NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2383 8.3144 121.7841 55.8686 33.9353 177.2496 6 C 4.6224 7.5740 118.6672 53.4269 44.2054 172.4746 7 L 3.9354 8.4950 126.1223 57.0916 42.3170 177.9003 8 L 3.9874 7.9062 119.9777 58.2843 41.9603 179.6338 9 C 4.2643 8.0777 115.9194 60.0738 40.0549 176.0350 10 R 3.8551 7.8719 119.3369 59.3468 29.6654 178.3088 11 Y 3.9050 8.3290 119.4417 60.9243 38.4223 178.3406 12 L 4.0643 8.3668 119.8584 57.5675 41.4694 179.4634 13 K 3.8936 8.1185 119.1172 59.5716 32.2325 178.2325 14 E 4.0692 8.0495 118.3778 58.4624 29.8047 177.9107 15 R 4.4079 7.5954 116.0492 55.8539 30.3357 177.7697 16 Q 4.0067 7.5981 120.3773 59.4651 28.7777 179.2634 17 E 4.0250 8.1529 118.5268 59.3535 29.5989 179.2359 18 K 3.9941 8.0444 119.1555 59.3524 32.3082 178.3046 19 F 4.0489 8.7881 121.3684 61.5531 39.2527 177.2374 20 I 4.0014 8.2221 119.3903 64.4160 36.6803 178.3484 21 S 4.1708 8.1179 113.0842 61.5837 62.4025 175.7001 22 D 4.4716 8.2881 121.5784 57.0420 40.4908 178.5376 23 W 4.0260 8.2878 128.9926 60.3474 30.4848 177.6865 24 K 3.3745 8.3635 118.8072 59.5475 31.5889 178.3519 25 K 4.0960 7.6953 116.9624 57.8616 32.1441 177.6951 26 K 4.2952 7.6534 116.8664 56.2317 33.2861 176.8636 27 V 3.9315 7.0250 111.7408 60.1593 32.7088 175.6438 28 I 4.1077 8.5245 123.1245 60.1022 36.6379 176.0299 29 I 4.4947 7.8777 126.0117 59.2525 40.0769 175.7676 30 R 4.2354 8.4076 124.8727 55.2963 30.8987 177.4592 31 E 3.9482 8.7751 123.1000 59.1275 29.7958 178.0252 32 R 4.0412 7.8290 113.2024 57.3979 30.0513 175.9744 33 D 4.4257 8.0956 121.0380 53.5122 41.3171 175.0090 34 P 4.2368 0.0000 0.0000 64.8151 31.7446 176.4218 35 Y 4.7969 8.6106 117.8041 57.4169 38.2374 177.8044 36 K 4.0719 7.9424 123.6335 60.3041 32.4154 178.5305 37 E 3.8703 8.1811 119.2862 59.2837 29.4672 178.9226 38 E 4.1516 8.3412 118.1547 59.0864 29.5279 179.1050 39 I 3.8671 7.9013 120.2749 64.6321 37.1505 178.3797 40 I 4.1230 7.4980 120.0486 64.5420 36.9619 178.6866 41 K 4.3273 7.9596 120.1725 59.0587 31.7903 179.1497 42 N 4.5114 9.0921 117.2670 56.2466 38.4289 177.6709 43 G 3.3714 8.4570 107.1150 47.7708 0.0000 175.5523 44 E 3.9591 8.4856 121.5374 59.3395 29.5011 179.0053 45 H 4.1614 8.4294 118.2265 59.3951 29.9511 177.3824 46 L 4.1348 8.3047 120.8742 57.2565 41.4078 179.2364 47 L 3.7860 8.0432 120.7945 58.1549 42.0298 179.0290 48 S 4.0578 7.9377 114.7209 61.6739 62.7077 176.6678 49 A 3.9913 8.0965 123.3361 54.9417 18.0448 179.3121 50 F 3.0029 8.3699 119.5847 61.1666 39.3779 177.3848 51 I 3.3770 7.5885 119.1871 64.6717 36.8582 178.3268 52 M 3.9880 7.8429 119.3805 58.4696 31.7016 178.2163 53 Y 4.0547 8.2595 120.0483 60.7397 38.7657 178.1688 54 L 3.6066 7.4179 118.8038 57.1372 41.7029 178.7291 55 K 4.1027 7.4145 115.5676 55.6758 32.3226 176.5268 56 E 3.5900 7.6904 117.8250 57.6449 27.1223 175.0398 57 E 4.4386 8.4076 118.9437 56.4543 30.5852 176.1885 58 I 4.8370 7.3883 110.7567 58.8739 41.0354 174.6275 59 S 4.8662 8.5932 115.9301 56.8519 64.9159 175.3704 60 L 3.8000 8.3951 121.0268 57.7199 41.1830 179.6363 61 Q 4.2670 7.4644 118.7410 58.5783 28.0856 178.3635 62 E 4.1293 8.0306 119.2655 57.8893 29.8490 177.9143 63 I 4.1315 7.5433 112.5598 61.4566 37.9766 177.4205 64 E 3.4978 7.9172 121.6564 59.1604 29.2217 178.6300 65 I 3.6491 7.6467 118.4342 64.5772 37.9373 177.9518 66 T 3.9197 7.7580 115.9435 66.5758 68.3655 176.8448 67 S 4.0863 8.0963 117.1705 61.5951 62.8810 176.9516 68 K 4.0807 8.2270 122.5290 58.5442 31.7637 179.3863 69 K 3.8294 7.9205 119.6602 59.5051 32.0962 178.7698 70 I 3.5869 7.9448 120.1526 64.3845 37.0507 178.1439 71 A 3.9459 7.9273 121.6063 55.1874 18.2058 179.8605 72 R 3.7435 7.9102 114.5314 59.4363 29.3425 178.9548 73 E 3.4089 8.0167 119.2467 59.0006 29.4521 179.5354 74 R 3.9956 8.2864 118.4468 59.1802 30.2274 179.0956 75 I 3.7422 7.8882 119.6013 64.7353 36.9237 178.3386 76 D 4.4640 7.9803 117.7347 56.9968 40.7391 178.2916 77 A 4.1698 8.4256 120.4165 52.3623 18.9573 177.1209 78 K 3.8633 7.7687 115.5159 57.9549 30.2354 175.5334 79 V 4.4690 7.1238 109.0689 58.8879 34.6999 175.9641 80 N 4.2568 8.6435 121.0516 53.9928 38.9881 175.7270 81 I 3.5231 8.2217 125.0138 63.6358 37.8444 177.4340 82 A 4.0858 8.6674 121.8898 54.8200 18.0149 179.2832 83 E 3.9078 8.3544 117.7760 59.5375 29.4188 179.0979 84 F 4.2512 8.0711 120.5261 61.3066 39.3434 177.2654 85 I 3.2019 7.6164 118.8499 64.4193 37.0096 177.4786 86 H 4.0113 8.3216 119.1628 59.6350 29.7808 177.0254 87 N 4.3946 8.5487 118.4139 56.4973 38.3327 177.6942 88 T 4.1356 7.9845 117.5000 66.7811 68.4663 176.6463 89 N 4.2087 8.3093 118.5146 55.8929 38.5305 177.5511 90 V 3.5117 7.7773 119.7970 65.9766 31.5108 178.0025 91 A 4.1354 7.8533 119.0525 55.0240 18.1904 179.4275 92 K 3.0301 7.5998 118.0913 59.4340 32.0570 178.9925 93 I 3.6095 7.8533 120.3257 64.3735 36.9525 178.0781 94 E 3.9534 8.1233 119.8954 59.2981 29.3847 178.8542 95 I 3.7758 8.1039 120.0612 64.7170 37.1235 178.3101 96 M 4.0732 8.2808 119.6656 58.4210 31.7486 178.5347 97 N 4.3600 8.3153 116.7197 56.4050 38.6938 177.5668 98 I 3.5691 8.0024 121.3009 64.0946 36.9410 178.0938 99 L 3.9443 7.9153 120.3095 58.5553 42.1810 178.8219 100 T 4.0917 8.1184 115.5023 66.8764 68.2171 176.6671 101 L 4.0502 7.7120 119.4209 57.5712 41.7079 179.1752 102 L 4.0204 7.9927 117.6441 54.9352 42.7177 176.2258 103 N 4.1255 7.8630 117.1805 53.8952 37.4529 171.5104 104 P 4.5116 0.0000 0.0000 62.2397 32.9013 176.7410 105 D 4.6401 8.3118 119.5537 52.6206 41.5396 177.0276 106 L 3.9549 8.3480 120.7108 58.3221 42.0326 178.3991 107 Q 3.9695 8.1161 118.9031 59.4032 29.0010 178.1091 108 Q 3.9477 8.5035 120.3528 59.2805 29.0337 177.3698 109 Y 4.0458 8.3861 120.8979 60.9502 38.8642 178.2455 110 Q 3.9779 8.6643 119.0286 58.8895 28.7353 178.6326 111 A 3.9720 8.0382 121.7688 55.2383 18.4008 179.7576 112 L 3.9251 8.0092 117.5190 57.6801 41.5993 179.7523 113 V 3.4850 7.8235 118.6531 65.7269 31.2894 177.9511 114 K 3.9435 7.9578 119.2232 59.5531 32.0285 178.9706 115 K 4.1780 7.9094 118.4169 59.4729 31.9840 179.3314 116 I 4.2294 8.3446 120.5468 64.8001 37.0621 178.2560 117 N 4.5393 8.6748 117.4872 56.4849 38.3926 177.5101 118 Q 4.0790 8.5947 119.7586 58.8786 28.8296 178.6881 119 F 3.6474 8.5627 121.5693 61.4298 39.5235 177.3099 120 F 4.2023 8.6189 117.3950 60.4618 38.6267 177.4552 121 D 4.4947 8.7325 119.1401 57.7377 40.5955 178.4308 122 H 4.2463 8.2139 118.6159 59.0627 29.8792 176.8976 123 L 3.8529 7.7867 122.1603 58.3044 41.8999 179.1740 124 I 4.0899 8.0515 119.5374 64.5864 37.0397 177.6666 125 Y 4.1158 8.3717 120.6087 61.1225 38.5997 177.7080 126 Y 3.4849 8.4587 120.7036 60.6750 38.7586 178.0292 127 T 3.7506 7.9808 116.8263 66.5279 68.5200 176.9731 128 V 3.5263 7.8448 120.1759 66.0521 31.5108 177.3371 129 H 3.8761 8.0754 118.3384 59.4229 29.0519 177.1477 130 S 3.8524 8.0228 115.0421 61.2076 62.1831 175.2021 131 Y 3.7494 8.0357 122.5405 61.1117 38.4186 178.0768 132 Y 3.8276 7.8107 117.3271 60.7561 37.6775 178.2187 133 E 3.8884 8.0036 119.0686 59.5606 29.6656 179.1082 134 Q 4.0312 8.0370 117.0468 58.1880 28.8512 177.9944 135 K 3.8643 7.7002 119.8973 58.6453 32.3105 176.3723 136 A 4.1618 7.4912 125.5194 52.3167 18.1650 176.8136 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 5 K 8.31 4.24 0.00 1.70 1.82 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.42 7.81 6 C 7.57 4.62 0.00 2.96 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 7 L 8.50 3.94 0.00 1.75 1.74 0.95 0.54 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 8 L 7.91 3.99 0.00 1.76 1.67 0.95 1.09 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 9 C 8.08 4.26 0.00 3.15 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 10 R 7.87 3.86 0.00 2.05 2.00 0.00 3.30 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 11 Y 8.33 3.90 0.00 3.20 3.16 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 12 L 8.37 4.06 0.00 1.76 1.63 1.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.12 3.89 0.00 1.80 1.96 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 14 E 8.05 4.07 0.00 1.93 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 2.23 2.28 0.00 15 R 7.60 4.41 0.00 1.72 1.84 0.00 3.25 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.52 0.00 16 Q 7.60 4.01 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.76 0.00 17 E 8.15 4.02 0.00 2.04 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 2.43 2.39 0.00 18 K 8.04 3.99 0.00 1.85 2.01 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.53 7.81 19 F 8.79 4.05 0.00 3.30 3.23 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 20 I 8.22 4.00 2.03 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.91 1.16 0.00 0.00 21 S 8.12 4.17 0.00 3.93 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 0.00 22 D 8.29 4.47 0.00 2.77 2.63 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 23 W 8.29 4.03 0.00 3.05 3.36 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 0.00 24 K 8.36 3.37 0.00 1.95 2.03 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.40 7.81 25 K 7.70 4.10 0.00 1.78 1.80 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.62 7.81 26 K 7.65 4.30 0.00 1.71 1.75 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.44 7.81 27 V 7.02 3.93 1.83 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 -0.23 0.00 0.00 0.30 0.00 0.00 28 I 8.52 4.11 1.82 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.36 0.92 0.00 0.00 29 I 7.88 4.49 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 0.90 0.00 0.00 30 R 8.41 4.24 0.00 1.88 1.83 0.00 3.14 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 31 E 8.78 3.95 0.00 1.89 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 2.28 2.35 0.00 32 R 7.83 4.04 0.00 1.95 2.03 0.00 3.09 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 33 D 8.10 4.43 0.00 2.80 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 34 P 0.00 4.24 0.00 1.51 1.93 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 35 Y 8.61 4.80 0.00 3.22 2.98 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 36 K 7.94 4.07 0.00 1.95 2.10 0.00 1.31 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.50 7.81 37 E 8.18 3.87 0.00 2.13 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 0.00 2.43 2.49 0.00 38 E 8.34 4.15 0.00 2.31 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 0.00 2.62 2.65 0.00 39 I 7.90 3.87 2.19 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 1.67 0.99 1.09 0.00 0.00 40 I 7.50 4.12 2.12 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.05 1.10 0.00 0.00 41 K 7.96 4.33 0.00 2.01 1.92 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.21 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.59 7.81 42 N 9.09 4.51 0.00 2.99 2.98 0.00 0.00 6.91 7.86 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 43 G 8.46 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 0.00 0.00 0.00 44 E 8.49 3.96 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 45 H 8.43 4.16 0.00 3.34 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.30 4.13 0.00 1.83 1.84 1.03 0.82 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 47 L 8.04 3.79 0.00 1.63 1.70 0.45 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.94 4.06 0.00 4.05 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 49 A 8.10 3.99 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 50 F 8.37 3.00 0.00 1.90 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 51 I 7.59 3.38 1.93 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 1.48 1.00 0.83 0.00 0.00 52 M 7.84 3.99 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.51 0.00 53 Y 8.26 4.05 0.00 3.13 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 54 L 7.42 3.61 0.00 1.29 1.42 0.10 0.48 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 55 K 7.41 4.10 0.00 1.81 1.75 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.43 7.81 56 E 7.69 3.59 0.00 2.01 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 1.98 2.21 0.00 57 E 8.41 4.44 0.00 2.03 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 2.37 2.32 0.00 58 I 7.39 4.84 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.86 0.95 0.00 0.00 59 S 8.59 4.87 0.00 4.17 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 60 L 8.40 3.80 0.00 1.49 1.42 0.78 -0.08 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 61 Q 7.46 4.27 0.00 2.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 62 E 8.03 4.13 0.00 2.10 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 2.33 2.30 0.00 63 I 7.54 4.13 1.70 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.53 0.84 0.00 0.00 64 E 7.92 3.50 0.00 1.82 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 1.47 1.87 0.00 65 I 7.65 3.65 1.84 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 1.60 1.32 0.92 0.00 0.00 66 T 7.76 3.92 4.35 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 1.25 0.00 0.00 67 S 8.10 4.09 0.00 4.08 4.06 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 68 K 8.23 4.08 0.00 1.97 1.85 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.68 7.81 69 K 7.92 3.83 0.00 1.81 1.96 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.40 7.81 70 I 7.94 3.59 1.83 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 1.49 0.68 0.60 0.00 0.00 71 A 7.93 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.91 3.74 0.00 1.94 2.09 0.00 2.69 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 73 E 8.02 3.41 0.00 2.00 1.68 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 1.47 1.95 0.00 74 R 8.29 4.00 0.00 2.07 2.06 0.00 3.40 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 75 I 7.89 3.74 1.87 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.64 0.74 0.00 0.00 76 D 7.98 4.46 0.00 2.84 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 77 A 8.43 4.17 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 78 K 7.77 3.86 0.00 1.97 1.92 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.60 7.81 79 V 7.12 4.47 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 0.75 0.00 0.00 1.04 0.00 0.00 80 N 8.64 4.26 0.00 2.73 2.72 0.00 0.00 6.68 7.93 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 81 I 8.22 3.52 0.56 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.92 0.67 0.00 0.00 82 A 8.67 4.09 1.41 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 0.00 0.00 0.00 83 E 8.35 3.91 0.00 2.16 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 2.31 2.42 0.00 84 F 8.07 4.25 0.00 3.19 3.27 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 85 I 7.62 3.20 2.01 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 1.60 0.77 0.88 0.00 0.00 86 H 8.32 4.01 0.00 3.16 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.55 4.39 0.00 2.84 2.99 0.00 0.00 7.11 6.60 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 88 T 7.98 4.14 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 89 N 8.31 4.21 0.00 2.75 2.77 0.00 0.00 6.68 8.15 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 90 V 7.78 3.51 2.32 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 1.03 0.00 0.00 0.75 0.00 0.00 91 A 7.85 4.14 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 92 K 7.60 3.03 0.00 0.79 1.46 0.00 1.34 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.11 0.76 7.81 93 I 7.85 3.61 1.99 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 1.35 0.41 0.89 0.00 0.00 94 E 8.12 3.95 0.00 2.08 2.12 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 2.10 2.54 0.00 95 I 8.10 3.78 1.88 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.63 0.92 0.00 0.00 96 M 8.28 4.07 0.00 2.05 2.24 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 2.59 2.80 0.00 97 N 8.32 4.36 0.00 2.94 2.87 0.00 0.00 7.03 6.98 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 98 I 8.00 3.57 1.95 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.30 0.00 0.00 99 L 7.92 3.94 0.00 1.63 1.94 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.12 4.09 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 101 L 7.71 4.05 0.00 1.69 1.69 0.91 1.08 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 0.00 102 L 7.99 4.02 0.00 1.74 1.72 0.84 0.87 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 0.00 103 N 7.86 4.13 0.00 2.79 2.80 0.00 0.00 7.18 7.85 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 0.00 104 P 0.00 4.51 0.00 2.31 2.10 0.00 3.90 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 2.21 2.12 0.00 105 D 8.31 4.64 0.00 2.93 2.86 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 0.00 106 L 8.35 3.95 0.00 1.77 1.72 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.12 3.97 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 108 Q 8.50 3.95 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 109 Y 8.39 4.05 0.00 3.18 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 0.00 110 Q 8.66 3.98 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.69 0.00 111 A 8.04 3.97 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 0.00 112 L 8.01 3.93 0.00 1.60 1.67 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.82 3.49 1.89 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 1.04 0.00 0.00 0.27 0.00 0.00 114 K 7.96 3.94 0.00 1.90 1.96 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.52 7.81 115 K 7.91 4.18 0.00 1.93 1.84 0.00 1.56 0.00 0.00 1.31 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.52 7.81 116 I 8.34 4.23 2.14 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.26 1.11 0.00 0.00 117 N 8.67 4.54 0.00 3.01 2.95 0.00 0.00 7.10 7.79 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 0.00 118 Q 8.59 4.08 0.00 2.51 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 119 F 8.56 3.65 0.00 3.11 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 0.00 120 F 8.62 4.20 0.00 3.36 3.14 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 0.00 121 D 8.73 4.49 0.00 2.80 2.80 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 0.00 122 H 8.21 4.25 0.00 3.30 3.21 0.00 5.79 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 0.00 123 L 7.79 3.85 0.00 1.43 1.73 0.98 1.06 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 0.00 124 I 8.05 4.09 2.09 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 1.35 0.95 1.05 0.00 0.00 125 Y 8.37 4.12 0.00 3.15 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 0.00 126 Y 8.46 3.48 0.00 3.06 2.83 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 0.00 127 T 7.98 3.75 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 0.28 0.00 0.00 128 V 7.84 3.53 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 1.15 0.00 0.00 1.11 0.00 0.00 129 H 8.08 3.88 0.00 2.55 2.83 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.02 3.85 0.00 3.75 3.87 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 0.00 131 Y 8.04 3.75 0.00 2.96 2.80 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 0.00 132 Y 7.81 3.83 0.00 3.24 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.00 3.89 0.00 1.93 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 2.16 2.07 0.00 134 Q 8.04 4.03 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 135 K 7.70 3.86 0.00 1.22 1.51 0.00 1.19 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.17 7.81 136 A 7.49 4.16 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