 4.36 0.00 2.48 2.47 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 15 A 7.10 4.30 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 16 S 7.96 4.18 0.00 3.95 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 17 Y 7.48 3.81 0.00 2.66 2.60 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 18 F 9.17 3.24 0.00 3.04 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 19 E 8.10 3.71 0.00 1.76 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 1.85 2.10 0.00 20 P 0.00 4.58 0.00 2.23 2.19 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 21 T 7.97 4.20 4.31 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 1.50 0.00 0.00 22 G 7.33 4.28 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 23 P 0.00 5.11 0.00 2.18 2.16 0.00 3.90 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 2.07 2.03 0.00 24 Y 7.96 4.87 0.00 3.19 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 25 L 9.07 5.04 0.00 1.84 1.88 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.36 4.54 0.00 2.43 2.14 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 27 V 7.79 4.50 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 0.34 0.00 0.00 1.09 0.00 0.00 28 N 8.39 4.69 0.00 2.56 2.42 0.00 0.00 5.19 6.10 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 29 V 8.14 4.48 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 0.83 0.00 0.00 1.06 0.00 0.00 30 T 8.35 4.23 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 1.30 0.00 0.00 31 G 8.67 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 0.00 0.00 0.00 32 V 8.07 4.94 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 1.02 0.00 0.00 0.98 0.00 0.00 33 D 8.64 4.31 0.00 2.74 2.81 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 34 S 7.44 4.51 0.00 3.95 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 35 K 7.84 4.10 0.00 1.74 1.76 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.44 7.81 36 G 7.40 4.16 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 0.00 0.00 0.00 37 N 8.09 4.52 0.00 2.92 2.80 0.00 0.00 7.08 6.96 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 38 E 8.41 4.33 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 2.39 2.42 0.00 39 L 8.56 4.34 0.00 1.72 1.72 0.95 0.97 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 40 L 7.59 4.86 0.00 1.71 1.63 1.19 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 S 9.34 5.12 0.00 3.96 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 42 P 0.00 4.56 0.00 1.95 2.23 0.00 3.75 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 1.56 1.92 0.00 43 H 8.81 4.32 0.00 3.39 3.52 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.68 4.40 0.00 2.84 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 45 V 6.91 4.09 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 0.29 0.00 0.00 0.92 0.00 0.00 46 E 7.73 4.55 0.00 1.77 1.54 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 2.37 2.17 0.00 47 F 8.82 5.29 0.00 3.07 2.88 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 48 P 0.00 4.76 0.00 2.15 2.13 0.00 3.99 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 2.08 2.05 0.00 49 I 8.47 3.77 1.93 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.68 0.97 0.00 0.00 50 K 8.20 4.41 0.00 1.70 1.67 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.60 7.81 51 P 0.00 4.35 0.00 2.12 1.96 0.00 3.89 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 1.95 1.93 0.00 52 G 8.38 4.96 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 0.00 0.00 0.00 53 T 6.97 3.80 4.06 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 0.98 0.00 0.00 54 T 8.24 4.24 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 1.09 0.00 0.00 55 L 8.06 4.33 0.00 1.59 1.65 1.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.48 4.48 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 0.88 0.00 0.00 57 K 8.72 3.76 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.62 7.81 58 E 8.29 3.93 0.00 2.12 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 0.00 2.34 2.24 0.00 59 K 7.12 3.62 0.00 1.57 1.39 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.20 1.19 7.81 60 I 7.14 4.23 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.73 0.90 0.00 0.00 61 E 7.68 3.88 0.00 2.10 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 2.29 2.31 0.00 62 Y 7.18 3.60 0.00 1.63 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 63 Y 7.25 4.17 0.00 2.69 2.81 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 64 V 7.41 3.45 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 0.95 0.00 0.00 1.01 0.00 0.00 65 E 7.44 3.97 0.00 2.13 1.64 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 2.82 2.74 0.00 66 W 8.34 4.63 0.00 3.53 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 67 A 7.63 4.06 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 68 L 7.78 4.27 0.00 2.06 1.96 -0.24 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.94 4.46 0.00 2.92 2.53 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 70 A 7.98 4.53 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 71 T 7.86 4.78 4.60 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 1.36 0.00 0.00 72 A 8.31 4.14 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 73 Y 9.01 3.89 0.00 3.13 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 74 K 7.91 4.39 0.00 1.92 1.73 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.61 7.81 75 E 7.97 4.73 0.00 1.96 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 2.34 2.20 0.00 76 F 8.00 4.76 0.00 3.10 3.04 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 77 R 7.73 4.33 0.00 1.71 1.87 0.00 3.35 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 78 V 7.53 3.39 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 0.77 0.00 0.00 0.44 0.00 0.00 79 V 8.17 3.76 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 0.69 0.00 0.00 0.92 0.00 0.00 80 E 7.91 4.89 0.00 2.03 1.70 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 2.28 2.31 0.00 81 L 8.29 5.18 0.00 1.64 1.61 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.10 4.59 0.00 2.86 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 83 P 0.00 4.34 0.00 2.18 2.18 0.00 3.76 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 1.99 1.99 0.00 84 S 7.73 4.42 0.00 3.88 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 A 7.43 4.45 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 K 8.14 4.94 0.00 1.69 1.79 0.00 1.23 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.34 7.81 87 I 7.72 4.59 0.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.45 1.03 0.00 0.00 88 E 8.04 4.70 0.00 1.79 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 2.20 2.16 0.00 89 V 7.39 3.77 1.55 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 1.17 0.00 0.00 -0.09 0.00 0.00 90 T 8.55 4.47 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 0.79 0.00 0.00 91 Y 7.34 4.55 0.00 2.82 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 Y 7.61 4.70 0.00 3.16 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 93 D 7.88 4.67 0.00 2.84 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 94 K 8.09 4.67 0.00 1.73 1.72 0.00 1.74 0.00 0.00 1.41 0.00 0.00 2.65 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.61 1.53 7.81 95 N 7.75 5.09 0.00 2.85 2.79 0.00 0.00 7.11 7.61 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 96 K 7.67 4.44 0.00 1.63 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.42 7.81 97 K 8.65 3.88 0.00 1.77 1.89 0.00 1.77 0.00 0.00 1.30 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.80 7.81 98 K 7.80 4.19 0.00 2.03 1.95 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.44 7.81 99 E 8.58 3.67 0.00 1.84 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 2.00 1.74 0.00 100 E 7.52 4.08 0.00 1.16 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 2.13 2.26 0.00 101 T 8.17 4.06 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 1.13 0.00 0.00 102 K 8.53 4.22 0.00 1.92 2.07 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.68 7.81 103 S 7.95 4.81 0.00 3.88 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 0.00 104 F 7.97 4.65 0.00 3.21 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 0.00 105 P 0.00 4.95 0.00 2.26 1.24 0.00 3.65 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 106 I 8.20 4.49 1.98 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 1.42 0.42 0.92 0.00 0.00 107 T 7.88 4.80 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 1.30 0.00 0.00 108 E 8.92 3.94 0.00 1.97 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 2.31 2.27 0.00 109 K 7.51 4.55 0.00 1.66 1.67 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.39 7.81 110 G 7.53 3.56 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 0.00 0.00 0.00 0.00 111 F 6.84 4.91 0.00 3.12 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 0.00 112 V 8.41 4.17 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 0.76 0.00 0.00 0.92 0.00 0.00 113 V 7.81 3.76 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 0.39 0.00 0.00 0.85 0.00 0.00 114 P 0.00 4.57 0.00 2.15 1.94 0.00 3.98 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.84 0.00 115 D 8.23 4.57 0.00 2.65 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 0.00 116 L 8.18 4.32 0.00 1.73 1.79 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.40 3.46 0.00 3.80 3.46 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 0.00 118 E 8.88 4.77 0.00 1.80 1.66 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 2.10 2.20 0.00 119 H 7.39 4.80 0.00 3.29 3.35 0.00 5.64 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.27 4.29 1.88 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 1.26 0.51 0.82 0.00 0.00 121 K 8.95 4.34 0.00 1.79 1.86 0.00 1.80 0.00 0.00 1.95 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 122 N 7.66 5.19 0.00 3.05 3.07 0.00 0.00 6.39 8.16 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 0.00 123 P 0.00 4.26 0.00 2.25 1.74 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 124 G 7.80 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 0.00 125 F 8.37 4.29 0.00 3.09 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 0.00 126 N 8.67 5.09 0.00 2.78 2.83 0.00 0.00 7.19 6.87 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 0.00 127 L 8.67 4.56 0.00 1.76 1.70 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.29 4.98 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.83 0.92 0.00 0.00 129 T 8.38 4.78 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 1.21 0.00 0.00 130 K 8.51 4.53 0.00 1.82 1.69 0.00 1.72 0.00 0.00 1.94 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.27 7.81 131 V 8.29 4.69 2.14 0.00 0.00 0.00 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 1.05 0.00 0.00 132 V 8.48 4.20 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 1.08 0.00 0.00 0.98 0.00 0.00 133 I 8.12 4.24 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.97 0.00 0.00 134 E 8.56 4.30 0.00 2.05 1.78 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 2.24 2.28 0.00 135 K 8.61 4.68 0.00 1.82 1.73 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.62 7.81 136 K 8.23 4.15 0.00 1.88 1.74 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.40 7.81