NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5255 8.3249 119.4195 57.2376 40.0046 174.2699 2 K 4.3265 8.5969 125.2468 54.3226 33.8837 175.1278 3 D 4.8404 8.0209 125.6086 52.6050 43.5188 171.8425 4 P 4.0518 0.0000 0.0000 64.9024 31.1941 177.8934 5 N 4.3520 8.5391 115.5447 54.4519 39.2389 176.3195 6 A 4.0808 6.9048 123.0356 52.0030 15.9929 176.3323 7 P 4.7740 0.0000 0.0000 62.2069 33.2514 175.9598 8 K 4.5758 8.9107 118.0607 55.0969 33.9376 175.4632 9 R 3.8529 8.5171 123.8844 53.8966 30.9509 174.9117 10 P 4.4972 0.0000 0.0000 61.5919 32.8553 174.9710 11 P 4.4053 0.0000 0.0000 62.8824 32.3458 175.3732 12 S 4.5568 8.2276 113.4983 57.3013 64.5581 174.1765 13 A 4.0892 8.1173 122.5778 55.3891 17.7473 179.1709 14 F 2.3000 7.5086 117.0002 59.1479 39.2920 177.0978 15 F 3.8228 7.8297 119.8561 61.7996 39.1411 177.0391 16 L 4.0955 7.8004 116.9498 57.1787 41.5875 178.5688 17 F 4.1449 7.2626 119.2828 60.4691 39.4155 176.4953 18 C 3.6113 7.4123 118.3746 62.3041 30.9485 175.3305 19 S 3.8766 7.1987 114.4355 61.4176 61.8940 176.0751 20 E 3.8937 7.5697 120.5035 58.9816 29.6375 177.4275 21 Y 4.2290 7.2392 113.8697 58.0132 38.6389 177.0217 22 R 4.1466 8.1299 123.9643 58.0083 30.4203 176.4690 23 P 4.3319 0.0000 0.0000 65.1308 31.7784 178.3784 24 K 3.8713 7.8715 118.1797 59.3522 32.0505 178.9790 25 I 3.7315 7.6046 112.5873 64.1324 37.6522 177.7583 26 K 4.1663 7.2546 122.5011 57.8069 31.8984 178.6506 27 G 3.7574 8.1175 105.6766 47.8291 0.0000 175.1631 28 E 4.3137 7.8826 118.3589 56.7178 30.9095 177.1453 29 H 4.8648 8.2317 116.5154 53.4660 29.6132 172.3123 30 P 4.9445 0.0000 0.0000 60.2607 29.0458 176.9478 31 G 4.2641 7.4533 127.0700 46.6211 0.0000 170.6930 32 L 4.3464 7.4678 119.2990 54.0633 43.0253 177.5604 33 S 4.6914 8.2262 116.4008 57.4039 65.7272 175.5140 34 I 3.7864 8.5667 125.8765 64.7743 36.7960 178.9614 35 G 3.5393 7.9956 105.8100 47.8476 0.0000 175.0946 36 D 4.3397 8.0555 120.8305 56.9743 41.3017 177.8949 37 V 3.5660 8.1782 118.7440 66.3897 31.4655 177.9159 38 A 4.3366 8.1880 119.9287 54.8820 18.2249 179.9359 39 K 3.9373 8.6063 117.6103 59.6898 32.1821 179.4295 40 K 3.9137 8.5310 119.0281 59.8664 32.0260 179.3842 41 L 4.3160 8.2950 119.1108 57.7384 41.5681 179.7870 42 G 3.9691 8.6989 106.1656 47.4335 0.0000 175.8254 43 E 3.9841 8.8224 121.2597 59.6428 29.6231 179.0226 44 M 4.0346 8.3170 118.8492 58.1278 31.8425 178.3478 45 W 3.7277 8.2581 127.3336 60.7337 30.8442 177.0663 46 N 4.2461 7.9885 114.7580 56.7464 38.0957 176.7481 47 N 4.5553 7.9939 116.3311 54.5524 38.8454 175.9403 48 T 3.6935 7.5958 117.6153 63.3646 69.0264 173.7723 49 A 3.9092 8.6664 128.8130 52.5148 19.2043 177.8496 50 A 3.8529 8.6432 122.7945 55.5122 18.2811 180.2207 51 D 4.2999 8.0275 115.3023 56.9930 40.9481 177.6047 52 D 4.5919 7.8282 117.0013 55.6346 41.6890 177.6690 53 K 4.3257 8.0297 118.3766 58.2529 32.0647 178.5695 54 Q 4.0323 8.1828 118.8379 58.8883 28.6086 176.9546 55 P 4.1673 0.0000 0.0000 66.0819 31.3247 178.2775 56 Y 4.2618 7.9181 114.7759 61.2427 38.0612 178.1093 57 E 4.1959 8.7460 118.6761 59.1871 29.6150 179.1467 58 K 3.9437 8.9130 121.1665 59.1038 32.2765 178.6039 59 K 3.8902 8.5165 120.1385 59.7134 32.1985 178.5184 60 A 4.0582 8.1861 120.6723 55.2200 18.0072 179.4822 61 A 4.0494 8.0835 119.2778 54.9638 18.5169 180.0454 62 K 4.0236 8.1656 117.5631 59.6339 32.2204 179.5610 63 L 4.2139 7.8576 119.1992 58.0298 40.3164 179.1473 64 K 3.9725 7.9364 121.3525 59.5982 31.9558 178.3448 65 E 4.0037 7.7003 117.4910 59.4688 29.4739 179.0597 66 K 4.1440 7.5301 117.4326 60.3099 32.5074 177.3634 67 Y 4.1392 8.5732 120.3246 59.7705 38.6553 176.9420 68 E 3.8724 8.7892 120.8661 58.3416 30.1016 179.2460 69 K 3.9908 8.0162 120.1286 59.1102 32.6638 177.3241 70 D 4.8035 7.7789 116.9899 55.0633 42.7180 178.2984 71 I 3.6981 7.6348 119.6608 63.8550 36.6666 177.6699 72 A 3.9424 7.2606 120.1802 55.5425 18.2108 179.3270 73 A 4.0882 7.7221 117.3176 56.4529 18.9395 178.9423 74 Y 4.6650 8.5301 124.1168 56.6313 38.4556 176.0242 75 R 3.7817 7.8681 115.5142 56.7135 29.6049 175.9645 76 A 4.3538 7.9423 123.9513 51.3524 22.0231 175.8890 77 K 4.1140 8.7682 116.2006 57.5989 32.4598 176.7426 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 F 8.32 4.53 0.00 3.04 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 2 K 8.60 4.33 0.00 1.82 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.52 7.81 3 D 8.02 4.84 0.00 2.64 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 4 P 0.00 4.05 0.00 1.98 1.91 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 1.55 1.87 0.00 5 N 8.54 4.35 0.00 1.81 2.72 0.00 0.00 6.74 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 6 A 6.90 4.08 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 7 P 0.00 4.77 0.00 2.32 2.03 0.00 4.03 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 8 K 8.91 4.58 0.00 1.86 1.81 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.49 7.81 9 R 8.52 3.85 0.00 1.73 1.74 0.00 3.24 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 10 P 0.00 4.50 0.00 2.09 1.97 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 11 P 0.00 4.41 0.00 1.81 1.43 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 12 S 8.23 4.56 0.00 4.05 3.84 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 13 A 8.12 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 14 F 7.51 2.30 0.00 1.51 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 0.00 0.00 0.00 15 F 7.83 3.82 0.00 3.21 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 16 L 7.80 4.10 0.00 2.04 1.98 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.26 4.14 0.00 2.14 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 0.00 0.00 0.00 0.00 18 C 7.41 3.61 0.00 2.33 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 0.00 0.00 0.00 0.00 19 S 7.20 3.88 0.00 3.60 3.73 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 0.00 0.00 0.00 20 E 7.57 3.89 0.00 1.91 1.92 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 2.12 1.49 0.00 21 Y 7.24 4.23 0.00 2.32 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 22 R 8.13 4.15 0.00 1.67 1.76 0.00 2.92 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 23 P 0.00 4.33 0.00 2.23 2.22 0.00 3.67 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 1.93 2.00 0.00 24 K 7.87 3.87 0.00 1.78 1.88 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.18 7.81 25 I 7.60 3.73 1.87 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 1.59 0.93 0.94 0.00 0.00 26 K 7.25 4.17 0.00 1.82 1.96 0.00 1.74 0.00 0.00 1.57 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.39 7.81 27 G 8.12 3.76 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 0.00 0.00 0.00 28 E 7.88 4.31 0.00 2.16 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 2.35 2.51 0.00 29 H 8.23 4.86 0.00 3.28 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.94 0.00 2.17 2.09 0.00 3.83 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 1.98 1.95 0.00 31 G 7.45 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 0.00 0.00 0.00 0.00 32 L 7.47 4.35 0.00 1.66 1.62 0.91 0.96 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 33 S 8.23 4.69 0.00 3.87 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 34 I 8.57 3.79 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.03 0.95 0.00 0.00 35 G 8.00 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 36 D 8.06 4.34 0.00 2.73 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 37 V 8.18 3.57 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 0.91 0.00 0.00 0.99 0.00 0.00 38 A 8.19 4.34 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 39 K 8.61 3.94 0.00 2.00 1.89 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.53 7.81 40 K 8.53 3.91 0.00 1.95 1.92 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.75 7.81 41 L 8.29 4.32 0.00 2.08 1.63 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.70 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 43 E 8.82 3.98 0.00 2.26 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 2.47 2.51 0.00 44 M 8.32 4.03 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 45 W 8.26 3.73 0.00 2.60 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 46 N 7.99 4.25 0.00 3.02 2.87 0.00 0.00 7.20 8.02 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 47 N 7.99 4.56 0.00 2.82 2.84 0.00 0.00 7.02 7.21 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 48 T 7.60 3.69 3.89 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 1.22 0.00 0.00 49 A 8.67 3.91 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 50 A 8.64 3.85 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 51 D 8.03 4.30 0.00 2.64 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 52 D 7.83 4.59 0.00 2.68 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 53 K 8.03 4.33 0.00 1.86 1.69 0.00 1.28 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.34 1.27 7.81 54 Q 8.18 4.03 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 55 P 0.00 4.17 0.00 1.71 1.97 0.00 3.61 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 2.16 2.15 0.00 56 Y 7.92 4.26 0.00 3.57 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 57 E 8.75 4.20 0.00 2.36 2.39 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 2.37 2.71 0.00 58 K 8.91 3.94 0.00 1.97 2.02 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.51 7.81 59 K 8.52 3.89 0.00 2.04 1.97 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.49 7.81 60 A 8.19 4.06 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 61 A 8.08 4.05 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 62 K 8.17 4.02 0.00 2.00 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.61 7.81 63 L 7.86 4.21 0.00 1.94 1.97 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.94 3.97 0.00 2.09 2.02 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.52 7.81 65 E 7.70 4.00 0.00 2.18 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 2.38 2.51 0.00 66 K 7.53 4.14 0.00 1.91 2.08 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.63 7.81 67 Y 8.57 4.14 0.00 3.12 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 68 E 8.79 3.87 0.00 2.15 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 2.51 2.60 0.00 69 K 8.02 3.99 0.00 1.94 1.92 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 70 D 7.78 4.80 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.70 1.55 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.36 0.73 0.00 0.00 72 A 7.26 3.94 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 73 A 7.72 4.09 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 74 Y 8.53 4.66 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 75 R 7.87 3.78 0.00 1.74 1.37 0.00 2.38 0.00 0.00 3.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.45 0.00 76 A 7.94 4.35 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 77 K 8.77 4.11 0.00 1.88 1.82 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81