NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2604 8.1749 112.9148 59.6790 71.0264 173.8413 3 F 4.7959 7.9414 118.6705 53.6441 41.3881 173.1351 4 I 3.9655 9.4235 120.8672 60.7813 38.5929 175.7499 5 T 4.2685 8.3294 123.5873 61.7427 67.5489 173.2629 6 K 4.3104 8.2305 127.5192 55.0176 33.1085 176.8409 7 T 4.2311 8.4181 116.4064 60.3057 69.7835 172.5988 8 P 4.3713 0.0000 0.0000 61.9804 32.2039 175.3800 9 P 4.3289 0.0000 0.0000 62.7272 33.1132 177.3668 10 A 3.9869 8.7527 122.7319 55.4628 18.1282 180.0069 11 A 3.9412 7.9972 118.6903 55.4934 18.6296 180.2039 12 V 3.5827 7.7341 116.8932 64.7105 31.5626 178.4269 13 L 4.0238 7.9503 119.9634 57.6384 41.4535 179.3228 14 L 4.0653 8.3874 119.4521 57.4464 41.4970 179.6823 15 K 3.9551 8.3138 118.8457 59.2734 31.9609 179.2678 16 K 3.8992 7.9946 119.4536 59.3597 31.9132 178.6008 17 A 3.9487 7.8206 119.5099 55.3054 18.4817 179.3374 18 A 4.0832 8.0680 117.3134 52.6223 19.3288 177.1015 19 G 3.6603 7.8205 104.5838 46.5545 0.0000 172.2832 20 I 4.7225 7.8669 110.0088 59.2083 41.2289 175.1561 21 E 4.5103 8.4747 118.3330 56.7647 30.6385 176.4193 22 S 4.5344 7.4885 110.6716 57.0473 65.2163 174.7263 23 G 3.8813 8.3453 111.5985 44.5713 0.0000 173.2008 24 S 4.2871 8.7123 114.6112 58.0412 62.7079 174.3424 25 G 3.8686 8.4941 113.7352 46.9226 0.0000 174.1304 26 E 4.5854 8.0651 119.3810 53.1272 30.4897 173.8087 27 P 4.2536 0.0000 0.0000 65.5213 31.9682 177.8338 28 N 4.4908 8.1973 113.4885 56.0400 37.7030 176.5890 29 R 3.9647 8.0957 116.7273 58.1562 30.3712 176.6474 30 N 4.7803 8.1176 118.9559 51.1594 38.3361 174.2711 31 K 4.3589 8.3447 122.8706 56.1019 32.8951 177.7299 32 V 4.3096 8.0423 121.3449 60.5258 31.9009 175.1064 33 A 4.4581 7.0600 119.0820 51.9799 22.0519 176.2410 34 T 4.8259 8.6907 111.1019 60.2220 70.8119 173.3270 35 I 4.3795 8.7003 121.7062 59.6494 40.9142 174.7829 36 K 4.7344 8.1967 121.0358 55.0366 34.1745 178.4072 37 R 3.9274 8.5922 120.6768 59.5627 29.8393 178.7913 38 D 4.2115 8.2886 118.2609 57.5045 40.5985 179.3851 39 K 3.9311 7.9452 118.1279 59.5015 32.3141 179.2777 40 V 3.5371 7.9033 117.9443 66.2915 31.0496 177.9219 41 R 3.8777 8.8238 118.8608 59.4529 29.9737 178.3453 42 E 4.0032 7.9112 118.3092 59.3827 29.3491 179.4875 43 I 3.6924 8.0717 119.8775 64.3588 37.0205 178.3707 44 A 4.1283 7.8210 119.9541 54.5766 17.8771 179.0865 45 E 4.1420 7.8355 117.3315 59.0746 29.5878 178.8139 46 L 4.0143 7.7228 119.4114 57.8455 42.4483 178.2708 47 K 4.1660 8.4795 118.1611 57.4775 32.1798 177.7901 48 M 3.9593 7.5309 117.6795 59.1550 31.7948 176.1770 49 P 4.2245 0.0000 0.0000 65.7718 31.5963 176.9391 50 D 4.6205 7.7957 114.7078 54.7814 40.9391 176.1233 51 L 4.7383 7.4976 119.8150 53.2741 43.5602 175.7824 52 N 4.8669 8.4041 116.7467 52.5446 37.6880 175.0248 53 A 4.1444 7.9286 120.6124 53.1520 19.0102 178.0430 54 A 4.6078 8.0749 121.0003 51.1000 19.8624 176.8795 55 S 4.6929 7.2783 110.8743 57.0802 65.0338 178.1495 56 I 3.6869 8.0208 122.7982 64.7422 36.8399 178.3165 57 E 4.0069 8.3223 117.5351 59.6814 28.9515 178.9635 58 A 4.0071 7.7154 120.9023 54.6279 18.4358 179.4677 59 A 3.9555 8.0359 119.4167 55.6976 18.4173 179.7879 60 M 4.0366 8.6845 117.5066 58.3814 31.9505 178.9571 61 R 4.0757 7.8694 118.3493 59.7313 30.2936 178.9165 62 M 4.0144 7.7403 118.0550 58.5972 31.9652 178.7999 63 I 3.7114 7.7337 119.8525 64.6666 37.4087 178.3966 64 E 4.1713 9.1438 119.9066 59.0222 29.0203 179.5823 65 G 3.6344 7.7855 105.4784 47.9508 0.0000 175.6883 66 T 4.0940 8.0502 117.6860 66.0632 68.3954 176.8075 67 A 4.1215 7.7802 122.4742 54.6787 18.1462 179.5239 68 R 3.8866 7.6327 116.7479 59.1098 30.2548 178.2179 69 S 4.3888 7.6099 111.7911 59.8409 63.6095 175.0139 70 M 4.6674 8.0339 119.0416 54.5433 31.6391 176.2221 71 G 3.9740 8.2058 107.8339 46.2193 0.0000 172.4369 72 I 4.8210 7.7294 119.6738 59.2640 39.2002 175.3786 73 V 4.3670 9.3043 127.1633 61.1902 33.6249 174.4206 74 V 5.4066 8.2614 126.8864 60.6718 33.6973 175.1020 75 E 4.3448 8.4242 124.9318 56.6950 30.1793 175.2039 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 T 8.17 4.26 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 1.21 0.00 0.00 3 F 7.94 4.80 0.00 3.11 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 4 I 9.42 3.97 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.51 0.94 0.00 0.00 5 T 8.33 4.27 4.26 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 1.22 0.00 0.00 6 K 8.23 4.31 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.71 7.81 7 T 8.42 4.23 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 1.21 0.00 0.00 8 P 0.00 4.37 0.00 2.06 2.03 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 9 P 0.00 4.33 0.00 2.15 1.98 0.00 3.62 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 2.11 2.16 0.00 10 A 8.75 3.99 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.00 3.94 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.73 3.58 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 0.89 0.00 0.00 0.93 0.00 0.00 13 L 7.95 4.02 0.00 1.93 1.75 0.94 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.39 4.07 0.00 1.87 1.71 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.31 3.96 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 16 K 7.99 3.90 0.00 1.85 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 17 A 7.82 3.95 1.36 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 0.00 0.00 18 A 8.07 4.08 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 19 G 7.82 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 20 I 7.87 4.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.91 0.00 0.00 21 E 8.47 4.51 0.00 1.96 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 2.23 2.21 0.00 22 S 7.49 4.53 0.00 3.92 3.78 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 23 G 8.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 4.29 0.00 3.85 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 25 G 8.49 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 0.00 0.00 0.00 26 E 8.07 4.59 0.00 2.04 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 0.00 2.21 2.29 0.00 27 P 0.00 4.25 0.00 2.03 2.26 0.00 3.68 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 2.04 2.13 0.00 28 N 8.20 4.49 0.00 2.83 2.94 0.00 0.00 6.05 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 29 R 8.10 3.96 0.00 1.82 2.02 0.00 3.17 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 30 N 8.12 4.78 0.00 2.65 2.77 0.00 0.00 7.16 7.25 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 31 K 8.34 4.36 0.00 1.72 1.74 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.38 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.60 7.81 32 V 8.04 4.31 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 0.73 0.00 0.00 0.93 0.00 0.00 33 A 7.06 4.46 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 34 T 8.69 4.83 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 1.21 0.00 0.00 35 I 8.70 4.38 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.91 0.00 0.00 36 K 8.20 4.73 0.00 1.73 1.75 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.45 7.81 37 R 8.59 3.93 0.00 1.85 1.98 0.00 3.16 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 38 D 8.29 4.21 0.00 2.68 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 39 K 7.95 3.93 0.00 1.98 1.84 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 40 V 7.90 3.54 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 1.03 0.00 0.00 0.93 0.00 0.00 41 R 8.82 3.88 0.00 2.01 2.05 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 42 E 7.91 4.00 0.00 2.12 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 2.33 2.70 0.00 43 I 8.07 3.69 2.03 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 1.45 0.82 0.91 0.00 0.00 44 A 7.82 4.13 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 45 E 7.84 4.14 0.00 2.15 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 2.31 2.65 0.00 46 L 7.72 4.01 0.00 1.64 1.69 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.48 4.17 0.00 1.97 1.81 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 48 M 7.53 3.96 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 49 P 0.00 4.22 0.00 2.09 2.10 0.00 3.80 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 2.03 2.11 0.00 50 D 7.80 4.62 0.00 2.60 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 51 L 7.50 4.74 0.00 1.77 1.57 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.40 4.87 0.00 2.80 2.87 0.00 0.00 6.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.93 4.14 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 A 8.07 4.61 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 55 S 7.28 4.69 0.00 4.14 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.02 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.66 0.91 0.00 0.00 57 E 8.32 4.01 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 2.37 2.34 0.00 58 A 7.72 4.01 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 59 A 8.04 3.96 1.35 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 60 M 8.68 4.04 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 61 R 7.87 4.08 0.00 2.09 2.00 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 62 M 7.74 4.01 0.00 2.02 2.26 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 2.62 2.58 0.00 63 I 7.73 3.71 2.00 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 1.75 1.56 0.91 0.00 0.00 64 E 9.14 4.17 0.00 2.10 1.99 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 2.33 2.51 0.00 65 G 7.79 3.63 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 0.00 0.00 0.00 66 T 8.05 4.09 4.38 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 1.21 0.00 0.00 67 A 7.78 4.12 1.36 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 0.00 0.00 68 R 7.63 3.89 0.00 1.86 2.13 0.00 3.26 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 69 S 7.61 4.39 0.00 4.11 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 70 M 8.03 4.67 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.82 0.00 71 G 8.21 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 0.00 0.00 0.00 72 I 7.73 4.82 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 0.94 0.00 0.00 73 V 9.30 4.37 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 1.01 0.00 0.00 0.93 0.00 0.00 74 V 8.26 5.41 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 1.04 0.00 0.00 0.93 0.00 0.00 75 E 8.42 4.34 0.00 1.82 1.75 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 2.20 2.30 0.00