NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.3114 8.2893 120.3115 57.1745 33.3540 173.7684 9 R 3.2629 7.1346 115.0291 52.4162 31.9756 173.2051 10 P 4.2788 0.0000 0.0000 62.2483 32.6501 177.0120 11 W 5.3631 7.6722 118.0612 55.6016 31.8978 177.3561 12 L 3.2069 8.0075 119.4728 56.7047 43.5863 178.1214 13 E 3.8037 8.0459 122.7642 59.1276 29.4292 178.0654 14 M 4.2938 8.9298 119.1627 56.5477 32.1620 178.4025 15 Q 3.8906 7.7611 118.4371 59.2503 30.3436 179.7651 16 I 3.9744 8.1585 113.6219 64.3871 37.4122 177.0994 17 N 4.2676 7.8652 117.6431 56.9103 38.8523 176.1669 18 S 4.2218 8.6343 114.0822 61.5960 62.4837 175.8906 19 N 3.7770 9.0049 119.2734 56.1193 38.5311 176.3880 20 Q 3.6166 8.5772 117.9230 56.7228 29.4828 176.9022 21 I 4.1067 8.3708 120.4072 59.7938 37.7597 174.2061 22 P 4.7677 0.0000 0.0000 62.5299 30.7740 178.8848 23 G 3.7855 8.4956 105.6417 43.6196 0.0000 170.1253 24 L 4.3223 6.8295 124.3185 53.6951 44.5595 176.0607 25 I 4.3831 6.2374 125.7586 60.8181 40.2740 173.0479 26 W 5.1429 7.4746 116.8657 54.5788 31.3952 173.7659 27 I 4.5598 8.4316 117.4868 59.8312 40.5228 175.7034 28 N 5.1122 8.3424 120.0676 52.0955 37.5915 177.2956 29 K 4.1985 7.8552 116.6974 54.6422 31.9803 176.2573 30 E 5.2511 6.8875 118.2901 57.1766 32.3652 175.7033 31 E 4.8392 7.5654 117.2626 54.3616 29.6612 174.3495 32 M 4.4872 7.4397 127.6350 55.8641 39.0507 176.8205 33 I 4.7770 7.9750 118.3290 60.1303 39.5212 174.1807 34 F 5.3449 8.5013 118.6462 56.3823 42.0895 172.5679 35 Q 4.8238 9.2177 118.0854 54.6818 32.1473 175.8055 36 I 3.9168 7.9634 117.0522 60.1523 41.8623 172.5639 37 P 4.9352 0.0000 0.0000 62.6012 29.4713 175.5393 38 W 4.2113 8.4360 135.0000 56.6182 31.3655 175.9076 39 K 3.8719 8.3511 119.2712 56.5023 32.2450 175.5557 40 H 4.1756 8.4932 125.6999 56.7424 30.2720 174.6363 41 A 3.6965 7.8367 126.4291 52.1241 18.9003 177.8525 42 A 4.5368 7.9511 121.9218 53.0513 21.0274 177.9521 43 K 4.0481 7.3358 114.0877 57.0894 32.7089 176.9870 44 H 4.3142 8.9081 118.8761 58.8978 28.9177 177.0164 45 G 3.8343 8.0168 107.8350 45.4173 0.0000 173.7849 46 W 4.5752 8.1893 131.5104 55.5898 29.9181 174.2247 47 D 4.3093 8.1979 126.7147 52.0519 41.2442 176.5750 48 I 2.6729 7.5121 127.4840 64.1682 37.7939 176.7748 49 N 4.7138 7.4647 111.7653 53.9924 37.9772 175.6593 50 K 4.4674 8.8592 117.2768 55.7154 34.5497 176.2449 51 D 4.4758 7.7310 115.1095 55.8099 43.0875 177.2076 52 A 3.8898 6.9319 120.6278 51.1391 16.1964 175.2792 53 C 4.4290 6.4821 119.2518 59.1880 31.4136 176.5750 54 L 4.0465 7.9254 120.7673 59.0239 41.7547 179.4842 55 F 4.1411 8.2722 116.9138 60.8272 38.8224 177.9104 56 R 3.1978 9.3917 118.8599 59.4986 29.8372 178.0159 57 S 3.9732 7.9058 111.8197 61.5942 62.4456 175.6697 58 W 4.3822 9.1665 130.8065 60.8002 30.4287 178.0638 59 A 3.9320 7.7896 120.3220 55.0438 17.9350 179.6425 60 I 4.1858 7.7932 113.0311 64.0472 37.5305 177.2020 61 H 4.0487 8.9082 121.0959 59.1897 29.7485 176.6671 62 T 3.6853 7.6894 112.5840 62.5508 68.4934 174.8407 63 G 3.8581 7.4208 109.4380 46.2323 0.0000 175.0831 64 R 4.1113 8.6717 121.6222 58.3220 30.4504 176.1335 65 Y 5.3950 7.6285 115.7618 54.4567 42.0504 173.6210 66 K 4.3052 7.4211 122.2873 54.1789 34.6334 175.0920 67 A 3.5397 8.0665 129.2232 53.2782 18.9957 177.0388 68 G 3.8136 8.7378 107.2921 46.0566 0.0000 173.3987 69 E 4.4498 7.5063 120.5427 54.7415 30.9389 176.6908 70 K 4.3299 8.5368 119.5703 56.7699 32.8393 176.7549 71 E 4.4740 7.7573 118.5423 54.3646 30.0921 174.1349 72 P 4.1812 0.0000 0.0000 64.4192 32.2229 177.4272 73 D 3.8018 6.1747 115.7482 54.5279 37.8139 173.1340 74 P 3.8969 0.0000 0.0000 61.6781 32.7388 177.8140 75 K 3.9757 7.7224 119.5874 60.2557 31.9782 178.6134 76 T 3.8720 8.2284 115.3168 67.0271 69.0788 177.5180 77 W 4.7450 8.2689 119.3865 59.3414 28.8975 178.5453 78 K 2.7294 8.3689 119.6417 59.3213 31.6677 178.2451 79 A 4.0479 8.3199 121.2866 55.3300 18.1979 178.9866 80 N 4.2262 8.2641 113.4776 56.8185 38.8361 177.2354 81 F 3.7230 8.5779 121.8185 61.6832 39.2124 176.1001 82 R 4.3315 10.0964 117.8082 57.7647 29.9037 178.4915 83 C 3.7981 8.3433 115.5144 62.8808 28.5698 175.8264 84 A 3.8751 8.1528 123.8705 55.0551 17.5875 179.2526 85 M 3.6786 7.4999 116.3771 58.9975 32.2129 178.0417 86 N 4.2074 8.5726 115.7513 55.0147 38.1712 178.2470 87 S 3.4587 8.1135 114.6806 60.2894 65.0279 173.4031 88 L 3.6907 7.3040 120.4557 52.5386 41.6941 175.5898 89 P 4.6453 0.0000 0.0000 63.3269 32.6926 175.3570 90 D 4.8952 7.8566 118.5197 53.0251 40.8077 176.5018 91 I 5.1257 7.6775 120.9840 61.5951 39.5588 173.0376 92 E 4.3998 9.3659 129.4024 54.6622 31.3121 174.5608 93 E 4.1814 8.5799 128.2654 55.8383 30.4829 176.7135 94 V 3.7234 8.4572 121.0494 61.0921 30.4498 177.0930 95 K 4.0409 8.4646 125.1938 58.6933 32.4617 178.4638 96 D 4.6860 7.6415 122.1923 52.7538 38.4756 177.2634 97 Q 5.9178 7.2364 135.0000 55.9107 31.1432 176.4529 98 S 4.5412 8.1360 109.6253 62.2057 63.0544 174.2290 99 R 3.5978 7.4793 119.3496 54.4225 30.9553 174.5839 100 N 4.8150 8.7202 117.2687 54.4597 40.9752 174.2857 101 K 4.5553 7.7216 117.5437 55.3993 35.4815 175.5667 102 G 4.0498 8.5984 112.0536 46.6461 0.0000 172.4174 103 S 4.9952 7.3738 112.2543 57.2831 66.4247 174.3765 104 S 5.1935 8.3090 113.0281 58.0811 65.5432 174.0973 105 A 4.6581 8.6909 122.4013 50.2355 21.5352 176.0313 106 V 4.5617 7.9898 119.7372 60.9970 35.1187 174.5138 107 R 4.9149 7.7994 122.1874 54.7409 33.4212 173.7879 108 V 4.5722 10.1090 119.3875 61.5256 34.3166 173.9163 109 Y 5.3303 8.1154 124.3915 56.7280 38.9667 175.9060 110 R 4.1497 9.0622 125.0358 56.5640 30.8370 176.9157 111 M 4.2437 8.6668 120.1838 55.5333 31.6001 176.0202 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 8 M 8.29 4.31 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 9 R 7.13 3.26 0.00 1.72 1.72 0.00 2.21 0.00 0.00 2.82 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 10 P 0.00 4.28 0.00 2.14 2.06 0.00 3.48 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 2.05 0.00 11 W 7.67 5.36 0.00 3.39 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 12 L 8.01 3.21 0.00 1.66 1.40 -1.22 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.05 3.80 0.00 1.81 1.95 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 2.14 2.04 0.00 14 M 8.93 4.29 0.00 2.13 2.11 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 2.62 2.98 0.00 15 Q 7.76 3.89 0.00 2.55 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.78 2.99 0.00 16 I 8.16 3.97 1.71 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 1.64 0.65 1.09 0.00 0.00 17 N 7.87 4.27 0.00 3.15 3.05 0.00 0.00 7.24 8.33 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 18 S 8.63 4.22 0.00 3.96 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 19 N 9.00 3.78 0.00 3.32 3.53 0.00 0.00 7.14 5.12 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 20 Q 8.58 3.62 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.97 0.00 0.00 0.00 0.00 0.00 3.43 3.03 0.00 21 I 8.37 4.11 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 1.78 0.80 0.90 0.00 0.00 22 P 0.00 4.77 0.00 2.07 1.10 0.00 3.53 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 23 G 8.50 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 6.83 4.32 0.00 1.39 1.18 0.96 1.54 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 25 I 6.24 4.38 1.93 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 1.47 0.39 1.00 0.00 0.00 26 W 7.47 5.14 0.00 3.51 3.37 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 27 I 8.43 4.56 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 1.00 0.00 0.00 28 N 8.34 5.11 0.00 2.73 3.01 0.00 0.00 6.94 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 29 K 7.86 4.20 0.00 1.91 1.98 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.49 7.81 30 E 6.89 5.25 0.00 2.08 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 2.09 2.15 0.00 31 E 7.57 4.84 0.00 1.99 1.90 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 2.22 2.25 0.00 32 M 7.44 4.49 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 33 I 7.98 4.78 1.90 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 1.38 0.56 0.90 0.00 0.00 34 F 8.50 5.34 0.00 3.51 3.09 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 0.00 35 Q 9.22 4.82 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 36 I 7.96 3.92 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.95 0.00 0.00 37 P 0.00 4.94 0.00 1.82 2.05 0.00 3.68 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 2.19 2.25 0.00 38 W 8.44 4.21 0.00 3.65 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 39 K 8.35 3.87 0.00 1.85 1.97 0.00 2.06 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.56 7.81 40 H 8.49 4.18 0.00 3.10 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.84 3.70 -0.51 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 0.00 0.00 42 A 7.95 4.54 1.15 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 43 K 7.34 4.05 0.00 2.21 1.88 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.63 7.81 44 H 8.91 4.31 0.00 3.14 3.43 0.00 5.89 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 45 G 8.02 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 46 W 8.19 4.58 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 47 D 8.20 4.31 0.00 2.63 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.51 2.67 1.55 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.85 0.00 0.00 49 N 7.46 4.71 0.00 2.98 2.77 0.00 0.00 6.89 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.86 4.47 0.00 1.59 1.68 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.48 7.81 51 D 7.73 4.48 0.00 2.39 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 52 A 6.93 3.89 1.51 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 0.00 0.00 53 C 6.48 4.43 0.00 2.91 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 54 L 7.93 4.05 0.00 1.83 1.48 1.31 0.18 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 55 F 8.27 4.14 0.00 3.12 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 56 R 9.39 3.20 0.00 1.87 1.91 0.00 3.21 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 57 S 7.91 3.97 0.00 4.21 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 58 W 9.17 4.38 0.00 3.69 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 59 A 7.79 3.93 1.06 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 0.00 0.00 60 I 7.79 4.19 1.80 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 1.35 1.17 0.94 0.00 0.00 61 H 8.91 4.05 0.00 3.00 3.20 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.69 3.69 3.82 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 -1.10 0.00 0.00 63 G 7.42 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 64 R 8.67 4.11 0.00 1.92 2.13 0.00 3.39 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 65 Y 7.63 5.40 0.00 3.34 2.65 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 66 K 7.42 4.31 0.00 1.60 1.39 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.23 7.81 67 A 8.07 3.54 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 68 G 8.74 3.81 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 69 E 7.51 4.45 0.00 1.94 2.17 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 2.29 2.24 0.00 70 K 8.54 4.33 0.00 1.84 1.89 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.46 7.81 71 E 7.76 4.47 0.00 2.30 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 2.92 2.63 0.00 72 P 0.00 4.18 0.00 2.01 2.19 0.00 3.66 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 1.76 1.88 0.00 73 D 6.17 3.80 0.00 2.63 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 74 P 0.00 3.90 0.00 2.42 1.89 0.00 3.59 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.86 0.00 75 K 7.72 3.98 0.00 1.72 1.82 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.29 7.81 76 T 8.23 3.87 4.47 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 1.35 0.00 0.00 77 W 8.27 4.74 0.00 3.62 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 78 K 8.37 2.73 0.00 2.06 2.19 0.00 1.33 0.00 0.00 1.96 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.35 7.81 79 A 8.32 4.05 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 80 N 8.26 4.23 0.00 3.25 3.20 0.00 0.00 6.58 8.13 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 81 F 8.58 3.72 0.00 2.99 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 82 R 10.10 4.33 0.00 2.31 2.06 0.00 3.39 0.00 0.00 3.48 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 83 C 8.34 3.80 0.00 3.29 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 84 A 8.15 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 M 7.50 3.68 0.00 1.89 2.23 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 1.78 0.00 86 N 8.57 4.21 0.00 2.89 2.64 0.00 0.00 7.07 6.91 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 87 S 8.11 3.46 0.00 3.84 3.71 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 88 L 7.30 3.69 0.00 1.57 1.52 0.87 1.07 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 89 P 0.00 4.65 0.00 2.15 2.13 0.00 3.72 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 1.88 1.89 0.00 90 D 7.86 4.90 0.00 2.81 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 91 I 7.68 5.13 2.00 0.00 0.00 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 1.54 0.53 1.37 0.00 0.00 92 E 9.37 4.40 0.00 2.01 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 0.00 2.21 2.20 0.00 93 E 8.58 4.18 0.00 1.84 1.71 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 2.23 2.44 0.00 94 V 8.46 3.72 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 0.63 0.00 0.00 0.87 0.00 0.00 95 K 8.46 4.04 0.00 1.68 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.35 7.81 96 D 7.64 4.69 0.00 2.60 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 97 Q 7.24 5.92 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.25 0.00 0.00 0.00 0.00 0.00 2.13 1.64 0.00 98 S 8.14 4.54 0.00 3.89 3.93 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 99 R 7.48 3.60 0.00 1.97 1.92 0.00 3.28 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 100 N 8.72 4.81 0.00 2.64 2.80 0.00 0.00 6.74 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 0.00 101 K 7.72 4.56 0.00 1.71 1.65 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.48 7.81 102 G 8.60 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 0.00 103 S 7.37 5.00 0.00 4.01 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 0.00 104 S 8.31 5.19 0.00 4.13 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 0.00 105 A 8.69 4.66 0.74 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 0.00 0.00 106 V 7.99 4.56 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 1.02 0.00 0.00 0.86 0.00 0.00 107 R 7.80 4.91 0.00 1.59 1.76 0.00 2.57 0.00 0.00 2.77 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 108 V 10.11 4.57 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 nan 0.00 0.00 0.92 0.00 0.00 109 Y 8.12 5.33 0.00 3.06 2.90 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 0.00 110 R 9.06 4.15 0.00 1.66 1.91 0.00 3.25 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 111 M 8.67 4.24 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00