NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.1914 8.3044 120.3471 55.4959 33.6418 173.6411 5 Q 2.7895 8.9915 118.2758 56.8033 28.7520 171.6807 6 M 3.2526 9.5194 128.5789 55.6294 30.5747 178.8798 7 K 4.4658 7.5488 116.4879 55.8806 34.2890 175.8471 8 G 3.8983 8.5205 112.1954 43.0977 0.0000 170.1337 9 K 4.6343 7.9254 132.3150 56.6654 30.0508 175.8896 10 G 4.1069 7.2427 107.5277 43.3130 0.0000 173.0246 11 K 4.3821 8.1265 119.5997 56.4211 34.8803 174.2898 12 G 3.7931 8.3970 113.1118 44.8135 0.0000 172.7735 13 I 4.3624 8.0847 123.1098 59.3351 39.1766 175.3817 14 S 4.3584 8.4178 122.0089 57.5175 63.5223 172.3676 15 G 4.0458 8.9185 107.4318 43.7138 0.0000 169.9479 16 S 4.0026 7.8233 109.7504 56.8865 62.6042 172.9149 17 A 4.4836 7.9060 131.7067 49.5590 20.0711 175.3187 18 L 3.8181 8.5931 121.5218 55.2845 42.0805 176.4048 19 P 4.3965 0.0000 0.0000 62.4179 31.1162 175.0032 20 F 3.5113 8.4391 119.3153 61.0524 39.4519 174.3007 21 K 4.0998 8.4481 126.5076 56.6049 31.7746 177.7281 22 R 3.7204 8.5205 123.4662 57.6401 30.2031 177.4762 23 R 4.2650 7.0983 114.7377 54.9033 31.0164 176.1145 24 S 4.4596 8.1747 113.7854 56.9169 63.6531 172.5580 25 P 4.0588 0.0000 0.0000 62.5015 30.7232 175.5055 26 K 3.7821 7.6595 118.4847 57.4346 32.4403 179.8963 27 W 4.3813 7.3885 121.7768 58.8977 29.5942 176.4428 28 L 4.4818 6.9960 121.0235 53.8498 42.5057 175.2591 29 H 4.7961 8.1817 121.4906 54.7192 31.4001 173.3898 30 M 4.3449 8.6268 118.8835 54.5792 33.9813 174.1390 31 T 3.8837 8.2091 120.3765 63.1662 69.7589 173.3533 32 P 4.1932 0.0000 0.0000 66.3332 31.2470 178.3230 33 S 4.0994 8.2630 114.1427 61.4917 61.9583 176.3190 34 T 3.8480 8.0359 119.3306 66.4285 68.1826 176.6210 35 V 3.5762 7.6961 119.1956 66.1563 31.7835 177.8148 36 V 4.0204 7.6969 119.2678 65.4523 30.9566 177.8360 37 D 4.2929 8.0436 118.2403 57.2395 40.7164 178.2620 38 L 4.1881 7.5258 118.8978 58.0000 41.6991 179.5410 39 S 4.2755 8.7069 114.2712 61.9966 62.7560 176.9233 40 V 3.6202 7.9335 122.5706 64.8169 31.0926 178.0882 41 K 3.9003 8.9921 119.6022 59.4608 31.7507 178.9329 42 L 3.9593 8.4353 118.5843 57.9708 41.8340 179.2843 43 A 4.1170 8.4220 120.7017 55.1900 18.1179 179.5117 44 K 3.7218 8.2017 116.0023 59.8626 32.3014 179.2831 45 K 3.9961 7.5388 116.8917 57.4937 33.2077 177.2547 46 G 4.1434 8.7452 108.9265 46.5068 0.0000 172.9518 47 L 4.8338 7.1109 116.3272 52.7267 45.8165 177.6868 48 T 4.2596 8.4188 118.1672 62.3276 70.6265 174.7239 49 P 3.8830 0.0000 0.0000 66.0603 30.9057 179.0565 50 S 4.1467 8.0706 114.5323 61.7621 62.9453 176.4509 51 Q 4.1432 7.9371 120.0768 58.5997 28.6505 178.2506 52 I 3.7935 8.6857 122.0106 64.5719 37.2306 178.5532 53 G 3.7299 7.9524 105.8297 47.9052 0.0000 175.7707 54 V 3.6291 7.2702 120.3438 65.7619 31.4233 178.2232 55 I 3.6492 7.5305 119.0130 64.4195 37.0905 178.2715 56 L 3.9026 7.9404 118.9080 56.5990 41.1789 178.6821 57 R 4.2251 7.0641 117.0850 58.1540 31.2088 177.3736 58 D 4.4802 8.0645 117.4740 57.7601 41.0299 177.1204 59 Q 4.0028 8.8605 118.6858 57.4305 28.8755 176.8460 60 H 4.5973 8.3800 121.6756 55.8644 28.5298 177.5114 61 G 3.9412 6.5112 117.4750 47.1570 0.0000 174.3074 62 I 4.3329 8.3342 119.4458 58.6757 37.3241 172.5406 63 P 4.2020 0.0000 0.0000 62.9755 31.1126 173.9339 64 Q 3.4378 8.6523 129.4310 55.7242 26.3906 173.5172 65 V 3.6295 8.0639 123.9062 65.5781 31.6424 177.2100 66 R 4.6497 7.9293 119.3910 59.1485 29.7926 178.4133 67 F 4.1207 8.0739 116.3641 59.9957 38.8888 176.8867 68 L 4.7978 7.6637 119.9853 57.0452 42.3718 178.3025 69 T 4.2004 8.0581 114.8892 65.9205 68.7467 176.5362 70 G 4.0354 8.8440 106.8055 45.2723 0.0000 172.9220 71 Q 4.5254 7.7444 117.0288 53.6860 32.8399 174.3503 72 K 4.5369 8.6572 121.7209 55.8333 33.1161 177.4047 73 I 3.5144 8.1138 124.1144 64.7764 37.1023 177.5340 74 L 3.9467 8.0602 120.1822 58.6382 41.7375 179.6485 75 R 3.8609 8.2111 117.6118 59.2931 29.8488 178.6748 76 I 3.6798 7.7674 117.5596 64.6318 37.5483 177.6900 77 L 4.1123 8.2562 119.7108 57.9525 41.4066 179.6763 78 K 3.9351 8.4542 119.6392 59.4885 31.8696 178.9427 79 K 4.0167 8.3113 118.2760 58.5883 32.1600 177.6601 80 N 4.9130 8.0407 116.0535 53.0338 39.7507 178.1766 81 G 3.9169 7.7306 109.8766 47.1414 0.0000 174.7951 82 C 4.2700 8.3603 121.3234 58.3602 30.4543 173.4692 83 A 4.4807 7.3763 122.7849 50.1670 20.5616 177.2446 84 P 4.2273 0.0000 0.0000 67.2320 28.9944 179.9695 85 Q 2.5200 6.5848 115.5420 55.4551 32.7372 173.9519 86 L 4.2490 7.5824 122.0408 52.4180 44.1327 174.6593 87 P 4.2480 0.0000 0.0000 63.1655 31.7134 176.4206 88 E 3.9023 9.3279 120.3347 61.2270 29.3665 179.5889 89 D 4.0223 8.2210 111.8743 56.6278 41.3042 178.7037 90 L 4.0146 8.7621 122.6496 59.2730 42.6017 177.8462 91 Y 3.9354 7.8960 117.3337 61.2102 38.8547 178.1099 92 F 4.4062 8.7374 118.1224 60.6403 39.1804 177.3793 93 L 3.9698 7.7676 118.3440 58.3825 41.4662 179.8952 94 I 3.3327 7.7830 119.2250 64.1723 36.8894 178.0848 95 K 3.7421 7.8717 120.8764 59.3495 32.0144 178.8941 96 K 3.9784 7.9645 118.1316 59.9585 32.5281 178.3766 97 A 4.0108 8.5961 122.3889 55.0042 18.1194 179.5096 98 L 4.0000 8.0556 118.4686 58.5844 42.3347 178.9697 99 S 4.1467 8.3782 115.5150 61.9975 62.7695 176.8814 100 I 3.7067 8.2581 122.4184 64.5695 36.9854 178.2829 101 R 3.9442 7.6200 117.2025 59.5211 29.7309 179.1754 102 K 3.9380 8.0513 117.7761 59.8146 31.8840 178.8115 103 H 4.2435 8.0448 116.9520 59.3398 30.1543 176.7416 104 L 3.9986 8.5243 121.0238 57.8086 41.1825 179.0010 105 E 3.9127 7.8284 117.2093 59.7774 29.5114 178.8465 106 K 4.2321 7.5003 116.0657 58.1232 32.5578 177.1093 107 N 5.0229 7.6700 117.3282 52.0533 39.2119 176.0014 108 R 3.9088 8.1883 118.1007 58.1413 30.6411 175.8100 109 K 4.2969 7.6078 115.8053 57.5657 33.6429 175.5792 110 D 4.5191 8.4623 118.5833 54.6514 40.2106 176.4916 111 K 4.0270 8.3678 126.2786 59.1428 32.3953 178.1770 112 D 4.4485 8.2646 117.8523 57.6679 40.9713 178.4963 113 S 4.2627 8.4013 115.3023 61.0532 62.8398 176.5888 114 K 3.9416 7.7373 121.1786 59.6542 31.7306 178.3265 115 Y 4.2355 8.0555 119.5177 61.0626 38.7231 178.3320 116 R 3.7106 8.1987 118.6799 59.2681 30.2284 178.7355 117 L 3.9439 8.1028 119.9105 58.3162 42.0190 178.8237 118 I 3.7638 7.6753 119.6445 64.5679 37.0143 178.4208 119 L 3.8591 7.4871 119.4191 57.7855 41.3942 179.6720 120 V 3.5942 7.7317 118.1745 66.0426 31.3067 177.9184 121 E 4.1381 8.7980 118.7765 59.0029 29.0639 179.1909 122 S 4.1767 7.6060 112.4854 61.3603 62.7872 176.0082 123 R 4.0666 7.9986 120.6737 59.5739 29.8839 178.9609 124 I 3.8246 7.5099 119.1595 64.9596 37.0584 178.0899 125 H 4.4588 8.0989 116.6483 58.3940 28.2837 177.9180 126 R 4.0954 8.4500 120.7573 58.7491 29.8277 178.9369 127 L 3.9748 7.8453 118.4920 57.7753 41.7928 179.1038 128 S 4.4556 8.2142 115.1498 61.9763 62.6362 176.8591 129 R 4.0076 7.6770 118.6084 60.1055 30.1906 178.0060 130 Y 4.1651 7.8232 119.0689 60.6850 38.8448 177.2336 131 Y 4.3824 9.2635 118.5336 61.1359 38.1209 179.2881 132 K 4.3836 8.3850 121.0298 58.6621 32.0771 179.1899 133 L 4.1939 7.8940 117.8243 56.4876 41.5183 177.9046 134 N 4.7385 7.6294 115.3321 53.3783 40.3149 174.6853 135 Q 3.3394 7.3581 116.1961 57.5738 26.9029 174.9151 136 K 4.5029 8.0843 113.5126 54.6456 33.3541 176.6344 137 L 4.8327 7.8504 126.2912 53.9016 44.7885 170.7068 138 P 4.1754 0.0000 0.0000 62.7755 31.3879 175.0868 139 P 4.3179 0.0000 0.0000 65.6909 31.3580 177.3952 140 K 4.3543 8.0384 113.4166 56.8778 32.4471 176.6449 141 W 4.7311 8.1479 130.1558 57.9545 31.0870 176.0168 142 K 3.9017 7.1638 123.7710 55.6109 34.7633 174.6300 143 Y 4.1647 8.0039 126.4878 56.2336 39.2030 173.7356 144 N 4.2665 8.2701 122.2456 52.8277 39.7260 174.6259 145 A 4.6322 7.0659 129.5416 51.4569 20.7139 178.0456 146 Q 4.3988 9.0275 117.4573 58.1085 28.6401 178.6397 147 T 3.9838 7.8819 115.6961 66.1370 68.6153 176.3705 148 A 4.2768 8.0002 122.6278 55.2982 18.6355 179.7635 149 S 4.1397 8.1928 112.2432 61.0974 62.5510 176.4261 150 A 4.0472 8.0999 125.0805 55.1794 17.9223 179.4421 151 L 3.8215 7.6828 116.3019 57.3757 41.8113 179.4269 152 V 3.7636 7.2853 117.8753 65.7093 31.4806 175.7034 153 Q 4.1837 7.5275 121.2809 56.0883 28.6007 175.6130 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 4 M 8.30 4.19 0.00 2.11 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 2.55 2.47 0.00 5 Q 8.99 2.79 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 6 M 9.52 3.25 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 7 K 7.55 4.47 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.45 7.81 8 G 8.52 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 0.00 0.00 0.00 9 K 7.93 4.63 0.00 1.87 2.03 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.23 1.17 7.81 10 G 7.24 4.11 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 0.00 11 K 8.13 4.38 0.00 1.84 1.77 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.15 1.23 7.81 12 G 8.40 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 13 I 8.08 4.36 1.87 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 1.30 0.58 0.91 0.00 0.00 14 S 8.42 4.36 0.00 3.81 3.80 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 0.00 0.00 0.00 15 G 8.92 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 16 S 7.82 4.00 0.00 3.91 4.03 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 17 A 7.91 4.48 1.22 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 0.00 0.00 0.00 18 L 8.59 3.82 0.00 1.59 1.44 0.89 1.04 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 19 P 0.00 4.40 0.00 2.23 2.09 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 20 F 8.44 3.51 0.00 3.10 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 21 K 8.45 4.10 0.00 1.98 1.93 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.69 7.81 22 R 8.52 3.72 0.00 1.60 1.46 0.00 3.04 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 23 R 7.10 4.26 0.00 1.74 1.92 0.00 3.02 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 24 S 8.17 4.46 0.00 3.84 3.73 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 25 P 0.00 4.06 0.00 0.49 1.20 0.00 3.60 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 0.00 26 K 7.66 3.78 0.00 1.81 1.72 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.34 7.81 27 W 7.39 4.38 0.00 3.35 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 28 L 7.00 4.48 0.00 1.63 1.30 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.18 4.80 0.00 3.16 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.63 4.34 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 31 T 8.21 3.88 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 32 P 0.00 4.19 0.00 2.26 2.33 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 2.08 2.07 0.00 33 S 8.26 4.10 0.00 4.06 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 34 T 8.04 3.85 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 1.22 0.00 0.00 35 V 7.70 3.58 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 1.06 0.00 0.00 0.95 0.00 0.00 36 V 7.70 4.02 2.23 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 0.84 0.00 0.00 0.98 0.00 0.00 37 D 8.04 4.29 0.00 2.98 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 38 L 7.53 4.19 0.00 1.92 1.76 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.71 4.28 0.00 4.01 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 40 V 7.93 3.62 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 0.95 0.00 0.00 0.98 0.00 0.00 41 K 8.99 3.90 0.00 1.96 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.61 7.81 42 L 8.44 3.96 0.00 1.80 1.76 0.96 0.05 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 43 A 8.42 4.12 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 44 K 8.20 3.72 0.00 1.87 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.72 7.81 45 K 7.54 4.00 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.47 7.81 46 G 8.75 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.11 4.83 0.00 1.59 1.54 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.42 4.26 4.41 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 0.00 0.00 0.00 1.30 0.00 0.00 49 P 0.00 3.88 0.00 2.27 2.32 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 50 S 8.07 4.15 0.00 3.99 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 51 Q 7.94 4.14 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 52 I 8.69 3.79 1.88 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 1.46 0.85 0.92 0.00 0.00 53 G 7.95 3.73 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 0.00 0.00 0.00 54 V 7.27 3.63 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 1.13 0.00 0.00 0.97 0.00 0.00 55 I 7.53 3.65 2.06 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 1.50 0.75 0.85 0.00 0.00 56 L 7.94 3.90 0.00 1.86 1.76 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.06 4.23 0.00 1.92 2.07 0.00 3.42 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 58 D 8.06 4.48 0.00 2.72 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 59 Q 8.86 4.00 0.00 1.62 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.30 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 60 H 8.38 4.60 0.00 3.19 3.27 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 61 G 6.51 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 62 I 8.33 4.33 2.10 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 1.42 1.11 0.95 0.00 0.00 63 P 0.00 4.20 0.00 2.16 2.17 0.00 3.96 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 1.98 2.08 0.00 64 Q 8.65 3.44 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.92 0.00 0.00 0.00 0.00 0.00 1.55 2.34 0.00 65 V 8.06 3.63 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 1.09 0.00 0.00 0.95 0.00 0.00 66 R 7.93 4.65 0.00 1.99 2.05 0.00 3.34 0.00 0.00 3.41 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 67 F 8.07 4.12 0.00 3.07 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 68 L 7.66 4.80 0.00 1.67 1.85 0.93 1.11 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 69 T 8.06 4.20 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 1.22 0.00 0.00 70 G 8.84 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 71 Q 7.74 4.53 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 72 K 8.66 4.54 0.00 1.84 1.74 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 73 I 8.11 3.51 1.89 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 1.54 0.61 0.92 0.00 0.00 74 L 8.06 3.95 0.00 1.68 1.71 0.90 0.91 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 75 R 8.21 3.86 0.00 2.14 1.96 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 76 I 7.77 3.68 2.06 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 1.64 0.61 0.91 0.00 0.00 77 L 8.26 4.11 0.00 1.80 1.94 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.45 3.94 0.00 1.85 1.79 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 79 K 8.31 4.02 0.00 1.92 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.63 7.81 80 N 8.04 4.91 0.00 2.75 2.79 0.00 0.00 6.79 7.32 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 81 G 7.73 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 0.00 0.00 0.00 82 C 8.36 4.27 0.00 2.88 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 83 A 7.38 4.48 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 84 P 0.00 4.23 0.00 1.94 1.90 0.00 3.61 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 1.96 1.99 0.00 85 Q 6.58 2.52 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 86 L 7.58 4.25 0.00 1.45 1.50 0.66 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.25 0.00 2.24 1.89 0.00 3.49 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.86 0.00 88 E 9.33 3.90 0.00 2.30 2.41 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 0.00 2.52 2.52 0.00 89 D 8.22 4.02 0.00 3.12 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 90 L 8.76 4.01 0.00 2.05 1.79 1.11 1.05 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 91 Y 7.90 3.94 0.00 2.91 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 92 F 8.74 4.41 0.00 3.20 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 93 L 7.77 3.97 0.00 1.81 1.69 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.78 3.33 1.78 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 0.93 0.70 0.66 0.00 0.00 95 K 7.87 3.74 0.00 1.41 1.97 0.00 1.78 0.00 0.00 1.93 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.40 7.81 96 K 7.96 3.98 0.00 2.02 2.07 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.55 7.81 97 A 8.60 4.01 1.30 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 0.00 0.00 98 L 8.06 4.00 0.00 2.03 1.67 1.04 1.00 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 99 S 8.38 4.15 0.00 4.00 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 0.00 100 I 8.26 3.71 2.11 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 1.54 0.49 0.95 0.00 0.00 101 R 7.62 3.94 0.00 2.11 2.03 0.00 3.18 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 102 K 8.05 3.94 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 103 H 8.04 4.24 0.00 3.13 3.62 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.52 4.00 0.00 1.85 1.70 0.95 0.89 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 0.00 105 E 7.83 3.91 0.00 2.18 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 0.00 2.35 2.45 0.00 106 K 7.50 4.23 0.00 1.73 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.41 7.81 107 N 7.67 5.02 0.00 2.62 2.68 0.00 0.00 6.45 7.35 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 0.00 108 R 8.19 3.91 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 109 K 7.61 4.30 0.00 1.72 1.78 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 110 D 8.46 4.52 0.00 2.73 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 0.00 111 K 8.37 4.03 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.58 7.81 112 D 8.26 4.45 0.00 2.73 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 0.00 113 S 8.40 4.26 0.00 4.24 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 0.00 114 K 7.74 3.94 0.00 2.02 1.92 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.67 7.81 115 Y 8.06 4.24 0.00 3.00 3.25 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 0.00 116 R 8.20 3.71 0.00 2.02 1.96 0.00 3.35 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.84 0.00 117 L 8.10 3.94 0.00 1.73 1.86 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.68 3.76 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.90 0.00 0.00 119 L 7.49 3.86 0.00 1.59 1.57 0.67 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.73 3.59 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 1.00 0.00 0.00 0.91 0.00 0.00 121 E 8.80 4.14 0.00 2.08 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 0.00 2.52 2.60 0.00 122 S 7.61 4.18 0.00 4.06 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 0.00 123 R 8.00 4.07 0.00 2.05 1.95 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 124 I 7.51 3.82 1.95 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.75 0.00 0.00 125 H 8.10 4.46 0.00 3.36 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.45 4.10 0.00 2.05 1.96 0.00 3.12 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 127 L 7.85 3.97 0.00 1.74 1.89 0.54 0.91 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 0.00 128 S 8.21 4.46 0.00 4.18 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 0.00 129 R 7.68 4.01 0.00 2.05 2.09 0.00 3.37 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 130 Y 7.82 4.17 0.00 2.95 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 0.00 131 Y 9.26 4.38 0.00 3.24 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 0.00 132 K 8.39 4.38 0.00 1.93 1.92 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.30 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.63 1.74 7.81 133 L 7.89 4.19 0.00 1.67 1.70 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.63 4.74 0.00 2.47 2.69 0.00 0.00 7.19 7.69 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 0.00 135 Q 7.36 3.34 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 144 N 8.27 4.27 0.00 2.58 2.62 0.00 0.00 6.13 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 0.00 145 A 7.07 4.63 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 0.00 146 Q 9.03 4.40 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 147 T 7.88 3.98 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 1.20 0.00 0.00 148 A 8.00 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.19 4.14 0.00 4.11 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 0.00 150 A 8.10 4.05 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 0.00 151 L 7.68 3.82 0.00 1.78 1.83 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.29 3.76 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 0.85 0.00 0.00 1.02 0.00 0.00 153 Q 7.53 4.18 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.32 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00