NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4766 8.3049 120.3305 55.5401 32.9943 174.4378 2 M 4.4871 8.5420 123.6490 52.9406 34.4954 170.2910 3 V 4.4252 8.2663 121.4819 60.6654 34.5500 174.1012 4 W 4.6013 8.9760 135.0000 57.5276 31.1430 175.3873 5 T 4.0819 8.1369 123.5063 61.2382 67.3096 172.5275 6 P 4.5126 0.0000 0.0000 63.3797 32.2088 175.7397 7 V 4.0037 7.4346 119.6631 62.7977 32.6246 175.3696 8 N 4.2108 8.6964 125.3818 54.8983 36.0254 173.3701 9 N 5.0640 7.5919 108.4866 52.9927 40.1335 174.1924 10 K 4.1756 8.2577 115.7367 56.5167 32.7699 176.2950 11 M 5.1107 8.3248 119.8874 53.9270 35.7824 175.0751 12 F 4.5868 8.3599 116.6227 57.2857 41.0741 176.6148 13 E 3.5318 8.3647 121.5952 57.0746 27.6394 175.2952 14 T 3.8718 8.3647 122.0209 66.4600 68.8531 174.3215 15 F 4.5385 9.0001 124.2434 57.6253 36.9179 176.4996 16 S 4.4468 8.2041 114.6241 60.4688 62.8877 174.4845 17 Y 4.4130 8.3030 117.4018 58.1321 38.1225 174.9846 18 L 4.7386 7.6709 120.3402 52.0149 43.8062 174.4796 19 P 4.4156 0.0000 0.0000 62.0699 31.7580 174.9780 20 P 4.2897 0.0000 0.0000 62.7502 31.7733 176.4323 21 L 3.9694 8.3327 122.7144 54.7485 42.1188 177.9872 22 T 4.1928 8.2128 114.0974 61.2754 71.0096 175.2032 23 D 4.3260 8.5351 121.0167 57.5778 40.7696 178.7479 24 E 3.9271 8.0891 119.3321 59.2895 29.7663 178.7723 25 Q 3.9231 7.9998 118.2848 58.6511 28.6637 178.5680 26 I 3.6685 8.0126 120.8868 64.4191 37.1470 178.0719 27 A 4.0039 8.1914 121.4215 55.4219 18.1314 179.5715 28 A 3.9612 8.0506 119.0191 55.4078 18.4331 179.9350 29 Q 4.0783 8.0752 116.4946 59.0224 28.7637 179.0821 30 V 3.7240 8.2958 119.6143 66.1985 31.6010 177.6587 31 D 4.4247 8.5284 118.9960 57.6820 40.5351 178.2978 32 Y 4.1792 8.1688 119.8413 60.6627 38.8329 178.0511 33 I 3.8904 7.9618 120.7505 64.5978 37.3291 178.6221 34 V 3.5141 7.8310 118.6237 65.9850 31.1937 177.8990 35 A 3.9200 8.1546 119.5985 54.5820 18.2368 178.3441 36 N 4.0822 7.1247 112.2552 52.1231 38.7435 175.6534 37 G 3.7651 7.4041 108.2829 46.1407 0.0000 174.0676 38 W 4.9763 7.5519 118.8460 55.9805 30.7879 176.2043 39 I 4.3977 8.9997 122.9953 59.4839 37.9839 174.0462 40 P 4.8965 0.0000 0.0000 62.8747 32.7462 175.1657 41 C 4.9914 8.8727 121.6950 58.3485 35.5477 172.4912 42 L 5.3094 8.7456 123.9366 53.3004 44.3632 175.1801 43 E 5.6060 9.1614 120.6122 55.0442 34.2769 174.4931 44 F 5.6221 8.9900 115.5823 56.1325 42.0428 172.9334 45 A 4.5154 8.2859 119.8279 50.3578 22.6269 176.3094 46 E 4.2709 8.6248 118.9657 55.7496 30.6218 177.6659 47 A 4.2896 8.8478 123.0240 55.8795 18.4152 179.8192 48 D 4.5104 8.1595 113.3388 56.3978 41.0581 177.1945 49 K 4.6060 7.9521 117.1109 56.0385 32.5883 176.8606 50 A 3.8894 7.6570 124.3694 54.0190 18.8173 178.2783 51 Y 4.6596 7.4356 111.3879 55.6291 40.0925 175.7636 52 V 3.8569 8.3254 122.4398 63.8912 32.0384 175.2546 53 S 4.7293 8.7587 119.3173 56.8264 66.1681 173.7430 54 N 5.1655 8.5991 114.5520 52.6836 38.9141 176.0096 55 E 3.9063 8.2979 120.9235 59.9020 29.4023 179.1323 56 S 4.1153 8.7130 115.0160 60.4470 62.9049 175.9707 57 A 2.5800 7.7519 123.5730 53.5050 17.7585 179.0344 58 I 3.5625 6.8501 115.5085 63.7202 38.0146 177.1272 59 R 4.2736 7.4387 116.3347 55.7754 30.5545 176.3124 60 F 5.0411 7.1961 118.0859 56.0596 41.2023 177.4995 61 G 4.0424 8.2460 117.4783 46.3387 0.0000 176.0593 62 S 4.6304 8.4313 114.8527 58.1111 61.8974 174.3908 63 V 4.4851 7.2051 107.0810 61.1723 33.4307 177.5934 64 S 4.5114 8.2395 115.0292 59.5682 63.5438 173.3041 65 C 4.0023 8.0838 119.1484 61.4374 27.8808 173.1102 66 L 3.5576 8.4151 123.3858 55.6144 38.8948 173.2782 67 Y 4.3578 7.7275 119.8814 56.0247 39.7547 174.5895 68 Y 4.9052 7.3126 123.5630 56.2021 42.3161 174.8986 69 D 4.4872 8.8155 123.4636 55.3669 41.6872 176.6775 70 N 4.4559 8.8671 116.4092 54.4314 35.9180 176.1743 71 R 3.9675 8.0475 118.6854 59.3495 30.3974 177.1787 72 Y 4.3402 7.6843 114.4765 57.9932 38.3558 175.3617 73 W 5.0589 8.6765 124.2410 55.4903 32.6751 174.4761 74 T 4.3248 8.1646 117.2658 62.4307 69.5383 174.6254 75 M 4.5888 8.5408 126.7893 55.4087 33.1385 175.2438 76 W 4.8142 9.4512 135.0000 56.1048 31.1837 176.8918 77 K 3.4032 8.5199 129.1598 57.6884 30.5303 177.7719 78 L 4.9295 8.2302 125.5689 52.6480 44.9063 174.0416 79 P 4.3540 0.0000 0.0000 63.4357 32.2373 177.6159 80 M 4.2994 8.6412 123.4654 53.6230 30.4201 175.3493 81 F 4.4772 7.4466 118.8835 58.7771 39.9724 176.3895 82 G 3.9776 9.1332 112.5025 45.6443 0.0000 173.0005 83 C 4.3055 7.8910 120.5073 59.5500 31.7906 173.2457 84 R 4.5749 8.6295 124.1935 55.5234 31.4398 174.4230 85 D 4.7847 7.8729 117.9715 51.3358 42.9379 174.4446 86 P 4.3542 0.0000 0.0000 65.8843 31.2228 178.5304 87 M 4.0955 8.1731 117.2474 58.3303 31.9305 178.4855 88 Q 3.9680 8.0305 119.3979 59.0329 29.2176 178.6090 89 V 3.6110 7.6345 118.7766 66.0463 31.7549 177.6927 90 L 4.0184 8.0449 118.7562 58.1080 41.4332 179.8482 91 R 3.9781 8.3406 118.0525 59.3069 29.9404 179.0208 92 E 4.1198 8.2352 118.0791 59.1462 29.4044 179.2272 93 I 3.4986 7.7790 120.0176 64.3539 37.2344 178.4051 94 V 3.4643 7.6861 118.5702 66.0634 31.3802 177.8965 95 A 3.9595 8.0398 120.4088 55.1535 18.2376 179.2330 96 C 2.0000 7.7678 117.7129 62.0783 31.3618 175.9806 97 T 3.7377 7.6136 111.4017 64.4158 67.9869 176.4156 98 K 3.8144 7.7044 121.6793 59.2950 32.3122 178.4473 99 A 3.9788 7.5300 119.9082 53.4212 19.7164 177.6219 100 F 4.7226 7.6836 115.7868 55.0257 39.0166 174.0161 101 P 4.4677 0.0000 0.0000 64.1913 31.8760 177.8848 102 D 4.6475 8.0636 116.6181 53.9015 41.2895 175.4837 103 A 4.6937 7.3030 121.4031 50.4293 21.3666 176.8768 104 Y 4.2334 8.6102 117.7886 57.7781 39.4486 175.2191 105 V 5.2302 8.7735 123.3188 61.0917 35.1104 174.3067 106 R 4.9840 9.4164 123.8838 54.2546 32.9654 173.8737 107 L 4.8166 8.0112 123.6736 53.9870 43.8510 175.6875 108 V 4.7557 8.6245 118.2498 59.4693 36.3321 174.1650 109 A 4.9075 8.0354 121.6147 50.4349 22.9022 175.1413 110 F 5.2617 8.9926 119.6535 55.7701 42.4592 174.1995 111 D 5.3933 8.7411 122.6816 52.7811 42.3135 176.6358 112 N 4.7510 9.1473 122.9437 54.1736 38.4049 176.3434 113 Q 4.1777 8.7001 118.8000 58.8893 28.9741 177.4876 114 K 4.0519 8.2678 114.4946 56.7139 33.0852 176.3998 115 Q 3.4364 7.9709 118.7327 56.0187 27.1094 172.7442 116 V 4.5246 7.7546 117.1123 59.9651 35.0764 174.3679 117 Q 4.4107 8.7465 123.3540 56.5534 29.3125 175.5389 118 I 4.1447 8.0928 124.3897 61.1429 39.8119 174.3669 119 M 4.6514 6.8425 119.7338 54.6912 35.8790 173.2866 120 G 4.8074 8.3345 107.9605 46.8440 0.0000 172.4627 121 F 5.0734 7.1688 117.4410 55.2551 41.2190 172.9977 122 L 4.5503 8.8041 122.9801 55.6377 42.0510 176.8190 123 V 4.5126 8.8933 118.1532 61.4551 33.9815 175.5979 124 Q 4.6257 7.7590 121.1022 54.4929 32.4217 173.1342 125 R 4.4252 8.0783 121.4207 52.9194 32.6505 173.4833 126 P 4.1245 0.0000 0.0000 63.3893 31.6923 178.2818 127 K 4.1095 8.5052 122.1898 57.2751 31.8019 177.1166 128 S 4.5029 7.9419 109.2478 58.7958 63.5226 174.0637 129 A 4.2988 7.9758 125.9103 52.8077 18.3653 177.6746 130 R 4.5801 8.8628 120.5196 56.0551 31.4565 175.6617 131 D 4.9545 8.4157 117.4195 52.5192 39.7634 175.5990 132 W 5.5272 7.6474 114.8616 55.2939 31.2767 174.0541 133 Q 4.3237 8.4420 118.4772 53.0125 30.6334 174.1355 134 P 4.5205 0.0000 0.0000 62.4519 31.9306 176.9043 135 A 3.9751 8.9984 123.5296 55.7007 18.1428 179.2263 136 N 4.5823 8.2298 111.6619 54.4887 37.7989 176.1145 137 K 4.4845 7.8993 119.5986 54.4674 32.8647 182.6675 138 R 3.6675 7.5561 120.6629 58.7848 30.1443 176.7572 139 S 5.0844 7.4893 110.1828 56.3326 66.0653 174.2392 140 V 3.9899 8.4698 114.3637 61.7539 32.2054 175.6210 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 4.48 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.54 4.49 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 3 V 8.27 4.43 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 1.10 0.00 0.00 0.97 0.00 0.00 4 W 8.98 4.60 0.00 3.46 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 5 T 8.14 4.08 4.09 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 0.00 0.00 1.00 0.00 0.00 6 P 0.00 4.51 0.00 2.23 2.19 0.00 3.78 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 1.96 1.96 0.00 7 V 7.43 4.00 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 0.76 0.00 0.00 0.90 0.00 0.00 8 N 8.70 4.21 0.00 2.90 2.89 0.00 0.00 6.81 8.00 0.00 0.00 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 N 7.59 5.06 0.00 2.65 2.68 0.00 0.00 7.30 6.68 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 10 K 8.26 4.18 0.00 1.95 1.50 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.62 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.35 1.47 7.81 11 M 8.32 5.11 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.68 0.00 12 F 8.36 4.59 0.00 3.11 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 13 E 8.36 3.53 0.00 2.15 1.75 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 2.20 2.14 0.00 14 T 8.36 3.87 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 0.19 0.00 0.00 15 F 9.00 4.54 0.00 3.30 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 16 S 8.20 4.45 0.00 4.14 4.21 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 17 Y 8.30 4.41 0.00 3.03 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 18 L 7.67 4.74 0.00 1.84 1.61 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.42 0.00 2.04 2.02 0.00 3.71 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 2.04 2.15 0.00 20 P 0.00 4.29 0.00 2.05 1.99 0.00 3.73 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 2.11 2.20 0.00 21 L 8.33 3.97 0.00 1.59 1.50 0.36 0.53 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 22 T 8.21 4.19 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 1.18 0.00 0.00 23 D 8.54 4.33 0.00 2.70 2.76 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 24 E 8.09 3.93 0.00 2.01 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 2.35 2.38 0.00 25 Q 8.00 3.92 0.00 2.29 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 26 I 8.01 3.67 2.05 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 1.61 0.84 1.08 0.00 0.00 27 A 8.19 4.00 1.39 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 28 A 8.05 3.96 1.37 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 29 Q 8.08 4.08 0.00 2.45 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.33 1.82 0.00 30 V 8.30 3.72 2.30 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 1.14 0.00 0.00 1.10 0.00 0.00 31 D 8.53 4.42 0.00 2.96 2.76 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 32 Y 8.17 4.18 0.00 3.21 3.31 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 I 7.96 3.89 2.18 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.15 1.06 0.00 0.00 34 V 7.83 3.51 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 1.03 0.00 0.00 1.01 0.00 0.00 35 A 8.15 3.92 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 36 N 7.12 4.08 0.00 1.44 1.42 0.00 0.00 7.02 8.91 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 37 G 7.40 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 38 W 7.55 4.98 0.00 3.34 3.08 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 39 I 9.00 4.40 2.11 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.74 0.00 0.00 40 P 0.00 4.90 0.00 2.09 1.98 0.00 3.79 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.87 4.99 0.00 3.08 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 42 L 8.75 5.31 0.00 1.85 1.62 0.93 0.78 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 43 E 9.16 5.61 0.00 2.05 2.06 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 2.35 2.32 0.00 44 F 8.99 5.62 0.00 3.05 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 45 A 8.29 4.52 -0.16 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 46 E 8.62 4.27 0.00 2.18 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 0.00 2.30 2.29 0.00 47 A 8.85 4.29 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.16 4.51 0.00 2.71 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 49 K 7.95 4.61 0.00 1.51 1.70 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 A 7.66 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.44 4.66 0.00 2.94 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 52 V 8.33 3.86 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 0.63 0.00 0.00 0.77 0.00 0.00 53 S 8.76 4.73 0.00 4.08 3.99 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 0.00 0.00 0.00 54 N 8.60 5.17 0.00 2.74 2.85 0.00 0.00 6.56 7.66 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 55 E 8.30 3.91 0.00 2.15 2.24 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 2.39 2.38 0.00 56 S 8.71 4.12 0.00 4.04 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 57 A 7.75 2.58 1.11 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 58 I 6.85 3.56 1.78 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 1.48 0.81 0.84 0.00 0.00 59 R 7.44 4.27 0.00 1.94 2.02 0.00 3.20 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 60 F 7.20 5.04 0.00 3.01 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 61 G 8.25 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 0.00 0.00 0.00 62 S 8.43 4.63 0.00 3.86 3.85 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 0.00 0.00 0.00 63 V 7.21 4.49 1.87 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 0.67 0.00 0.00 0.51 0.00 0.00 64 S 8.24 4.51 0.00 4.10 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 0.00 65 C 8.08 4.00 0.00 2.97 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 66 L 8.42 3.56 0.00 1.79 1.77 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.73 4.36 0.00 2.97 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 68 Y 7.31 4.91 0.00 2.81 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 69 D 8.82 4.49 0.00 2.80 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 70 N 8.87 4.46 0.00 3.06 3.24 0.00 0.00 6.99 7.66 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 71 R 8.05 3.97 0.00 1.54 1.67 0.00 3.09 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 72 Y 7.68 4.34 0.00 3.06 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 73 W 8.68 5.06 0.00 3.09 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 74 T 8.16 4.32 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 0.90 0.00 0.00 75 M 8.54 4.59 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.77 0.00 76 W 9.45 4.81 0.00 3.73 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 77 K 8.52 3.40 0.00 1.72 0.89 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.81 0.21 7.81 78 L 8.23 4.93 0.00 1.62 1.61 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.35 0.00 0.75 1.87 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 80 M 8.64 4.30 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 81 F 7.45 4.48 0.00 3.11 2.99 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 0.00 0.00 0.00 82 G 9.13 3.98 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 0.00 0.00 0.00 83 C 7.89 4.31 0.00 3.05 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 84 R 8.63 4.57 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 85 D 7.87 4.78 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.35 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.17 4.10 0.00 2.06 2.27 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 2.63 2.71 0.00 88 Q 8.03 3.97 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.63 3.61 2.25 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 1.05 0.00 0.00 1.02 0.00 0.00 90 L 8.04 4.02 0.00 1.89 1.73 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.34 3.98 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 92 E 8.24 4.12 0.00 2.25 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 0.00 2.61 2.65 0.00 93 I 7.78 3.50 2.00 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 1.34 0.74 0.85 0.00 0.00 94 V 7.69 3.46 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 0.97 0.00 0.00 0.90 0.00 0.00 95 A 8.04 3.96 1.53 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 0.00 0.00 96 C 7.77 2.00 0.00 1.23 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 0.00 0.00 0.00 97 T 7.61 3.74 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 1.14 0.00 0.00 98 K 7.70 3.81 0.00 1.80 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.38 7.81 99 A 7.53 3.98 1.13 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 0.00 100 F 7.68 4.72 0.00 2.80 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 0.00 101 P 0.00 4.47 0.00 2.12 2.11 0.00 3.25 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.06 4.65 0.00 2.68 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 0.00 103 A 7.30 4.69 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 0.00 104 Y 8.61 4.23 0.00 2.53 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 0.00 105 V 8.77 5.23 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 0.98 0.00 0.00 0.87 0.00 0.00 106 R 9.42 4.98 0.00 1.81 1.88 0.00 2.32 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.34 0.00 107 L 8.01 4.82 0.00 1.53 0.78 0.91 0.75 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 0.00 108 V 8.62 4.76 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 0.46 0.00 0.00 0.50 0.00 0.00 109 A 8.04 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.99 5.26 0.00 2.99 2.89 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 0.00 111 D 8.74 5.39 0.00 2.41 2.44 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 0.00 112 N 9.15 4.75 0.00 2.94 3.05 0.00 0.00 6.33 7.39 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 0.00 113 Q 8.70 4.18 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 114 K 8.27 4.05 0.00 1.75 1.86 0.00 2.05 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.45 7.81 115 Q 7.97 3.44 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 116 V 7.75 4.52 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 0.58 0.00 0.00 0.91 0.00 0.00 117 Q 8.75 4.41 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 118 I 8.09 4.14 1.26 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.37 -0.53 0.00 0.00 119 M 6.84 4.65 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 120 G 8.33 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 0.00 121 F 7.17 5.07 0.00 3.23 3.30 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 0.00 122 L 8.80 4.55 0.00 1.64 1.62 0.64 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.89 4.51 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 0.72 0.00 0.00 0.93 0.00 0.00 124 Q 7.76 4.63 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 125 R 8.08 4.43 0.00 1.20 1.48 0.00 2.21 0.00 0.00 2.69 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.25 0.00 126 P 0.00 4.12 0.00 2.10 2.17 0.00 2.20 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 127 K 8.51 4.11 0.00 1.80 1.78 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.00 7.81 128 S 7.94 4.50 0.00 4.00 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 0.00 129 A 7.98 4.30 1.59 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 0.00 130 R 8.86 4.58 0.00 1.81 1.90 0.00 3.35 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 131 D 8.42 4.95 0.00 2.94 2.99 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 0.00 0.00 0.00 132 W 7.65 5.53 0.00 3.65 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 0.00 133 Q 8.44 4.32 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.04 0.00 134 P 0.00 4.52 0.00 2.34 2.11 0.00 3.41 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 135 A 9.00 3.98 1.39 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 0.00 136 N 8.23 4.58 0.00 2.83 2.95 0.00 0.00 5.69 7.13 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 0.00 137 K 7.90 4.48 0.00 1.76 1.68 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.23 7.81 138 R 7.56 3.67 0.00 1.49 0.66 0.00 2.98 0.00 0.00 3.01 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.67 0.00 139 S 7.49 5.08 0.00 4.06 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 0.00 140 V 8.47 3.99 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 0.61 0.00 0.00 0.95 0.00 0.00