NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5332 8.3044 120.2866 55.2802 33.8643 173.9701 3 V 4.2322 8.0718 121.6765 59.8303 33.7896 172.8847 4 W 4.6073 9.1641 135.0000 57.5771 31.6452 174.8124 5 T 4.2294 8.1733 123.8045 61.3797 67.0529 172.6485 6 P 4.5425 0.0000 0.0000 63.2035 32.3066 175.6024 7 V 4.0301 7.3453 120.0580 62.7066 32.8055 175.3774 8 N 4.1916 8.7053 125.2597 54.8413 35.8872 173.3660 9 N 5.0353 7.5447 108.0290 52.9602 40.3033 174.1240 10 K 4.0778 8.4224 116.0438 56.4517 32.6402 176.5037 11 M 4.9491 8.3525 121.0634 53.9551 35.0832 175.3388 12 F 4.6229 8.0608 116.8121 57.2701 41.0955 176.5548 13 E 3.5041 8.3786 122.0097 57.1563 27.7714 175.4621 14 T 3.8324 8.3546 122.2864 66.4168 68.9881 174.3271 15 F 4.5370 8.9933 123.9189 57.6000 36.8616 176.6835 16 S 4.3926 8.1883 114.9812 60.8001 62.8799 174.6200 17 Y 4.4136 8.3153 116.8066 58.0202 38.1195 174.9539 18 L 4.7325 7.5310 119.8330 52.0240 43.8376 174.4854 19 P 4.4367 0.0000 0.0000 61.9227 31.7832 175.0283 20 P 4.3324 0.0000 0.0000 62.6067 31.8002 176.5482 21 L 3.9816 8.2986 122.6826 54.8512 42.2265 177.9754 22 T 4.2595 8.1743 113.8649 61.1174 71.1696 175.3748 23 D 4.3868 8.5607 121.2690 57.6171 40.8015 178.7743 24 E 3.9082 8.0974 119.2651 59.3944 29.8055 178.8024 25 Q 3.9370 7.8888 117.7437 58.7354 28.7459 178.5872 26 I 3.7220 8.1607 121.1178 64.3878 37.1762 178.2019 27 A 4.0349 8.3060 121.5574 55.2793 18.2757 179.5506 28 A 3.9841 8.1454 119.1427 55.3823 18.3856 179.9567 29 Q 4.1207 8.1189 116.4752 59.0393 28.8345 178.9060 30 V 3.7404 8.1685 119.4077 66.1788 31.5791 177.7314 31 D 4.4270 8.4086 118.6936 57.5314 40.5828 178.1884 32 Y 4.1586 7.9826 119.4477 60.7345 38.8372 178.0030 33 I 3.9213 7.9772 120.7327 64.6731 37.3390 178.5991 34 V 3.5152 7.9195 118.4914 65.9957 31.1866 177.8334 35 A 3.9235 8.2481 119.5577 54.7050 18.2371 178.3795 36 N 4.0666 7.1504 111.9323 52.2163 38.7048 175.8407 37 G 3.7679 7.3615 108.2931 45.9898 0.0000 174.0221 38 W 4.9443 7.5280 118.9247 56.1387 30.6331 176.2934 39 I 4.4037 8.8283 123.0378 59.4132 37.8787 174.0132 40 P 4.8950 0.0000 0.0000 62.8955 32.8164 175.2308 41 C 5.0118 9.0984 121.9359 58.3086 35.6625 172.4335 42 L 5.3189 8.7472 123.7581 53.2232 44.4410 175.2062 43 E 5.6439 9.2215 121.1405 54.9174 34.0803 174.6095 44 F 5.5965 9.1635 116.3403 55.8827 42.1449 173.0293 45 A 4.5267 8.2781 120.3117 50.1688 22.6461 176.2522 46 E 4.2981 8.6384 118.7992 55.7293 30.7295 177.6999 47 A 4.2943 8.8490 122.8277 55.8454 18.4187 179.8295 48 D 4.5098 8.1782 113.3212 56.4185 41.0414 177.2128 49 K 4.5965 7.9124 117.1070 56.0421 32.5390 176.8008 50 A 3.9089 7.6588 124.5755 53.7423 19.0017 178.2408 51 Y 4.6852 7.4647 111.3563 55.5340 40.2840 175.7253 52 V 3.7930 8.3960 122.2028 63.9186 31.9248 175.2662 53 S 4.7821 8.8970 119.7891 56.6654 66.3579 173.6996 54 N 5.1829 8.5466 114.4429 52.7498 38.9899 176.1674 55 E 3.9603 8.2259 120.8691 59.7530 29.5498 179.0843 56 S 4.0354 8.7688 115.2701 60.4319 62.8700 175.7324 57 A 2.5800 7.6457 123.0317 53.0034 17.7934 178.9849 58 I 3.5787 6.9231 116.7016 63.4978 38.0836 177.1030 59 R 4.2638 7.3977 116.3821 55.7420 30.5386 176.2768 60 F 5.0643 7.0251 118.0662 55.8960 41.2305 177.6391 61 G 3.9816 8.2632 115.6448 46.2304 0.0000 175.4245 62 S 4.6140 8.4238 114.0760 58.2467 61.8613 174.3772 63 V 4.4619 7.2205 107.2719 61.1504 33.3630 177.6536 64 S 4.4896 8.2257 115.2271 59.4810 63.6291 173.4381 65 C 3.9622 8.1352 118.6884 61.6478 27.9487 173.2457 66 L 3.6286 8.4510 123.3408 55.6419 39.0383 173.2077 67 Y 4.4531 7.8341 119.1074 55.9254 40.1971 174.5484 68 Y 4.8501 7.1460 123.0998 56.3748 42.3273 174.7152 69 D 4.4772 8.8870 123.5746 55.2726 41.6962 177.0336 70 N 4.4584 8.9001 116.2004 54.0602 36.1266 176.0112 71 R 3.9416 7.9513 118.4473 59.3484 30.3256 177.1418 72 Y 4.3957 7.7039 114.6773 57.8862 38.3596 175.1567 73 W 5.0186 8.6968 124.1463 55.3915 32.6022 174.6665 74 T 4.2999 8.1862 117.3136 62.6241 69.4448 174.6528 75 M 4.6175 8.5296 126.5757 55.3314 33.1491 175.1898 76 W 4.7726 9.6057 135.0000 56.2773 31.3270 176.8373 77 K 3.3953 8.4961 128.6612 57.6129 30.7322 177.8958 78 L 4.9180 8.2451 124.9859 52.6366 44.9899 174.0292 79 P 4.3451 0.0000 0.0000 63.4459 32.1189 177.5538 80 M 4.2970 8.6001 123.2956 53.7046 30.4292 175.5659 81 F 4.4505 7.3873 118.7597 58.7903 40.0122 176.4178 82 G 3.9635 9.1387 112.5084 45.5857 0.0000 172.9588 83 C 4.2873 7.8676 120.5102 59.6471 31.6402 173.3424 84 R 4.6044 8.5740 125.8497 55.5966 31.1597 174.9854 85 D 4.5793 7.8603 117.7314 51.1793 43.1051 173.8035 86 P 4.3449 0.0000 0.0000 65.9892 31.2188 178.5181 87 M 4.1199 8.3225 117.5960 58.2966 31.9250 178.4886 88 Q 3.9847 8.0223 119.4247 59.0452 29.2152 178.6005 89 V 3.6159 7.7321 118.7556 66.0699 31.8379 177.7867 90 L 4.0278 7.9326 118.7430 57.9864 41.4439 179.7829 91 R 3.9724 8.4166 118.3184 59.3369 29.9912 179.0123 92 E 4.1256 8.1437 118.0317 59.1341 29.4095 179.2660 93 I 3.4847 7.7673 120.0391 64.3571 37.2057 178.4364 94 V 3.4674 7.6035 118.3939 65.9403 31.3427 177.8989 95 A 3.9171 7.9868 120.3419 55.1860 18.2841 179.1454 96 C 2.0000 7.7420 117.5856 62.1129 31.1144 176.0148 97 T 3.7485 7.5919 111.2122 64.2989 67.9965 176.4524 98 K 3.8260 7.6296 121.8942 59.3266 32.3203 178.4290 99 A 3.9967 7.6585 119.9523 53.5366 19.6986 177.6397 100 F 4.7221 7.7925 115.7486 54.9916 39.0744 173.9562 101 P 4.4328 0.0000 0.0000 64.1271 31.8760 177.8862 102 D 4.6787 8.0652 116.7088 53.8967 41.3109 175.4940 103 A 4.6848 7.3402 121.3314 50.5358 21.0714 177.1966 104 Y 4.1991 8.5015 117.7787 57.9347 39.3375 175.3152 105 V 5.2722 8.9763 123.0979 61.1745 35.2901 174.2746 106 R 5.0088 9.6015 123.8354 54.2655 33.0539 173.7940 107 L 4.8119 8.1516 123.5563 53.9661 43.7284 175.7285 108 V 4.8315 8.7952 118.4544 59.4522 36.3203 174.2018 109 A 4.9340 7.9862 121.7812 50.4584 22.7388 175.1803 110 F 5.2247 8.9954 120.0110 55.7374 42.4758 174.2007 111 D 5.3296 8.8317 122.7219 52.7396 42.2731 176.6625 112 N 4.7076 9.1573 123.3050 54.4637 38.3830 176.4383 113 Q 4.1881 8.6614 118.6646 58.8545 28.9894 177.5559 114 K 4.0336 8.3359 114.7140 56.9533 32.9996 176.5114 115 Q 3.4267 8.0384 118.4816 55.8377 27.0192 172.6174 116 V 4.4888 7.7903 117.3567 60.1485 34.9938 173.9421 117 Q 4.3261 8.7411 123.2982 56.4817 29.3165 175.5045 118 I 4.2162 8.3293 124.9125 61.2360 39.7508 174.5246 119 M 4.7073 6.8872 117.6116 54.1009 34.6711 173.8197 120 G 4.7530 8.2586 106.4484 47.1938 0.0000 172.3144 121 F 5.0126 7.0629 115.7407 55.3659 41.0652 172.7500 122 L 4.4191 8.8447 122.8365 55.4967 41.9874 176.7579 123 V 4.4702 8.7847 118.5155 61.6693 34.0106 175.8419 124 Q 4.5952 7.8383 121.1905 54.3161 32.4415 173.4205 125 R 4.3573 8.1575 121.8265 52.9286 32.5791 173.6646 126 P 4.1897 0.0000 0.0000 62.7502 31.7285 177.6244 127 K 4.1127 8.4675 120.1017 59.1076 32.1373 178.0361 128 T 4.1588 7.7659 106.9511 62.1489 69.4073 174.8023 129 A 4.2947 7.8539 126.9012 52.8142 18.7106 177.3841 130 R 4.6129 8.7470 119.8954 55.8760 31.9561 175.2863 131 D 4.8982 8.4461 116.7222 52.7682 39.6956 175.4403 132 F 5.3504 7.7777 113.1037 55.4546 41.0712 173.7495 133 Q 4.4113 8.3918 119.5998 53.0179 31.6557 174.1882 134 P 4.5451 0.0000 0.0000 62.2279 31.9812 176.9152 135 A 3.9573 8.8345 122.7999 55.5764 18.2084 179.4799 136 N 4.5260 8.0857 110.4941 54.4221 37.8543 175.7295 137 K 4.4355 7.7865 117.6670 56.2695 32.6050 177.4216 138 R 3.5984 7.5200 120.8665 57.7253 30.1584 176.7013 139 S 5.1102 7.5294 110.2901 56.3131 66.0246 174.2403 140 V 3.9926 8.5339 114.6908 61.7322 32.0912 175.6228 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 2 M 8.30 4.53 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 3 V 8.07 4.23 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 0.97 0.00 0.00 4 W 9.16 4.61 0.00 3.48 3.03 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 5 T 8.17 4.23 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 1.10 0.00 0.00 6 P 0.00 4.54 0.00 2.23 2.19 0.00 3.78 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 1.95 1.96 0.00 7 V 7.35 4.03 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.71 4.19 0.00 2.88 2.89 0.00 0.00 6.80 8.00 0.00 0.00 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 N 7.54 5.04 0.00 2.64 2.67 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.42 4.08 0.00 1.97 1.59 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.21 1.25 7.81 11 M 8.35 4.95 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 12 F 8.06 4.62 0.00 3.07 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 13 E 8.38 3.50 0.00 2.15 1.73 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 2.21 2.14 0.00 14 T 8.35 3.83 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 15 F 8.99 4.54 0.00 3.30 3.11 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 16 S 8.19 4.39 0.00 4.12 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 0.00 17 Y 8.32 4.41 0.00 3.02 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 18 L 7.53 4.73 0.00 1.84 1.61 0.91 0.92 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 19 P 0.00 4.44 0.00 2.03 2.00 0.00 3.70 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 2.03 2.13 0.00 20 P 0.00 4.33 0.00 2.04 1.99 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 21 L 8.30 3.98 0.00 1.58 1.48 0.24 0.52 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 22 T 8.17 4.26 4.22 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 1.18 0.00 0.00 23 D 8.56 4.39 0.00 2.70 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 24 E 8.10 3.91 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 25 Q 7.89 3.94 0.00 2.30 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 26 I 8.16 3.72 2.06 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 1.63 0.85 1.07 0.00 0.00 27 A 8.31 4.03 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 28 A 8.15 3.98 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 29 Q 8.12 4.12 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.37 1.91 0.00 30 V 8.17 3.74 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 1.15 0.00 0.00 1.06 0.00 0.00 31 D 8.41 4.43 0.00 3.00 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 32 Y 7.98 4.16 0.00 3.24 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 33 I 7.98 3.92 2.18 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.97 1.10 0.00 0.00 34 V 7.92 3.52 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 1.00 0.00 0.00 0.96 0.00 0.00 35 A 8.25 3.92 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 36 N 7.15 4.07 0.00 1.44 1.42 0.00 0.00 7.04 8.94 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 37 G 7.36 3.77 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 0.00 0.00 0.00 38 W 7.53 4.94 0.00 3.36 3.07 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 39 I 8.83 4.40 2.13 0.00 0.00 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 1.49 0.99 0.77 0.00 0.00 40 P 0.00 4.89 0.00 2.09 1.99 0.00 3.80 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 9.10 5.01 0.00 3.08 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 42 L 8.75 5.32 0.00 1.84 1.62 0.86 0.81 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 43 E 9.22 5.64 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 44 F 9.16 5.60 0.00 3.07 3.02 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 45 A 8.28 4.53 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.64 4.30 0.00 2.18 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 0.00 2.30 2.28 0.00 47 A 8.85 4.29 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 48 D 8.18 4.51 0.00 2.70 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 4.60 0.00 1.52 1.68 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 A 7.66 3.91 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 51 Y 7.46 4.69 0.00 2.90 2.74 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 52 V 8.40 3.79 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 0.63 0.00 0.00 0.74 0.00 0.00 53 S 8.90 4.78 0.00 4.08 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 54 N 8.55 5.18 0.00 2.75 2.85 0.00 0.00 6.57 7.66 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 55 E 8.23 3.96 0.00 2.15 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 0.00 2.39 2.38 0.00 56 S 8.77 4.04 0.00 4.03 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 57 A 7.65 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 6.92 3.58 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.85 0.00 0.00 59 R 7.40 4.26 0.00 1.90 2.00 0.00 3.19 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 60 F 7.03 5.06 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.26 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 0.00 0.00 0.00 62 S 8.42 4.61 0.00 3.86 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 63 V 7.22 4.46 1.84 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 0.66 0.00 0.00 0.50 0.00 0.00 64 S 8.23 4.49 0.00 4.11 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 0.00 65 C 8.14 3.96 0.00 2.96 2.96 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 66 L 8.45 3.63 0.00 1.77 1.76 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.83 4.45 0.00 2.88 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 68 Y 7.15 4.85 0.00 2.81 2.71 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 69 D 8.89 4.48 0.00 2.79 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 70 N 8.90 4.46 0.00 3.06 3.24 0.00 0.00 6.97 7.66 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 71 R 7.95 3.94 0.00 1.52 1.70 0.00 3.09 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 72 Y 7.70 4.40 0.00 3.05 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 73 W 8.70 5.02 0.00 3.08 3.18 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 74 T 8.19 4.30 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 75 M 8.53 4.62 0.00 2.08 2.03 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 2.70 2.78 0.00 76 W 9.61 4.77 0.00 3.65 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 77 K 8.50 3.40 0.00 1.69 0.79 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.82 0.21 7.81 78 L 8.25 4.92 0.00 1.60 1.56 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.35 0.00 0.69 1.84 0.00 3.62 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 2.13 0.00 80 M 8.60 4.30 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 81 F 7.39 4.45 0.00 3.10 2.96 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 82 G 9.14 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 83 C 7.87 4.29 0.00 3.01 3.02 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 84 R 8.57 4.60 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 85 D 7.86 4.58 0.00 2.70 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 86 P 0.00 4.34 0.00 2.22 2.13 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.32 4.12 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 8.02 3.98 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.73 3.62 2.27 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 1.04 0.00 0.00 0.97 0.00 0.00 90 L 7.93 4.03 0.00 1.91 1.72 0.94 1.05 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 91 R 8.42 3.97 0.00 2.01 2.01 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 92 E 8.14 4.13 0.00 2.24 2.16 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 2.62 2.65 0.00 93 I 7.77 3.48 1.98 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 1.34 0.72 0.85 0.00 0.00 94 V 7.60 3.47 2.20 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 0.97 0.00 0.00 0.94 0.00 0.00 95 A 7.99 3.92 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 96 C 7.74 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 97 T 7.59 3.75 4.34 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 1.11 0.00 0.00 98 K 7.63 3.83 0.00 1.84 1.93 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.66 4.00 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 0.00 100 F 7.79 4.72 0.00 2.82 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 0.00 101 P 0.00 4.43 0.00 2.12 2.11 0.00 3.26 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 102 D 8.07 4.68 0.00 2.69 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 0.00 103 A 7.34 4.68 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 0.00 104 Y 8.50 4.20 0.00 2.55 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.98 5.27 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 1.10 0.00 0.00 0.88 0.00 0.00 106 R 9.60 5.01 0.00 1.80 1.91 0.00 2.33 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.34 0.00 107 L 8.15 4.81 0.00 1.51 0.76 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.80 4.83 1.63 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 0.51 0.00 0.00 0.53 0.00 0.00 109 A 7.99 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 9.00 5.22 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.83 5.33 0.00 2.37 2.44 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 0.00 112 N 9.16 4.71 0.00 2.93 3.05 0.00 0.00 6.33 7.39 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 0.00 113 Q 8.66 4.19 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.04 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 114 K 8.34 4.03 0.00 1.75 1.87 0.00 2.08 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 8.04 3.43 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 116 V 7.79 4.49 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 0.48 0.00 0.00 0.92 0.00 0.00 117 Q 8.74 4.33 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 118 I 8.33 4.22 1.21 0.00 0.00 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 -0.30 0.27 -0.40 0.00 0.00 119 M 6.89 4.71 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 120 G 8.26 4.75 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 0.00 0.00 0.00 121 F 7.06 5.01 0.00 3.21 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.84 4.42 0.00 1.59 1.61 0.63 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.78 4.47 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 0.71 0.00 0.00 0.91 0.00 0.00 124 Q 7.84 4.60 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 125 R 8.16 4.36 0.00 1.27 1.53 0.00 2.21 0.00 0.00 2.91 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.30 0.00 126 P 0.00 4.19 0.00 2.12 2.17 0.00 2.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 127 K 8.47 4.11 0.00 1.75 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.39 7.81 128 T 7.77 4.16 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 1.22 0.00 0.00 129 A 7.85 4.29 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 0.00 130 R 8.75 4.61 0.00 1.79 1.86 0.00 3.18 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 131 D 8.45 4.90 0.00 2.89 2.96 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 0.00 132 F 7.78 5.35 0.00 3.21 3.18 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 0.00 133 Q 8.39 4.41 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.07 0.00 0.00 0.00 0.00 0.00 2.31 2.03 0.00 134 P 0.00 4.55 0.00 2.35 2.23 0.00 3.55 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 135 A 8.83 3.96 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 0.00 136 N 8.09 4.53 0.00 2.83 2.95 0.00 0.00 5.88 7.13 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 0.00 137 K 7.79 4.44 0.00 1.63 1.71 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.30 7.81 138 R 7.52 3.60 0.00 1.63 0.66 0.00 2.98 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.43 0.00 139 S 7.53 5.11 0.00 4.08 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 0.00 140 V 8.53 3.99 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 0.62 0.00 0.00 0.96 0.00 0.00