NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.6300 8.3549 109.6490 45.5311 0.0000 172.6860 3 Y 4.6980 7.6922 118.2145 53.9719 42.1299 173.1693 4 S 4.4850 8.4460 116.2283 58.4708 64.7696 173.4134 5 S 4.6735 8.3660 113.2415 58.3508 62.9109 174.1796 6 D 4.5835 7.4261 119.4625 54.6336 41.1259 176.2835 7 T 4.3678 8.0748 111.2934 61.4792 70.0340 174.2139 8 T 4.6018 8.0060 118.1011 60.8442 71.8862 172.3006 9 P 4.4573 0.0000 0.0000 62.8609 31.9993 176.3291 10 C 5.0065 8.6381 119.1747 55.0885 43.6236 173.6587 11 C 4.9159 7.9925 118.2304 55.3760 41.9510 174.1168 12 F 4.4544 8.4206 119.1375 56.9139 40.5163 174.6673 13 A 4.3661 7.4622 121.5912 50.9981 21.8635 174.8613 14 Y 5.0712 7.8860 117.4340 55.7511 40.1047 176.0517 15 I 3.8005 8.6409 124.5889 61.1949 38.5311 175.6210 16 A 4.2208 8.8160 131.5411 54.9009 18.6563 177.3213 17 R 4.4002 7.4532 113.5211 53.4032 32.1328 174.9151 18 P 2.0000 0.0000 0.0000 62.1335 31.5433 176.3212 19 M 4.2509 7.3066 119.1684 53.0501 33.0833 174.0679 20 P 4.2480 0.0000 0.0000 62.3294 32.1423 178.0498 21 R 3.4275 8.5865 122.8694 58.9289 30.2187 178.2592 22 A 4.0510 7.7121 119.5616 54.8987 18.7610 177.7506 23 H 4.5078 8.1040 111.6174 56.9359 29.1255 174.7950 24 I 4.7734 7.2840 121.1028 60.0487 38.2418 175.5660 25 K 4.4271 9.3048 126.0273 58.6831 33.0322 176.3480 26 E 5.0371 7.8439 115.5089 56.0036 32.7563 173.0403 27 Y 5.4977 8.5006 116.8569 55.7237 41.4319 174.1856 28 F 4.5874 8.2769 113.9079 55.8872 41.8048 172.5692 29 Y 4.9427 8.5464 117.5492 56.8974 39.2675 175.8750 30 T 4.4390 8.5943 113.9378 60.9056 70.4128 174.3622 31 S 4.1633 8.7837 116.6802 58.4942 62.7383 175.3681 32 G 3.7834 8.5690 115.0496 47.4505 0.0000 174.7614 33 K 3.9875 7.9812 119.4371 59.0304 32.2523 177.2689 34 C 4.5085 7.7419 115.9285 56.7440 40.5678 174.2413 35 S 4.0430 8.5750 118.5698 60.4494 62.8750 174.2719 36 N 4.9860 7.6808 117.4680 50.2787 40.3428 172.8096 37 P 4.4357 0.0000 0.0000 63.0693 32.4138 175.1856 38 A 4.6384 8.0735 118.9436 51.3858 22.5814 175.1095 39 V 4.0980 8.0265 120.0341 61.1422 34.0689 174.8201 40 V 4.4378 8.0637 126.9020 60.9798 33.8159 174.0297 41 F 5.3835 9.1513 127.3338 56.2112 41.1909 174.8520 42 V 4.9150 9.1994 124.4506 61.5177 33.4276 175.7202 43 T 5.5184 9.0531 119.1435 59.9746 70.4711 175.9947 44 R 3.9139 8.6545 117.3886 58.7144 29.6008 177.3922 45 K 4.3424 8.0120 116.4115 56.0855 32.0095 176.1987 46 N 4.3681 8.2981 114.5345 54.0740 36.5069 174.2168 47 R 4.1718 7.9869 119.4736 56.4425 31.4813 175.4189 48 Q 4.9609 8.7871 125.1414 54.6357 30.2244 174.8593 49 V 4.4129 8.6445 125.7496 61.0340 33.6781 174.4013 50 C 5.0247 8.8762 125.5107 57.1189 40.9065 172.5200 51 A 5.0695 9.0312 123.8193 50.1518 23.1914 175.0208 52 N 3.4989 8.1343 118.3619 51.6442 38.7709 174.4203 53 P 4.1447 0.0000 0.0000 64.9442 31.6034 177.6033 54 E 4.0714 7.6529 116.4048 57.9873 30.1682 177.8096 55 K 4.0452 7.5221 119.7051 55.4048 33.6661 177.4882 56 K 3.7977 8.5634 125.1254 59.5405 32.2965 179.0522 57 W 4.2916 8.1320 116.3654 59.5784 27.7863 178.2173 58 V 2.8086 6.3859 118.3438 65.6600 30.9613 178.1751 59 R 3.9110 7.6529 117.5586 58.8883 29.8201 178.9081 60 E 4.0004 8.4000 118.8446 59.7180 29.4766 178.9003 61 Y 4.1774 8.2397 116.7010 61.1720 37.8537 178.8634 62 I 3.0885 7.7930 120.6643 64.2687 37.0923 178.0834 63 N 4.2880 8.0802 117.3229 56.5512 38.0821 177.4088 64 S 4.1171 8.2429 114.3862 61.1890 62.3121 175.7351 65 L 4.0632 7.8969 119.6932 56.1312 41.5939 178.3225 66 E 4.4767 7.9542 118.5400 58.7664 30.2750 177.9308 67 M 4.1142 8.1393 115.9367 57.4473 31.5200 176.3772 68 S 4.2650 7.5172 119.1996 58.5366 63.4985 169.6755 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 G 8.35 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 3 Y 7.69 4.70 0.00 3.01 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 4 S 8.45 4.48 0.00 4.01 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 5 S 8.37 4.67 0.00 4.02 4.01 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 6 D 7.43 4.58 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 4.37 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 1.23 0.00 0.00 8 T 8.01 4.60 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 1.20 0.00 0.00 9 P 0.00 4.46 0.00 2.32 2.17 0.00 3.72 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 2.19 2.08 0.00 10 C 8.64 5.01 0.00 2.88 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 11 C 7.99 4.92 0.00 2.76 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 12 F 8.42 4.45 0.00 2.98 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 13 A 7.46 4.37 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 14 Y 7.89 5.07 0.00 3.00 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 15 I 8.64 3.80 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 1.36 0.00 0.00 16 A 8.82 4.22 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 17 R 7.45 4.40 0.00 1.67 1.64 0.00 3.35 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 18 P 0.00 2.00 0.00 1.29 0.49 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.00 19 M 7.31 4.25 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 20 P 0.00 4.25 0.00 1.79 1.82 0.00 3.50 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 21 R 8.59 3.43 0.00 1.15 1.68 0.00 2.56 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 22 A 7.71 4.05 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 23 H 8.10 4.51 0.00 3.33 3.34 0.00 5.62 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 24 I 7.28 4.77 1.75 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.49 1.02 0.00 0.00 25 K 9.30 4.43 0.00 1.89 1.92 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.42 7.81 26 E 7.84 5.04 0.00 2.04 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 2.40 2.32 0.00 27 Y 8.50 5.50 0.00 2.70 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 28 F 8.28 4.59 0.00 3.01 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 29 Y 8.55 4.94 0.00 2.87 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 30 T 8.59 4.44 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 1.22 0.00 0.00 31 S 8.78 4.16 0.00 3.86 3.75 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 32 G 8.57 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 0.00 0.00 0.00 33 K 7.98 3.99 0.00 1.54 1.57 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.88 1.13 7.81 34 C 7.74 4.51 0.00 2.99 2.87 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 35 S 8.58 4.04 0.00 3.93 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 36 N 7.68 4.99 0.00 2.62 2.67 0.00 0.00 6.94 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 37 P 0.00 4.44 0.00 2.18 2.05 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 38 A 8.07 4.64 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 39 V 8.03 4.10 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 0.12 0.00 0.00 0.52 0.00 0.00 40 V 8.06 4.44 0.67 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 0.77 0.00 0.00 0.52 0.00 0.00 41 F 9.15 5.38 0.00 3.12 2.97 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 42 V 9.20 4.91 2.24 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 0.98 0.00 0.00 1.18 0.00 0.00 43 T 9.05 5.52 4.37 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 1.35 0.00 0.00 44 R 8.65 3.91 0.00 1.94 2.12 0.00 2.99 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 45 K 8.01 4.34 0.00 1.78 1.87 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.43 7.81 46 N 8.30 4.37 0.00 2.91 2.98 0.00 0.00 6.82 8.31 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 47 R 7.99 4.17 0.00 1.96 1.85 0.00 3.10 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 48 Q 8.79 4.96 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.50 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 49 V 8.64 4.41 2.29 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 1.03 0.00 0.00 1.04 0.00 0.00 50 C 8.88 5.02 0.00 3.11 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 51 A 9.03 5.07 1.03 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 0.00 0.00 52 N 8.13 3.50 0.00 1.94 2.27 0.00 0.00 6.98 7.71 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 53 P 0.00 4.14 0.00 2.02 2.17 0.00 3.37 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 54 E 7.65 4.07 0.00 1.82 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 2.23 2.21 0.00 55 K 7.52 4.05 0.00 1.45 1.42 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.36 7.81 56 K 8.56 3.80 0.00 1.78 1.84 0.00 1.78 0.00 0.00 2.05 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.45 7.81 57 W 8.13 4.29 0.00 3.28 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 58 V 6.39 2.81 1.67 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 0.64 0.00 0.00 -0.67 0.00 0.00 59 R 7.65 3.91 0.00 1.87 1.91 0.00 3.13 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 60 E 8.40 4.00 0.00 2.31 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 2.37 2.64 0.00 61 Y 8.24 4.18 0.00 3.16 2.85 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 62 I 7.79 3.09 1.64 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 0.20 0.25 0.56 0.00 0.00 63 N 8.08 4.29 0.00 2.92 2.89 0.00 0.00 6.71 7.71 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 64 S 8.24 4.12 0.00 3.86 4.04 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 0.00 0.00 0.00 65 L 7.90 4.06 0.00 1.83 1.93 1.18 0.86 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 66 E 7.95 4.48 0.00 2.16 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 2.57 2.63 0.00 67 M 8.14 4.11 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.79 0.00 68 S 7.52 4.26 0.00 4.15 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