NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4627 8.3044 118.1958 55.2229 32.5612 174.3571 1 V 4.2513 7.8877 118.6674 60.8995 34.4669 173.2378 2 L 4.3848 8.2886 127.3879 53.8512 43.7417 176.8251 3 S 4.5377 8.6601 117.3600 57.6766 65.3771 175.1171 4 E 4.3030 8.8363 122.6040 59.5056 29.4534 179.1127 5 G 3.6204 8.0933 105.3854 47.7471 0.0000 175.4342 6 E 3.9137 8.0425 120.4311 59.0044 29.4575 179.3998 7 W 4.3446 8.0210 118.9711 59.9296 29.1056 178.5419 8 Q 4.1701 8.5524 118.1872 59.0265 28.0218 178.9258 9 L 4.0827 7.9224 119.6716 57.6532 41.6353 179.7913 10 V 3.7644 7.9115 118.1925 66.2302 31.6189 178.2208 11 L 4.3057 8.6464 118.7585 57.4658 40.9383 179.1020 12 H 4.2334 8.4766 119.1288 59.3091 29.9289 177.7041 13 V 3.4415 7.7844 121.1330 64.3552 31.2568 178.1034 14 W 3.8933 8.4946 128.9871 60.1195 30.2730 177.7576 15 A 3.9667 7.9229 120.2105 54.8809 18.0062 179.5117 16 K 3.9426 7.3028 116.8700 59.4218 32.1962 179.5833 17 V 2.8760 7.2108 118.4403 65.8093 31.0378 177.6136 18 E 3.8753 7.6227 115.9631 58.0235 29.2975 178.4935 19 A 4.2092 7.4891 120.6068 53.6102 19.8499 177.5354 20 D 4.6217 7.9100 116.8324 51.7773 42.2545 175.5004 21 V 3.3947 7.9351 123.0853 65.5681 32.0952 176.7980 22 A 4.0092 7.9446 120.1416 55.0426 18.2384 179.7016 23 G 3.7010 8.2078 105.5735 47.7973 0.0000 175.7647 24 H 4.1657 8.2566 119.0188 58.2695 28.6739 178.0789 25 G 3.5387 8.2175 107.7858 47.8309 0.0000 175.7449 26 Q 3.8846 7.9804 120.4781 58.7378 28.8009 178.4220 27 D 4.3364 8.0838 119.8545 57.5492 40.8161 179.1692 28 I 3.7369 7.8535 119.9784 64.4773 37.1017 178.5523 29 F 3.8746 8.0005 118.5206 60.5192 38.5805 177.8551 30 I 3.7518 7.9068 119.5128 64.2644 36.8859 178.4160 31 R 3.7951 7.9575 119.5542 59.2275 29.8733 178.2854 32 L 3.8782 7.8620 120.1152 58.3608 41.7028 179.0890 33 F 4.6604 7.9644 118.0085 60.4578 38.5532 177.9426 34 K 4.0537 8.2867 118.0417 59.4546 31.9745 179.2925 35 S 4.2712 7.9810 114.5901 60.3619 64.2444 174.5526 36 H 4.6944 8.3921 118.5156 51.7863 29.3327 171.6928 37 P 4.4394 0.0000 0.0000 64.6942 31.3421 177.5690 38 E 4.0862 8.2141 116.0843 59.4749 29.5475 179.1537 39 T 3.6922 8.1247 111.0400 64.3867 68.7649 176.3114 40 L 3.5757 7.8369 122.8635 57.7054 41.7349 178.6499 41 E 4.0305 7.7573 117.9456 58.9387 29.3931 178.9308 42 K 4.2572 7.8622 116.9872 57.3069 33.0270 177.2614 43 F 4.2041 7.7725 119.1061 55.2294 37.8105 175.7600 44 D 4.3561 8.3167 125.7429 57.2515 41.0468 178.7668 45 R 4.1703 7.8472 117.1774 58.7617 30.4814 177.2791 46 F 5.1341 7.4681 111.7743 56.3114 38.4627 176.2276 47 K 4.1321 8.2295 120.4901 59.5283 32.5612 177.0496 48 H 4.4835 8.0993 114.4346 56.7181 29.2176 175.6897 49 L 4.0695 7.2556 120.8147 55.3136 41.7924 176.9655 50 K 4.3714 9.3199 122.7448 56.9861 33.8594 176.7930 51 T 4.7391 7.4541 107.6069 58.9352 73.1766 174.2839 52 E 3.9385 8.6240 120.8528 59.1692 29.6761 178.5279 53 A 3.9756 7.9317 120.4790 55.2841 18.3072 179.2939 54 E 3.9270 7.8566 115.5836 59.7491 29.9144 179.2154 55 M 4.1479 8.0772 118.7329 58.4161 31.8261 179.0323 56 K 3.9975 8.2941 117.6458 58.9385 32.2935 178.5104 57 A 4.3724 7.5772 118.6610 51.7562 19.2802 177.1522 58 S 4.2095 7.3569 113.6882 57.4726 62.9685 174.5406 59 E 3.9832 8.8279 128.8251 59.3459 29.4980 178.3236 60 D 4.4121 8.0211 118.6783 57.1629 40.9180 178.2865 61 L 3.2191 7.6081 120.8474 57.6715 42.0188 178.8761 62 K 3.8229 7.7858 119.1962 59.4355 32.1463 178.8339 63 K 3.9607 8.2392 118.8352 59.6412 31.9245 179.1345 64 Q 4.3329 8.4582 119.9453 59.0898 28.9526 178.4233 65 G 3.0472 8.2817 107.0982 47.5150 0.0000 175.8926 66 V 3.5270 7.7170 120.6629 65.9514 31.6237 178.1353 67 T 3.9000 8.0033 115.4836 66.6415 68.3344 176.2029 68 F 4.3443 8.5635 122.5525 61.5731 39.4313 177.2244 69 L 3.4223 7.8326 118.5721 57.7643 41.3495 179.6652 70 T 3.8881 8.1403 115.7383 66.5094 68.4447 176.5853 71 A 3.9709 7.9258 122.6345 55.0559 18.3772 179.4706 72 L 3.7163 7.9228 119.0510 58.0247 42.1191 179.3006 73 G 3.3507 8.4279 105.9026 47.7872 0.0000 175.5124 74 A 3.9978 7.6591 122.0594 54.6987 18.6189 179.6469 75 I 3.7742 7.4470 117.8877 64.5964 37.2700 178.5976 76 L 3.9406 7.6812 119.8569 57.7332 41.1605 179.6996 77 K 3.9650 7.6791 116.8920 58.5455 32.2364 178.9610 78 K 3.9200 7.8017 118.5591 56.3648 32.2715 176.8371 79 K 2.0000 8.1585 117.8122 56.3806 29.7608 175.9493 80 G 3.9642 7.9858 106.6717 45.7068 0.0000 174.2764 81 H 4.6945 7.5600 118.5651 54.4068 27.3951 174.7965 82 H 5.3757 7.5447 111.2849 54.4047 29.7975 176.5582 83 E 3.9700 8.5499 120.5260 60.5095 28.7744 178.8150 84 A 4.1222 7.9166 120.1428 54.6190 17.6979 179.0099 85 E 4.1151 8.1662 116.6231 59.3782 29.5794 179.3231 86 L 4.2809 8.3132 119.3549 57.2859 41.6206 179.3356 87 K 3.9425 7.8031 118.3057 59.2048 32.1109 177.5539 88 P 4.3490 0.0000 0.0000 65.5366 31.3223 178.2053 89 L 4.0309 7.5394 117.3459 57.9628 42.0393 178.7456 90 A 4.2154 8.4911 121.2376 55.1846 18.3525 179.3371 91 Q 3.8892 8.2380 118.3251 59.3866 29.0875 178.7682 92 S 4.0200 8.1433 115.2630 61.8943 63.1240 176.1575 93 H 4.1321 8.6721 119.5654 57.7667 27.8746 177.6827 94 A 2.5931 7.9054 122.8137 54.6190 18.2825 179.5277 95 T 3.7808 7.3947 112.4220 65.3739 68.9129 176.2481 96 K 4.0484 7.4498 120.2264 58.8981 32.8323 177.3501 97 H 4.2324 7.9511 115.2786 56.3464 29.3156 175.5791 98 K 3.3466 7.3543 116.8210 55.8647 28.4954 174.0942 99 I 4.3009 8.1196 118.9894 58.5076 38.4486 174.7624 100 P 4.5418 0.0000 0.0000 62.2432 32.1143 177.4361 101 I 3.6531 8.3882 121.1452 64.6238 36.8962 178.7390 102 K 3.7598 7.8656 119.8800 59.4494 31.9820 178.2566 103 Y 4.2178 8.0030 117.1616 60.6613 37.8420 178.0077 104 L 4.2435 7.8493 119.8340 57.6052 41.8072 179.0714 105 E 4.0571 8.0590 118.7224 59.4156 29.4900 179.2815 106 F 4.5154 8.0327 117.8576 60.8420 38.9321 177.6299 107 I 3.8954 8.1322 118.0875 63.8878 37.7253 178.1573 108 S 4.2583 8.1645 116.0331 61.4983 62.6872 176.0871 109 E 4.0318 8.4418 121.8810 59.3477 29.4226 178.7995 110 A 4.0930 8.0588 120.6432 55.0821 18.4266 179.7205 111 I 3.7859 8.1724 118.5324 64.7263 37.2690 178.7173 112 I 3.8696 8.0725 120.6968 64.5445 36.9280 178.0002 113 H 4.1177 8.4484 119.1057 59.3366 29.6709 177.5772 114 V 3.6058 7.9273 120.0119 65.9974 31.2984 178.0267 115 L 3.7859 7.8741 118.8034 57.7737 41.0530 178.9021 116 H 4.3282 7.8626 117.3869 59.3949 29.8824 177.3227 117 S 4.1807 7.8669 115.8648 61.7002 62.8234 176.5234 118 R 4.0491 7.9341 119.2666 57.7128 31.1608 176.5116 119 H 5.0336 8.2395 115.5490 53.6718 29.6000 172.8403 120 P 4.3025 0.0000 0.0000 65.9632 31.5430 179.3293 121 G 3.6717 8.1438 106.4039 47.4577 0.0000 173.6775 122 N 4.9798 8.1586 115.2177 52.9683 39.4714 174.9243 123 F 4.8952 7.8596 118.7942 56.3073 39.4818 174.0333 124 G 3.9172 7.6046 109.5754 43.6762 0.0000 171.8417 125 A 3.8975 8.4302 120.7076 55.5024 18.2255 179.6328 126 D 4.1918 7.9762 116.4432 57.4392 40.8960 178.7672 127 A 3.9107 7.7339 120.7992 55.0640 18.4252 179.3332 128 Q 3.0986 7.7615 118.3513 58.8209 28.9840 178.5712 129 G 3.5574 8.0946 106.6991 47.7036 0.0000 175.5600 130 A 3.8398 8.0126 123.2352 54.9775 18.3387 179.4367 131 M 3.9969 8.2068 116.9041 58.7722 32.2976 177.9328 132 N 4.3225 8.6384 117.6852 56.5531 39.1442 176.6717 133 K 3.8350 8.2198 120.9166 59.4448 32.2550 178.6221 134 A 3.8549 7.9852 121.0361 55.1810 18.2194 179.6788 135 L 4.1315 8.2296 117.6245 57.8381 41.5981 179.5522 136 E 3.9969 8.6359 119.1756 59.0994 29.3684 179.0549 137 L 3.9433 8.0834 120.3923 58.1257 42.1453 178.5938 138 F 4.1366 8.3934 120.5201 61.6494 39.2918 177.2742 139 R 3.5467 8.3135 117.6053 58.9184 29.8097 179.0423 140 K 3.8517 8.2465 119.6105 59.6050 32.3605 178.7129 141 D 4.2770 8.0730 119.1883 57.3862 40.6700 178.6571 142 I 3.4697 7.6220 119.1551 63.5991 37.8063 177.7920 143 A 3.6916 7.8319 121.7009 54.9627 18.2895 179.4557 144 A 3.9447 7.8685 119.3025 55.1241 18.4172 179.8374 145 K 3.9753 7.8902 117.9660 59.7106 32.1852 178.6266 146 Y 4.3803 8.4337 117.5538 61.0803 37.9242 178.6056 147 K 3.9591 8.1921 120.4253 59.7430 32.1233 178.7472 148 E 4.0524 7.9726 117.2504 59.1297 29.4533 178.6553 149 L 4.3318 7.8229 117.0605 55.3425 41.9298 177.8040 150 G 3.9649 7.9601 107.1255 45.5487 0.0000 172.8621 151 Y 4.3614 8.4964 119.6887 59.1657 40.1382 177.7059 152 Q 3.2530 7.9302 116.8533 56.7158 28.0594 173.7413 153 G 3.3289 6.5305 109.3625 44.9318 0.0000 174.0525 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 0 M 8.30 4.46 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 7.89 4.25 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 0.88 0.00 0.00 0.96 0.00 0.00 2 L 8.29 4.38 0.00 0.98 0.77 0.61 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.66 4.54 0.00 4.05 3.97 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 4 E 8.84 4.30 0.00 2.20 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 0.00 2.43 2.52 0.00 5 G 8.09 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 0.00 0.00 0.00 6 E 8.04 3.91 0.00 1.92 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 2.21 2.25 0.00 7 W 8.02 4.34 0.00 3.59 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 8 Q 8.55 4.17 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 9 L 7.92 4.08 0.00 1.93 1.74 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.91 3.76 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.93 0.00 0.00 11 L 8.65 4.31 0.00 1.81 1.81 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.48 4.23 0.00 3.43 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.78 3.44 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.87 0.00 0.00 14 W 8.49 3.89 0.00 3.68 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.92 3.97 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 16 K 7.30 3.94 0.00 1.34 1.67 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 17 V 7.21 2.88 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 -0.11 0.00 0.00 0.42 0.00 0.00 18 E 7.62 3.88 0.00 1.96 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 0.00 2.20 2.05 0.00 19 A 7.49 4.21 1.28 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 0.00 0.00 20 D 7.91 4.62 0.00 2.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.94 3.39 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 0.98 0.00 0.00 0.81 0.00 0.00 22 A 7.94 4.01 1.28 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 0.00 0.00 23 G 8.21 3.70 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 0.00 0.00 0.00 24 H 8.26 4.17 0.00 3.08 3.21 0.00 5.83 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 25 G 8.22 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.98 3.88 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 27 D 8.08 4.34 0.00 2.76 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 28 I 7.85 3.74 2.03 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.72 1.09 0.00 0.00 29 F 8.00 3.87 0.00 2.95 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.91 3.75 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.92 0.00 0.00 31 R 7.96 3.80 0.00 1.94 2.16 0.00 3.03 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 32 L 7.86 3.88 0.00 1.71 1.32 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.96 4.66 0.00 3.05 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 34 K 8.29 4.05 0.00 1.67 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.73 7.81 35 S 7.98 4.27 0.00 3.71 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.39 4.69 0.00 2.84 2.73 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.44 0.00 2.14 2.12 0.00 3.82 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 2.09 2.14 0.00 38 E 8.21 4.09 0.00 2.28 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 2.29 2.56 0.00 39 T 8.12 3.69 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 40 L 7.84 3.58 0.00 1.16 1.66 0.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.76 4.03 0.00 2.14 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 2.34 2.34 0.00 42 K 7.86 4.26 0.00 1.71 1.56 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.65 1.86 7.81 43 F 7.77 4.20 0.00 2.61 1.74 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 44 D 8.32 4.36 0.00 2.59 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 45 R 7.85 4.17 0.00 1.74 2.22 0.00 3.23 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 46 F 7.47 5.13 0.00 3.10 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 47 K 8.23 4.13 0.00 1.87 2.14 0.00 1.45 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.48 7.81 48 H 8.10 4.48 0.00 3.31 3.47 0.00 5.54 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.26 4.07 0.00 1.61 1.60 0.86 0.61 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 50 K 9.32 4.37 0.00 1.68 1.83 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.55 7.81 51 T 7.45 4.74 4.23 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 1.20 0.00 0.00 52 E 8.62 3.94 0.00 2.06 1.98 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 2.37 2.38 0.00 53 A 7.93 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.86 3.93 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 55 M 8.08 4.15 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.60 0.00 56 K 8.29 4.00 0.00 1.81 1.85 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.52 7.81 57 A 7.58 4.37 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 58 S 7.36 4.21 0.00 3.81 3.72 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 59 E 8.83 3.98 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 60 D 8.02 4.41 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.61 3.22 0.00 0.85 1.49 0.84 0.57 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 62 K 7.79 3.82 0.00 1.85 1.90 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 63 K 8.24 3.96 0.00 2.07 1.92 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.74 7.81 64 Q 8.46 4.33 0.00 2.61 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 3.06 3.34 0.00 65 G 8.28 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 0.00 0.00 0.00 66 V 7.72 3.53 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.93 0.00 0.00 67 T 8.00 3.90 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 68 F 8.56 4.34 0.00 3.35 3.34 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 69 L 7.83 3.42 0.00 1.63 1.58 0.80 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.14 3.89 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 1.23 0.00 0.00 71 A 7.93 3.97 1.42 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 0.00 0.00 0.00 72 L 7.92 3.72 0.00 1.41 1.45 0.40 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.43 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 0.00 0.00 0.00 74 A 7.66 4.00 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 75 I 7.45 3.77 1.84 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 1.56 0.64 0.92 0.00 0.00 76 L 7.68 3.94 0.00 1.27 1.46 -0.24 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 3.97 0.00 1.63 1.78 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.45 7.81 78 K 7.80 3.92 0.00 1.82 1.80 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.62 1.74 7.81 79 K 8.16 2.00 0.00 1.29 0.74 0.00 1.48 0.00 0.00 1.44 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.60 7.81 80 G 7.99 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.56 4.69 0.00 3.17 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.54 5.38 0.00 3.32 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.55 3.97 0.00 2.20 2.30 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 2.39 2.36 0.00 84 A 7.92 4.12 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 85 E 8.17 4.12 0.00 2.25 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 2.47 0.00 86 L 8.31 4.28 0.00 1.96 1.73 0.99 0.84 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 87 K 7.80 3.94 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 88 P 0.00 4.35 0.00 2.31 2.34 0.00 3.95 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 2.25 2.05 0.00 89 L 7.54 4.03 0.00 1.86 1.95 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.49 4.22 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.24 3.89 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.14 4.02 0.00 4.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.67 4.13 0.00 3.57 3.59 0.00 5.80 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 94 A 7.91 2.59 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.39 3.78 4.18 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 1.11 0.00 0.00 96 K 7.45 4.05 0.00 1.52 1.49 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.34 7.81 97 H 7.95 4.23 0.00 2.99 3.11 0.00 5.86 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 98 K 7.35 3.35 0.00 1.76 1.77 0.00 1.61 0.00 0.00 1.39 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.24 7.81 99 I 8.12 4.30 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 1.13 0.00 0.00 100 P 0.00 4.54 0.00 1.95 1.98 0.00 3.21 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.23 0.00 101 I 8.39 3.65 1.82 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.92 0.87 0.00 0.00 102 K 7.87 3.76 0.00 1.70 1.61 0.00 0.95 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 0.66 7.81 103 Y 8.00 4.22 0.00 3.19 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 0.00 104 L 7.85 4.24 0.00 1.87 1.86 0.78 1.21 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 0.00 105 E 8.06 4.06 0.00 2.09 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 0.00 2.34 2.44 0.00 106 F 8.03 4.52 0.00 3.18 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 0.00 107 I 8.13 3.90 1.96 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 1.12 0.00 0.00 108 S 8.16 4.26 0.00 4.26 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 0.00 109 E 8.44 4.03 0.00 2.20 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 0.00 2.39 2.43 0.00 110 A 8.06 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.17 3.79 2.20 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.20 1.09 0.00 0.00 112 I 8.07 3.87 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.18 1.14 0.00 0.00 113 H 8.45 4.12 0.00 3.39 3.52 0.00 5.78 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 0.00 114 V 7.93 3.61 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 1.02 0.00 0.00 0.99 0.00 0.00 115 L 7.87 3.79 0.00 0.50 0.66 0.78 0.67 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 0.00 116 H 7.86 4.33 0.00 3.44 3.60 0.00 5.95 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 0.00 117 S 7.87 4.18 0.00 3.82 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.93 4.05 0.00 1.57 1.63 0.00 3.13 0.00 0.00 2.96 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 119 H 8.24 5.03 0.00 3.20 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.30 0.00 2.21 2.27 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 121 G 8.14 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 0.00 122 N 8.16 4.98 0.00 2.81 2.94 0.00 0.00 6.67 7.48 0.00 0.00 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 F 7.86 4.90 0.00 2.99 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 0.00 124 G 7.60 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 0.00 125 A 8.43 3.90 1.28 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 0.00 0.00 126 D 7.98 4.19 0.00 2.64 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 0.00 127 A 7.73 3.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.76 3.10 0.00 1.28 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 129 G 8.09 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.01 3.84 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 0.00 131 M 8.21 4.00 0.00 2.41 2.39 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.94 0.00 132 N 8.64 4.32 0.00 2.86 2.93 0.00 0.00 6.88 6.65 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 0.00 133 K 8.22 3.84 0.00 1.92 1.77 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.37 7.81 134 A 7.99 3.85 1.24 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 0.00 0.00 135 L 8.23 4.13 0.00 1.79 1.85 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.64 4.00 0.00 2.15 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 2.36 2.56 0.00 137 L 8.08 3.94 0.00 1.89 1.99 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.39 4.14 0.00 3.19 3.26 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 0.00 139 R 8.31 3.55 0.00 2.02 1.89 0.00 3.21 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.04 0.00 140 K 8.25 3.85 0.00 1.82 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.07 4.28 0.00 2.75 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 0.00 142 I 7.62 3.47 1.14 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.37 0.30 0.00 0.00 143 A 7.83 3.69 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 0.00 144 A 7.87 3.94 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 0.00 145 K 7.89 3.98 0.00 2.04 1.99 0.00 1.57 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 146 Y 8.43 4.38 0.00 3.41 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 0.00 147 K 8.19 3.96 0.00 2.00 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.97 4.05 0.00 2.23 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 2.36 2.51 0.00 149 L 7.82 4.33 0.00 1.84 1.71 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.50 4.36 0.00 2.75 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 0.00 152 Q 7.93 3.25 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 153 G 6.53 3.33 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 0.00