NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 N 4.5665 8.4249 118.0553 53.3509 39.0982 173.2637 21 Y 4.8247 7.9742 120.2451 53.6411 41.4417 174.8328 22 S 4.4755 9.2353 118.0581 57.5654 66.3969 174.5860 23 E 3.8950 8.7270 121.9947 59.8705 29.1511 178.7779 24 I 3.7390 7.6960 117.7381 63.9259 38.1122 177.3853 25 E 3.8673 7.8655 118.4418 59.5372 29.2316 179.5395 26 S 4.1391 8.2757 115.1645 61.4441 62.7863 176.9332 27 K 3.9297 7.8307 120.8623 59.3512 31.5552 179.6387 28 V 3.4661 7.4649 117.6027 65.9175 31.8466 177.9766 29 R 3.9111 7.8209 117.8835 59.1353 29.7510 178.6526 30 E 3.8316 8.2934 118.9296 59.2208 29.4570 178.7400 31 A 4.0179 8.1808 120.0538 54.0266 18.1486 177.9995 32 T 4.3170 7.2635 107.2141 61.1421 69.1222 174.3159 33 N 4.4755 7.4183 120.6954 53.2189 38.2569 174.2172 34 D 4.3130 8.1129 116.0678 54.8228 41.3862 176.8844 35 D 3.8151 7.6439 121.7194 53.3205 40.9830 175.8693 36 P 4.6067 0.0000 0.0000 61.6089 31.1032 175.6454 37 W 4.9257 7.5968 114.2144 57.6020 31.2462 174.8750 38 G 3.8573 8.7757 107.7265 43.7722 0.0000 171.1894 39 P 4.3362 0.0000 0.0000 61.9305 32.1555 176.9492 40 S 4.3071 8.6239 116.2409 58.6949 64.5826 175.5905 41 G 3.6534 8.7127 110.3684 48.2825 0.0000 175.9412 42 Q 3.9489 7.8932 119.5251 58.7499 28.8846 178.5452 43 L 3.9065 7.8962 121.2616 58.3251 42.0355 178.7567 44 M 3.8700 7.9250 118.8226 58.0991 31.6960 178.9098 45 G 3.7460 8.0284 106.0374 47.8964 0.0000 175.4543 46 E 3.9967 8.0316 121.0521 59.3003 29.3839 179.6477 47 I 3.6987 7.8464 119.4564 64.2601 36.9049 178.2988 48 A 4.1010 8.1857 120.9790 55.2103 18.5179 179.5480 49 K 4.3889 8.3048 116.8036 59.6885 32.1759 179.4961 50 A 4.1916 8.1808 120.9204 54.9585 18.0074 179.6501 51 T 4.1048 7.5124 107.7514 64.7952 68.7931 176.0825 52 F 4.5660 7.9839 118.4485 57.9871 39.3669 175.0677 53 M 4.4825 7.7798 120.2822 53.9042 31.9936 176.6503 54 Y 4.3278 8.5860 123.8725 59.9716 38.2409 177.6691 55 E 4.0377 7.6903 119.0028 58.2906 29.9507 177.7976 56 Q 4.4712 8.0328 117.1564 56.4573 29.9660 177.3863 57 F 4.1093 8.3418 121.7499 60.9864 39.3036 175.2661 58 P 4.1635 0.0000 0.0000 65.6190 31.2785 178.3988 59 E 3.9636 8.1517 116.9369 59.3023 29.3978 178.8024 60 L 3.7978 7.8634 120.1777 58.6064 42.1125 179.0278 61 M 3.6689 7.9203 118.7203 58.3459 31.8599 178.6999 62 N 4.4862 8.5354 117.0789 56.2492 38.5898 177.2536 63 M 3.8894 8.0598 119.8930 58.2823 32.2993 177.8194 64 L 3.6775 7.6061 120.4623 58.1569 42.1852 179.1835 65 W 4.3723 8.0011 118.7524 59.5739 28.8784 178.5714 66 S 4.1357 8.1985 113.2595 61.6495 61.6904 176.5826 67 R 3.9022 7.8923 119.4184 59.1512 29.7687 178.5219 68 M 4.1563 7.9246 117.5868 57.9805 32.4236 176.8181 69 L 4.7801 8.0992 116.1335 54.4105 43.9157 176.4923 70 K 4.4627 8.1619 118.3284 55.8863 33.8194 176.2395 71 D 4.4205 8.6552 124.2890 55.8906 38.0799 173.5567 72 N 5.0132 7.7834 112.3281 52.6041 38.3860 177.0870 73 K 3.9429 8.2565 119.3148 58.9375 32.3261 177.7591 74 K 4.7906 8.1559 115.6266 56.5120 32.9899 176.2968 75 N 4.8973 7.6546 116.9899 50.1224 38.8300 174.7683 76 W 4.2103 7.7365 121.5431 58.8063 28.5670 178.4721 77 R 2.8101 6.1562 118.3626 58.4031 29.3932 178.4433 78 R 3.8964 7.5516 119.2170 58.6848 29.8973 178.4063 79 V 3.4441 7.2262 116.8086 66.1072 31.4720 177.1373 80 Y 4.2274 8.0716 119.4915 60.9768 38.5537 178.4967 81 K 3.7546 8.5790 119.7035 59.1141 31.9814 179.5650 82 S 3.9694 7.9857 114.8266 61.2199 62.7730 176.6688 83 L 3.8919 7.7603 122.6104 57.3943 41.3739 179.3088 84 L 3.7816 7.8229 119.3004 57.5111 41.4291 179.2728 85 L 3.8300 7.9975 120.5268 58.0856 41.9730 178.5814 86 L 3.7372 8.0430 120.3560 58.1519 41.6906 178.7128 87 A 4.0590 8.1758 120.7089 55.4341 18.2677 178.9825 88 Y 3.9164 8.1390 117.9037 60.9119 38.8200 178.3271 89 L 4.0846 8.4186 120.2367 57.8013 41.4686 179.5057 90 I 3.7078 7.9660 119.5010 64.2824 37.0389 178.3181 91 R 4.1962 7.6343 118.0442 58.3474 30.2012 177.6986 92 N 4.9220 8.1656 113.3901 53.9852 40.5886 174.7302 93 G 3.9483 8.0438 109.4644 43.7073 0.0000 173.2529 94 S 3.5305 7.3737 113.4871 57.8715 62.8034 175.8285 95 E 3.9565 8.8374 125.3743 59.8763 28.9652 180.0830 96 R 3.8359 8.0229 118.1010 58.6266 29.7809 179.1244 97 V 3.7909 7.7047 118.4878 66.0329 31.5694 177.9252 98 V 3.5657 7.8427 117.4249 66.5875 31.1639 177.9486 99 T 3.8821 7.7142 115.0082 66.5324 68.2638 176.4765 100 S 4.2665 8.5768 115.1197 61.4973 62.2563 175.9032 101 A 4.3896 8.2822 122.1557 55.6442 18.4392 179.4598 102 R 3.9825 8.0486 116.3137 59.5592 29.9520 179.2034 103 E 4.1353 8.4598 117.0125 58.4006 29.6057 177.9688 104 H 4.5904 7.6787 115.9412 55.3749 29.5659 176.2432 105 I 3.5821 7.3754 123.9883 64.3724 37.6078 177.1552 106 Y 4.2373 7.6704 116.6118 60.2968 37.6580 177.4630 107 D 4.3874 8.0180 119.2242 57.2300 41.2852 178.1347 108 L 4.2660 7.9221 119.4524 58.0544 41.7167 179.8799 109 R 4.2187 8.2450 117.9349 58.9192 29.7202 178.9705 110 S 4.3718 7.7455 112.9476 60.4621 63.2630 175.3887 111 L 4.5881 7.8978 121.8119 55.0949 41.5265 177.8960 112 E 4.2625 8.1342 119.0475 58.3799 29.5523 177.2650 113 N 5.0555 7.9561 115.3944 52.6445 39.2699 173.7064 114 Y 4.0677 8.1148 120.3586 58.4510 39.2526 174.1954 115 H 5.0831 7.8363 126.5170 54.4044 32.0964 173.3784 116 F 4.2807 8.1394 125.7774 57.2687 42.7808 172.3416 117 V 4.7454 7.4892 126.3865 60.8811 33.8693 174.9579 118 D 4.8775 9.0527 128.4106 52.2937 41.6838 175.2135 119 E 3.9608 8.6065 118.0563 58.8928 29.2782 177.0068 120 H 4.0411 8.5729 122.5657 56.7545 24.9838 176.4895 121 G 3.8883 7.9924 106.8719 45.0892 0.0000 174.1632 122 K 3.9722 8.0016 122.3070 55.5550 32.6152 175.2943 123 D 4.8008 8.5508 126.3513 54.2675 40.8508 175.9083 124 Q 3.8952 8.6169 126.6565 56.4112 29.1881 178.1408 125 G 3.8444 7.9742 106.8292 47.6444 0.0000 175.2410 126 I 3.6942 7.8564 120.8628 64.1064 37.8802 177.6581 127 N 4.2124 7.7330 116.9717 56.1795 38.2488 177.3695 128 I 3.8766 7.6064 120.5232 64.5414 37.4168 178.4115 129 R 4.0132 8.1358 118.7698 59.4941 30.0121 179.2489 130 Q 4.0180 8.2256 117.6004 58.8309 28.6988 178.6594 131 K 4.0239 8.2836 120.8783 59.5902 32.2740 179.1818 132 V 3.6872 8.3648 119.8743 64.7834 31.2622 178.4799 133 K 4.0390 8.0537 118.6507 59.1951 31.7935 179.1760 134 E 3.9902 8.1855 118.6750 59.3237 29.4586 179.0369 135 L 4.0824 8.1598 120.4889 58.2894 42.2345 179.1612 136 V 3.6165 8.2915 118.4806 66.0607 31.2356 177.7841 137 E 3.9989 8.1039 117.1299 59.3398 29.6410 178.9191 138 F 4.5936 8.6526 120.6243 61.5163 39.3447 177.0070 139 A 3.7924 8.4000 119.1755 54.8495 18.2172 178.7454 140 Q 4.3933 7.8170 113.7552 55.9005 30.2129 176.7072 141 D 4.6745 7.5686 120.9607 52.8407 40.1700 175.8631 142 D 4.2726 8.1936 125.6318 56.5834 40.9079 177.2766 143 D 4.3220 8.0763 118.2287 57.5684 41.2631 178.3581 144 R 4.0559 8.3043 119.0875 59.0689 30.0844 177.9669 145 L 3.6843 8.1925 120.6267 58.1658 41.9680 178.9358 146 R 3.8481 7.9852 118.4167 59.4595 30.0004 178.0721 147 E 3.9373 7.8619 117.6506 59.2636 29.5885 178.4856 148 E 4.0164 8.2790 118.6507 59.6527 29.6993 179.6749 149 R 4.1007 8.2147 117.9698 59.0748 29.8837 179.0204 150 K 3.8832 8.1150 117.6062 59.5352 32.5617 178.7487 151 K 4.0199 8.5025 119.7037 59.6399 31.9939 178.5493 152 A 4.0118 8.2407 121.0252 55.2120 18.0284 179.7675 153 K 3.9472 7.7729 115.5757 59.3576 32.1542 179.2536 154 K 4.1625 7.7342 117.1691 58.1880 32.1144 176.7829 155 N 4.5348 7.7045 121.3368 53.3289 38.6258 174.7667 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 20 N 8.42 4.57 0.00 2.58 2.74 0.00 0.00 6.73 6.57 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 21 Y 7.97 4.82 0.00 3.00 2.84 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 22 S 9.24 4.48 0.00 4.06 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 23 E 8.73 3.90 0.00 2.05 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 2.38 2.39 0.00 24 I 7.70 3.74 2.02 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 1.61 1.00 0.89 0.00 0.00 25 E 7.87 3.87 0.00 2.38 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 2.26 2.35 0.00 26 S 8.28 4.14 0.00 4.05 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 27 K 7.83 3.93 0.00 1.94 1.79 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.67 7.81 28 V 7.46 3.47 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 0.68 0.00 0.00 0.85 0.00 0.00 29 R 7.82 3.91 0.00 1.95 1.85 0.00 2.51 0.00 0.00 2.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 30 E 8.29 3.83 0.00 2.06 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 0.00 2.25 2.28 0.00 31 A 8.18 4.02 1.23 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 0.00 0.00 32 T 7.26 4.32 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 1.09 0.00 0.00 33 N 7.42 4.48 0.00 2.63 2.77 0.00 0.00 6.84 7.95 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 34 D 8.11 4.31 0.00 2.52 2.56 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 35 D 7.64 3.82 0.00 1.71 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 0.00 0.00 0.00 36 P 0.00 4.61 0.00 2.30 2.15 0.00 3.28 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 2.34 2.06 0.00 37 W 7.60 4.93 0.00 3.31 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 38 G 8.78 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 0.00 0.00 0.00 39 P 0.00 4.34 0.00 2.04 2.11 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 40 S 8.62 4.31 0.00 4.26 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 41 G 8.71 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.89 3.95 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 43 L 7.90 3.91 0.00 1.71 1.56 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 44 M 7.93 3.87 0.00 0.71 1.27 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 2.47 2.27 0.00 45 G 8.03 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 46 E 8.03 4.00 0.00 2.22 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 2.33 2.58 0.00 47 I 7.85 3.70 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.84 0.00 0.00 48 A 8.19 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.30 4.39 0.00 2.08 1.97 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.82 7.81 50 A 8.18 4.19 1.44 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 51 T 7.51 4.10 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 1.29 0.00 0.00 52 F 7.98 4.57 0.00 3.20 3.15 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 53 M 7.78 4.48 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 54 Y 8.59 4.33 0.00 3.04 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 55 E 7.69 4.04 0.00 1.75 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 0.00 1.81 1.62 0.00 56 Q 8.03 4.47 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 57 F 8.34 4.11 0.00 3.16 3.13 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 58 P 0.00 4.16 0.00 2.26 2.17 0.00 3.73 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 59 E 8.15 3.96 0.00 2.00 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 2.43 2.39 0.00 60 L 7.86 3.80 0.00 1.80 1.64 0.93 0.57 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 61 M 7.92 3.67 0.00 1.82 1.58 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 62 N 8.54 4.49 0.00 2.77 2.90 0.00 0.00 6.66 7.41 0.00 0.00 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 M 8.06 3.89 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 64 L 7.61 3.68 0.00 1.42 1.34 0.52 -0.10 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 65 W 8.00 4.37 0.00 3.31 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 66 S 8.20 4.14 0.00 4.07 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 67 R 7.89 3.90 0.00 1.70 1.87 0.00 3.29 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 68 M 7.92 4.16 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 69 L 8.10 4.78 0.00 1.87 1.76 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.16 4.46 0.00 1.95 1.77 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.43 7.81 71 D 8.66 4.42 0.00 2.81 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 72 N 7.78 5.01 0.00 3.01 3.11 0.00 0.00 6.12 7.20 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 73 K 8.26 3.94 0.00 1.85 1.98 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.51 7.81 74 K 8.16 4.79 0.00 1.84 1.98 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.52 7.81 75 N 7.65 4.90 0.00 2.78 2.59 0.00 0.00 6.60 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 76 W 7.74 4.21 0.00 3.49 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 77 R 6.16 2.81 0.00 1.16 1.38 0.00 2.70 0.00 0.00 2.74 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 78 R 7.55 3.90 0.00 1.70 2.03 0.00 3.13 0.00 0.00 3.12 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.54 0.00 79 V 7.23 3.44 1.94 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 0.73 0.00 0.00 0.97 0.00 0.00 80 Y 8.07 4.23 0.00 3.18 2.95 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 81 K 8.58 3.75 0.00 1.66 1.81 0.00 1.44 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.32 7.81 82 S 7.99 3.97 0.00 3.88 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 83 L 7.76 3.89 0.00 1.79 1.68 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.82 3.78 0.00 1.55 1.54 0.56 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.00 3.83 0.00 1.63 1.71 0.79 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.04 3.74 0.00 1.51 1.65 0.69 1.06 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 87 A 8.18 4.06 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 88 Y 8.14 3.92 0.00 3.10 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 89 L 8.42 4.08 0.00 1.84 1.69 0.80 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.97 3.71 2.07 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 1.50 0.57 0.72 0.00 0.00 91 R 7.63 4.20 0.00 1.76 1.92 0.00 3.05 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 92 N 8.17 4.92 0.00 2.28 2.68 0.00 0.00 6.96 7.26 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 93 G 8.04 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 0.00 0.00 0.00 94 S 7.37 3.53 0.00 3.09 3.35 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 0.00 0.00 0.00 0.00 95 E 8.84 3.96 0.00 1.96 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 2.43 2.38 0.00 96 R 8.02 3.84 0.00 0.91 1.07 0.00 2.85 0.00 0.00 2.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.33 0.00 97 V 7.70 3.79 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 1.11 0.00 0.00 1.09 0.00 0.00 98 V 7.84 3.57 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 0.94 0.00 0.00 0.86 0.00 0.00 99 T 7.71 3.88 4.39 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 1.23 0.00 0.00 100 S 8.58 4.27 0.00 4.38 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 0.00 101 A 8.28 4.39 1.47 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 0.00 102 R 8.05 3.98 0.00 2.02 1.97 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 103 E 8.46 4.14 0.00 2.06 1.94 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 2.34 2.55 0.00 104 H 7.68 4.59 0.00 2.47 2.30 0.00 5.62 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 0.00 105 I 7.38 3.58 1.85 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 1.28 0.95 0.24 0.00 0.00 106 Y 7.67 4.24 0.00 3.13 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 0.00 107 D 8.02 4.39 0.00 2.64 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 0.00 108 L 7.92 4.27 0.00 1.98 1.79 1.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.24 4.22 0.00 2.10 2.08 0.00 3.07 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 110 S 7.75 4.37 0.00 4.05 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 0.00 111 L 7.90 4.59 0.00 1.95 1.83 0.99 0.81 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 0.00 112 E 8.13 4.26 0.00 2.14 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 0.00 2.41 2.40 0.00 113 N 7.96 5.06 0.00 2.72 2.81 0.00 0.00 6.87 7.46 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 0.00 114 Y 8.11 4.07 0.00 3.26 2.92 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 0.00 115 H 7.84 5.08 0.00 3.06 3.01 0.00 6.02 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.14 4.28 0.00 3.29 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 0.00 117 V 7.49 4.75 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 0.86 0.00 0.00 0.77 0.00 0.00 118 D 9.05 4.88 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 3.96 0.00 2.05 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 2.32 0.00 120 H 8.57 4.04 0.00 3.32 3.57 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.99 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 0.00 0.00 0.00 122 K 8.00 3.97 0.00 1.87 2.08 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.29 7.81 123 D 8.55 4.80 0.00 2.61 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 0.00 124 Q 8.62 3.90 0.00 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 125 G 7.97 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 0.00 126 I 7.86 3.69 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.32 0.85 0.00 0.00 127 N 7.73 4.21 0.00 2.42 1.89 0.00 0.00 6.97 8.71 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 0.00 128 I 7.61 3.88 2.03 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.25 0.82 0.00 0.00 129 R 8.14 4.01 0.00 1.91 2.05 0.00 3.40 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 130 Q 8.23 4.02 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 131 K 8.28 4.02 0.00 2.30 2.06 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.52 7.81 132 V 8.36 3.69 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 1.05 0.00 0.00 1.07 0.00 0.00 133 K 8.05 4.04 0.00 2.04 1.94 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.65 7.81 134 E 8.19 3.99 0.00 2.15 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 2.63 2.50 0.00 135 L 8.16 4.08 0.00 2.00 1.89 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.29 3.62 2.29 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 0.95 0.00 0.00 1.00 0.00 0.00 137 E 8.10 4.00 0.00 2.26 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 0.00 2.38 2.55 0.00 138 F 8.65 4.59 0.00 3.10 3.24 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 0.00 139 A 8.40 3.79 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 0.00 140 Q 7.82 4.39 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 141 D 7.57 4.67 0.00 2.91 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 0.00 142 D 8.19 4.27 0.00 2.70 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 0.00 143 D 8.08 4.32 0.00 2.79 2.85 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 0.00 144 R 8.30 4.06 0.00 2.09 2.32 0.00 3.22 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 2.01 1.76 0.00 145 L 8.19 3.68 0.00 1.80 1.50 0.75 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 146 R 7.99 3.85 0.00 1.88 2.03 0.00 3.32 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 147 E 7.86 3.94 0.00 2.14 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 2.34 2.37 0.00 148 E 8.28 4.02 0.00 2.44 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 0.00 2.55 2.86 0.00 149 R 8.21 4.10 0.00 2.07 1.99 0.00 3.20 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 150 K 8.11 3.88 0.00 1.90 1.89 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.47 7.81 151 K 8.50 4.02 0.00 1.96 1.81 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.61 7.81 152 A 8.24 4.01 1.45 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 0.00 153 K 7.77 3.95 0.00 1.99 1.89 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.68 7.81 154 K 7.73 4.16 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.68 7.81 155 N 7.70 4.53 0.00 2.67 2.72 0.00 0.00 6.82 7.45 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