NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3467 8.3044 120.3483 54.7164 32.9844 177.4732 2 E 4.3388 9.0817 123.9205 55.1632 32.6877 171.5323 3 L 5.1518 8.7802 126.8434 53.5340 45.3541 176.0189 4 T 4.6705 8.9442 116.1682 61.4938 70.8571 172.0550 5 T 5.1838 8.5608 112.8008 60.7351 70.9806 174.3645 6 R 4.7518 9.1239 126.5099 54.8624 34.1286 173.9999 7 T 5.0031 8.3799 121.0061 61.7128 70.3152 174.2254 8 L 4.3232 9.2122 128.6556 53.6243 42.6536 175.7817 9 P 4.6516 0.0000 0.0000 62.1846 32.2091 176.2756 10 A 4.0281 8.4900 121.9962 54.3488 18.3723 177.8622 11 R 4.2025 7.5846 116.6479 54.7165 29.2810 175.6013 12 K 4.3210 8.3642 124.8132 56.5973 33.9147 176.1697 13 H 5.2144 9.7665 121.8831 54.8857 30.0084 173.8511 14 I 5.0007 9.2219 125.4906 59.5886 39.3978 174.7726 15 A 5.2399 8.9251 128.8513 50.2598 21.3619 175.3538 16 L 5.0810 9.1210 122.9224 52.8895 44.6958 175.9483 17 V 4.6620 8.8788 123.2948 61.1811 35.0989 173.8442 18 A 5.4088 8.5994 128.0574 50.7893 22.4337 175.5221 19 H 4.7378 9.3022 118.5491 55.5036 30.2804 176.3583 20 D 4.4485 9.2020 121.8755 58.3162 40.6825 179.1192 21 H 4.4405 8.3557 112.1051 57.4678 28.9453 176.1072 22 C 4.8334 8.6623 116.9113 59.2093 29.0517 175.6633 23 K 4.1753 8.1784 124.0863 60.1709 31.5125 179.7761 24 Q 4.1051 8.0846 120.6214 60.2884 28.1333 180.8973 25 M 4.3487 8.1047 120.2781 58.2386 32.0334 178.3970 26 L 4.1219 8.2455 120.3044 58.5223 42.2406 178.6512 27 M 4.1111 8.4761 118.9409 58.7304 31.9182 178.8918 28 S 4.1600 8.4977 115.2801 61.5073 62.8556 176.4812 29 W 4.2474 8.3109 129.5602 60.6297 30.7173 177.8409 30 V 3.7261 8.6211 120.8438 66.6354 30.9054 178.4261 31 E 3.9664 8.3742 118.1746 61.3092 29.3711 180.9995 32 R 4.1902 7.9979 117.3764 57.8918 30.1746 177.1449 33 H 4.6462 7.3602 115.3252 54.9919 30.0479 175.2978 34 Q 3.8770 7.8628 123.1988 58.9935 28.4941 176.4411 35 P 4.1748 0.0000 0.0000 65.8578 31.5934 177.8884 36 L 4.1761 7.7596 118.1344 58.0843 41.9941 178.6526 37 L 4.2161 8.0661 117.8665 57.0782 41.5364 178.3757 38 E 4.0601 8.4965 119.5809 59.3166 29.7608 176.9586 39 Q 4.2491 7.7145 115.8470 55.6621 30.6021 173.3550 40 H 4.1967 8.3114 117.9901 55.6310 28.4273 174.3341 41 V 4.2952 8.3525 121.5523 61.4540 33.4143 174.4667 42 L 5.3751 8.2766 126.7808 53.3276 44.5422 174.9551 43 Y 5.2805 9.2789 119.7610 56.6587 42.5141 174.1047 44 A 5.1808 8.7779 120.8418 52.1556 23.6455 176.1133 45 T 3.9042 8.3350 110.2890 61.0157 70.5713 174.4655 46 G 3.7386 9.0788 106.9003 49.0891 0.0000 175.6527 47 T 3.8471 7.8132 115.4595 66.2018 69.0597 176.4036 48 T 3.9966 8.1190 117.0077 66.8307 68.5314 176.3692 49 G 3.6518 8.1578 107.0620 48.1575 0.0000 175.3963 50 N 4.3960 8.1170 119.5432 55.6904 38.6120 177.5672 51 L 3.9879 7.9688 120.4037 57.7965 41.7618 179.5493 52 I 3.6976 7.7176 119.6465 64.6187 37.2490 178.4486 53 S 4.2337 8.1355 113.8172 61.4437 61.9385 176.0907 54 R 3.9914 8.1728 120.3763 58.1736 29.9276 177.1889 55 A 4.6115 7.7319 118.3098 52.1055 20.1800 177.0656 56 T 4.3116 8.0462 105.4677 60.5448 70.6931 175.6356 57 G 3.9211 8.1118 108.9715 45.4692 0.0000 173.5502 58 M 4.2874 7.3478 119.0263 54.8068 32.6577 175.5359 59 N 4.6246 8.4018 118.4874 52.6988 39.4783 175.0961 60 V 4.4403 8.0014 122.3447 61.1409 34.8292 174.5426 61 N 4.6315 8.9620 126.0138 52.5797 38.9535 173.7715 62 A 4.9534 8.4206 126.1595 51.4737 20.5448 176.7261 63 M 4.5587 8.9410 122.8963 53.9706 35.4689 175.6749 64 L 4.3819 9.1993 119.5884 54.9849 43.3422 177.0067 65 S 4.4041 8.6439 115.0097 58.3516 63.4708 174.6999 66 G 3.9239 9.1688 112.2941 48.1297 0.0000 174.2335 67 P 4.3929 0.0000 0.0000 64.4462 31.4675 177.6089 68 M 4.4303 8.0434 114.9363 54.6813 32.7168 175.5072 69 G 3.6687 7.9875 108.3483 45.2401 0.0000 176.3865 70 G 3.6386 8.6370 108.7902 47.9283 0.0000 175.6235 71 D 4.2363 8.0003 120.6067 57.3786 40.8717 178.8243 72 Q 4.0533 7.9700 117.9033 58.7129 28.7648 178.5908 73 Q 3.9316 7.9630 119.4462 58.8210 28.6780 178.8146 74 V 3.5554 7.9710 119.5187 65.7801 31.5888 178.0305 75 G 3.6628 8.3399 105.7106 47.9105 0.0000 175.2883 76 A 3.9128 8.2426 123.7991 54.8486 18.3941 179.6809 77 L 3.7671 7.7804 117.3627 57.7974 41.4953 179.9619 78 I 3.4862 7.7947 120.1262 64.3522 36.9138 178.7157 79 S 2.7900 7.5605 113.1656 60.1814 62.6509 175.2029 80 E 4.0919 7.2230 120.4383 55.0654 29.3151 176.1713 81 G 3.7145 7.2495 106.6371 46.5446 0.0000 175.2013 82 K 4.1006 8.0804 119.4017 56.0604 32.8190 176.9046 83 I 4.3597 7.2946 119.3335 59.4601 39.6038 174.6801 84 D 4.8242 9.1125 124.5579 54.9529 42.6361 177.1120 85 V 4.7196 7.6277 117.0633 60.9298 35.6659 173.7355 86 L 5.0223 8.9541 128.6379 53.4567 44.9178 175.0455 87 I 4.6220 8.8918 128.5347 59.7968 39.0327 174.8305 88 F 5.4197 9.3588 131.0944 56.7118 41.7561 173.5825 89 F 5.4402 9.3255 127.4187 56.0772 38.1166 175.0149 90 W 4.4935 7.7354 119.5418 54.9585 29.8776 175.9875 91 D 4.3176 9.0118 122.1168 53.6375 40.7185 174.1190 92 P 4.4368 0.0000 0.0000 62.9968 31.7790 176.0767 93 L 4.7508 8.5432 117.9771 54.3760 42.5146 175.7496 94 N 4.8904 7.7869 114.2312 51.9406 42.4878 174.0544 95 A 4.4956 8.3781 124.6909 51.6459 19.8512 177.2549 96 V 4.6097 7.8953 112.9998 58.5526 35.4381 174.5060 97 P 4.4139 0.0000 0.0000 65.6144 31.6254 176.8819 98 N 4.8167 7.8821 116.8045 52.9775 38.4560 176.8424 99 D 4.3419 8.1134 122.3355 58.1157 41.5950 174.8896 100 P 4.2241 0.0000 0.0000 65.9424 31.2832 178.0837 101 D 4.3603 8.0743 118.2132 57.0032 40.7861 178.6869 102 V 3.7340 7.9057 118.5979 66.1687 31.5720 178.2220 103 K 3.8238 8.1804 118.0233 59.3716 31.8420 179.2238 104 A 3.9652 8.4457 121.4938 54.9695 18.2670 179.4884 105 L 3.8862 8.1298 118.9378 58.3912 42.2641 179.2932 106 L 4.1210 8.0700 118.9155 57.4620 41.3793 179.5151 107 R 3.8565 8.1118 119.0969 59.4801 30.0365 178.6290 108 L 4.0728 8.0307 118.6226 57.7312 41.4680 179.3573 109 A 4.1591 8.1617 120.8767 55.3496 18.4019 179.9506 110 T 3.8521 7.9266 114.2465 66.6835 68.3585 177.1313 111 V 3.3531 7.7389 119.5099 65.8699 31.4716 176.8805 112 W 4.2162 8.3919 116.2094 56.1565 29.2424 175.6476 113 N 4.1421 7.5667 116.3939 54.7858 37.1674 173.1419 114 I 4.6681 7.2392 110.0391 58.2631 41.0849 175.1392 115 P 4.4578 0.0000 0.0000 63.1234 32.2324 175.4973 116 V 5.0855 8.5025 123.3251 61.0371 34.6695 174.1533 117 A 4.9323 9.1760 129.1945 50.3701 21.5732 176.4159 118 T 5.4031 9.0402 110.5245 60.6087 69.9961 173.6399 119 N 4.2169 7.4037 119.3619 50.4344 41.5808 175.2081 120 V 3.3350 7.6318 119.3029 65.9328 31.5691 177.5909 121 A 4.1176 7.8448 119.9801 55.7136 18.2570 179.6469 122 T 3.8239 8.5526 114.3099 66.4641 68.4674 176.9495 123 A 3.9439 7.9090 122.6136 55.2554 18.3570 179.2554 124 D 4.6073 8.7973 117.8088 57.9010 40.7466 179.2596 125 F 4.0025 8.4225 116.8861 60.5564 39.0521 177.5789 126 I 4.0086 8.0756 119.5681 64.4422 36.7591 178.3206 127 I 2.5329 7.7499 118.1270 63.0296 37.8558 177.0750 128 Q 4.1776 7.7012 116.9378 55.6286 29.5034 176.1066 129 S 4.2607 7.3087 116.9380 57.2160 63.2166 172.4921 130 P 4.3039 0.0000 0.0000 66.6764 30.6619 177.2475 131 H 5.1047 8.0430 112.9208 54.9796 28.4911 176.3678 132 F 4.2822 8.1882 124.7474 60.6051 39.3212 175.8646 133 N 4.8479 8.3244 115.0720 52.9092 38.4397 173.4457 134 D 5.1286 7.5278 118.0590 51.9886 45.1084 174.6836 135 A 4.6197 8.3643 121.7772 51.8477 19.4412 177.3174 136 V 4.4496 8.6014 121.6167 61.1850 35.3286 174.0121 137 D 5.2797 8.8349 127.4695 53.7305 41.8868 175.7080 138 I 4.6981 9.0534 116.1305 58.9144 41.1968 174.3955 139 L 4.8750 8.5229 124.3074 54.4032 42.3835 176.2109 140 I 4.8516 8.4856 117.1381 57.9491 41.3109 173.2227 141 P 4.5857 0.0000 0.0000 62.9379 32.3903 176.5864 142 D 4.6716 9.0011 122.0610 53.4213 41.1118 176.3855 143 Y 4.2914 8.8134 131.2851 61.2479 38.9040 178.2101 144 Q 4.0224 8.5221 123.5921 61.0729 28.2860 181.5513 145 R 4.1698 7.8538 121.7057 61.1894 29.1612 180.1145 146 Y 4.1306 7.7264 119.2780 60.5535 39.0475 177.6953 147 L 3.7430 8.3163 121.3506 57.8469 42.0476 178.5635 148 A 3.9229 8.2203 121.2052 55.2927 18.1247 178.8540 149 D 4.4891 7.7706 114.7302 55.9870 40.9848 178.0287 150 R 4.1898 7.7455 118.4929 56.8488 30.6983 176.9480 151 L 4.5059 7.0634 117.5316 54.7425 41.9746 177.2715 152 K 4.0193 8.0843 126.1608 55.2055 31.4684 180.0763 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 4.35 0.00 1.99 1.71 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 E 9.08 4.34 0.00 2.19 1.79 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 2.30 2.49 0.00 3 L 8.78 5.15 0.00 1.54 1.53 0.91 0.84 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 4 T 8.94 4.67 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 1.33 0.00 0.00 5 T 8.56 5.18 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 1.23 0.00 0.00 6 R 9.12 4.75 0.00 1.93 1.75 0.00 3.08 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 7 T 8.38 5.00 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 1.26 0.00 0.00 8 L 9.21 4.32 0.00 1.61 1.57 0.94 1.04 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 9 P 0.00 4.65 0.00 2.18 2.06 0.00 3.88 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 2.10 2.02 0.00 10 A 8.49 4.03 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 11 R 7.58 4.20 0.00 1.72 1.83 0.00 3.20 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 12 K 8.36 4.32 0.00 1.53 1.59 0.00 1.57 0.00 0.00 1.89 0.00 0.00 2.55 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.17 0.64 7.81 13 H 9.77 5.21 0.00 3.20 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.22 5.00 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 1.06 0.00 0.00 15 A 8.93 5.24 1.18 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 0.00 0.00 16 L 9.12 5.08 0.00 1.56 1.55 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.88 4.66 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 0.74 0.00 0.00 0.73 0.00 0.00 18 A 8.60 5.41 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 19 H 9.30 4.74 0.00 3.32 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.20 4.45 0.00 2.83 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 21 H 8.36 4.44 0.00 3.33 3.38 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.66 4.83 0.00 3.23 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 23 K 8.18 4.18 0.00 2.01 1.92 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.75 7.81 24 Q 8.08 4.11 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 25 M 8.10 4.35 0.00 2.10 2.43 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 26 L 8.25 4.12 0.00 1.83 1.88 0.16 0.89 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 27 M 8.48 4.11 0.00 2.10 2.37 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.02 0.00 28 S 8.50 4.16 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.31 4.25 0.00 3.57 3.62 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 30 V 8.62 3.73 2.33 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 0.96 0.00 0.00 1.18 0.00 0.00 31 E 8.37 3.97 0.00 2.01 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 2.25 2.23 0.00 32 R 8.00 4.19 0.00 1.66 1.66 0.00 3.06 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 33 H 7.36 4.65 0.00 2.42 2.77 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.86 3.88 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 35 P 0.00 4.17 0.00 2.01 2.10 0.00 3.56 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 36 L 7.76 4.18 0.00 1.75 1.74 1.18 0.56 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 37 L 8.07 4.22 0.00 1.63 1.76 0.81 1.21 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 38 E 8.50 4.06 0.00 2.11 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 2.32 2.41 0.00 39 Q 7.71 4.25 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 5.68 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 40 H 8.31 4.20 0.00 3.39 3.52 0.00 5.68 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 41 V 8.35 4.30 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 0.61 0.00 0.00 0.85 0.00 0.00 42 L 8.28 5.38 0.00 1.57 1.56 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.28 5.28 0.00 2.81 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 44 A 8.78 5.18 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 45 T 8.34 3.90 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 1.14 0.00 0.00 46 G 9.08 3.74 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 0.00 47 T 7.81 3.85 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 1.24 0.00 0.00 48 T 8.12 4.00 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 1.24 0.00 0.00 49 G 8.16 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 50 N 8.12 4.40 0.00 2.78 2.89 0.00 0.00 7.12 6.76 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 51 L 7.97 3.99 0.00 1.89 1.74 0.95 0.85 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 52 I 7.72 3.70 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.05 0.94 0.00 0.00 53 S 8.14 4.23 0.00 4.00 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 54 R 8.17 3.99 0.00 1.98 2.10 0.00 3.29 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 55 A 7.73 4.61 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.05 4.31 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 1.25 0.00 0.00 57 G 8.11 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 58 M 7.35 4.29 0.00 1.96 2.01 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 2.63 2.68 0.00 59 N 8.40 4.62 0.00 2.66 2.70 0.00 0.00 6.63 7.68 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 60 V 8.00 4.44 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 0.86 0.00 0.00 0.97 0.00 0.00 61 N 8.96 4.63 0.00 2.35 2.70 0.00 0.00 6.45 8.35 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 62 A 8.42 4.95 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 63 M 8.94 4.56 0.00 2.16 2.03 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 2.56 2.83 0.00 64 L 9.20 4.38 0.00 1.70 1.60 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.64 4.40 0.00 3.92 3.74 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 66 G 9.17 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 67 P 0.00 4.39 0.00 2.05 2.15 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 68 M 8.04 4.43 0.00 1.98 2.20 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 2.56 2.54 0.00 69 G 7.99 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.64 3.64 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 0.00 0.00 0.00 71 D 8.00 4.24 0.00 2.70 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 72 Q 7.97 4.05 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 73 Q 7.96 3.93 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 74 V 7.97 3.56 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 0.96 0.00 0.00 0.91 0.00 0.00 75 G 8.34 3.66 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 0.00 0.00 0.00 76 A 8.24 3.91 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 77 L 7.78 3.77 0.00 1.68 1.45 0.72 0.62 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 78 I 7.79 3.49 1.94 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 1.49 0.72 0.90 0.00 0.00 79 S 7.56 2.79 0.00 3.78 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 80 E 7.22 4.09 0.00 1.93 1.79 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 2.09 2.13 0.00 81 G 7.25 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 0.00 0.00 0.00 82 K 8.08 4.10 0.00 1.58 1.60 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.36 7.81 83 I 7.29 4.36 1.71 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.83 0.00 0.00 84 D 9.11 4.82 0.00 2.49 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 85 V 7.63 4.72 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 1.23 0.00 0.00 0.99 0.00 0.00 86 L 8.95 5.02 0.00 1.79 1.53 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.89 4.62 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.82 0.16 0.00 0.00 88 F 9.36 5.42 0.00 2.98 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 89 F 9.33 5.44 0.00 2.98 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 90 W 7.74 4.49 0.00 3.07 1.77 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 91 D 9.01 4.32 0.00 2.78 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 92 P 0.00 4.44 0.00 1.85 1.09 0.00 3.47 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 93 L 8.54 4.75 0.00 1.59 1.61 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.79 4.89 0.00 2.80 2.63 0.00 0.00 7.01 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 95 A 8.38 4.50 1.25 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 0.00 0.00 96 V 7.90 4.61 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 0.74 0.00 0.00 1.00 0.00 0.00 97 P 0.00 4.41 0.00 2.19 2.19 0.00 3.76 0.00 0.00 3.72 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 98 N 7.88 4.82 0.00 2.97 3.09 0.00 0.00 5.90 8.07 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 99 D 8.11 4.34 0.00 2.96 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 0.00 100 P 0.00 4.22 0.00 2.30 2.28 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 101 D 8.07 4.36 0.00 2.98 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 0.00 102 V 7.91 3.73 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 0.85 0.00 0.00 1.28 0.00 0.00 103 K 8.18 3.82 0.00 1.74 1.77 0.00 1.57 0.00 0.00 1.35 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.55 1.51 7.81 104 A 8.45 3.97 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 0.00 105 L 8.13 3.89 0.00 1.82 1.89 0.84 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.07 4.12 0.00 1.82 1.68 0.50 0.82 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 0.00 107 R 8.11 3.86 0.00 1.98 2.08 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 108 L 8.03 4.07 0.00 1.95 1.85 0.96 1.25 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 0.00 109 A 8.16 4.16 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 0.00 110 T 7.93 3.85 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 1.19 0.00 0.00 111 V 7.74 3.35 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 -0.03 0.00 0.00 0.86 0.00 0.00 112 W 8.39 4.22 0.00 3.42 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 0.00 113 N 7.57 4.14 0.00 2.80 2.92 0.00 0.00 6.96 7.22 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 0.00 114 I 7.24 4.67 2.14 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 1.44 0.88 1.01 0.00 0.00 115 P 0.00 4.46 0.00 2.21 2.14 0.00 3.89 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 2.19 2.16 0.00 116 V 8.50 5.09 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 0.96 0.00 0.00 1.08 0.00 0.00 117 A 9.18 4.93 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 0.00 118 T 9.04 5.40 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 1.46 0.00 0.00 119 N 7.40 4.22 0.00 2.63 2.58 0.00 0.00 5.83 7.68 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 0.00 120 V 7.63 3.33 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 1.09 0.00 0.00 0.73 0.00 0.00 121 A 7.84 4.12 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 0.00 122 T 8.55 3.82 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 1.26 0.00 0.00 123 A 7.91 3.94 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 0.00 124 D 8.80 4.61 0.00 3.06 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 0.00 125 F 8.42 4.00 0.00 3.10 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 0.00 126 I 8.08 4.01 2.09 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 1.53 1.18 1.15 0.00 0.00 127 I 7.75 2.53 1.79 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.31 0.90 0.00 0.00 128 Q 7.70 4.18 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 129 S 7.31 4.26 0.00 4.13 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 0.00 130 P 0.00 4.30 0.00 2.25 2.22 0.00 3.83 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 1.93 1.99 0.00 131 H 8.04 5.10 0.00 3.21 3.38 0.00 5.77 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.19 4.28 0.00 3.25 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 0.00 133 N 8.32 4.85 0.00 2.84 2.87 0.00 0.00 6.71 8.06 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 0.00 134 D 7.53 5.13 0.00 2.52 2.49 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 0.00 0.00 0.00 0.00 135 A 8.36 4.62 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 0.00 136 V 8.60 4.45 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 1.02 0.00 0.00 1.02 0.00 0.00 137 D 8.83 5.28 0.00 2.62 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 0.00 138 I 9.05 4.70 1.92 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 1.02 0.95 0.00 0.00 139 L 8.52 4.87 0.00 1.57 1.66 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.49 4.85 2.12 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 1.38 0.99 1.06 0.00 0.00 141 P 0.00 4.59 0.00 1.83 1.84 0.00 3.41 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.17 0.00 142 D 9.00 4.67 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.81 4.29 0.00 3.33 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 0.00 144 Q 8.52 4.02 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 145 R 7.85 4.17 0.00 1.86 1.97 0.00 3.24 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 146 Y 7.73 4.13 0.00 2.95 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 0.00 147 L 8.32 3.74 0.00 1.11 1.46 0.87 1.22 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 0.00 148 A 8.22 3.92 1.33 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 0.00 0.00 149 D 7.77 4.49 0.00 2.65 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 0.00 150 R 7.75 4.19 0.00 1.72 1.80 0.00 3.05 0.00 0.00 2.74 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.13 0.00 151 L 7.06 4.51 0.00 1.62 1.62 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.08 4.02 0.00 1.77 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.03 7.81