NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8638 8.3544 109.7332 45.9420 0.0000 171.6883 2 S 4.0703 7.3130 126.4467 57.8763 68.0318 175.3292 3 H 4.6913 8.8256 128.2088 54.9738 28.4374 174.7088 4 T 4.6482 7.9506 120.0971 61.5415 70.7890 174.4149 5 S 4.7521 8.1545 117.1329 55.7546 65.8211 173.2924 6 P 4.4797 0.0000 0.0000 62.3393 32.8751 174.5996 7 D 4.5316 8.5326 119.8383 53.9436 40.5651 177.0829 8 V 3.9076 8.1295 125.5957 60.4772 30.5587 174.6934 9 D 4.6800 8.1277 127.5168 53.1023 39.9868 177.3472 10 L 4.0336 8.3356 126.2479 58.0351 41.0664 179.4680 11 G 3.5115 8.0378 106.2364 46.8748 0.0000 174.2291 12 D 4.7035 7.9751 118.7528 56.1117 42.1812 178.0414 13 I 3.8385 7.7225 112.4120 64.9815 37.7354 177.3724 14 S 4.2179 8.0123 117.4300 56.0534 62.2503 175.4006 15 G 4.0060 7.8730 112.1212 46.5434 0.0000 174.2861 16 I 4.1350 7.1699 112.7473 61.6757 38.1998 177.1193 17 N 4.1624 8.2613 119.1311 57.1051 38.7640 176.2849 18 A 4.0566 7.9895 121.0996 55.1518 18.4632 179.6812 19 S 4.0968 7.8569 113.5025 61.4949 63.0449 176.6028 20 V 3.5442 8.2430 121.4118 66.1652 31.2740 178.2854 21 V 3.6065 7.6119 117.3124 65.9210 31.3495 177.6797 22 N 4.2995 8.0248 115.7832 56.4953 38.4759 177.2285 23 I 3.8592 8.2709 120.2568 63.9359 38.0319 177.6451 24 Q 3.8959 8.1656 120.4913 59.2172 28.7898 178.3693 25 K 4.0258 7.9599 118.8316 58.9128 32.4214 178.2308 26 E 4.0389 8.0909 120.0474 59.3028 29.5021 178.3761 27 I 3.6601 7.7085 118.6644 64.3769 38.0315 177.3083 28 D 4.0985 7.9697 119.1122 57.5737 40.7244 178.9886 29 R 3.9273 8.0519 119.1121 59.2227 30.0153 178.6026 30 L 4.0372 7.6729 118.3857 57.4121 41.9033 178.2540 31 N 4.2166 9.0405 118.2747 57.1823 38.8043 176.7560 32 E 4.0552 8.3159 119.8097 59.0718 29.5119 179.6121 33 V 3.6095 7.6384 118.8778 64.8972 31.2517 178.4137 34 A 4.0245 8.7459 121.7751 54.4648 18.1533 179.7451 35 K 4.0332 7.7804 116.7514 59.7776 32.0545 179.0374 36 N 4.3225 8.2927 117.2222 56.5090 38.9594 176.8836 37 L 3.9550 7.9561 120.4352 57.9352 41.5665 178.8519 38 N 4.2874 8.8120 116.7120 56.6618 38.9936 176.1574 39 E 4.0409 8.0455 120.6341 59.5590 29.7106 178.8712 40 S 4.2992 7.8715 115.0088 61.8185 62.8804 176.9013 41 L 4.1165 7.8558 121.2121 57.2723 41.4149 179.3845 42 I 3.7998 8.2801 113.8508 63.8497 37.3989 177.9411 43 D 4.3320 7.8367 120.9358 57.2257 40.8100 178.4799 44 L 4.0033 8.0031 119.6548 59.2965 39.8979 179.1939 45 Q 4.0103 7.7918 117.9579 58.6862 28.8741 177.8348 46 E 4.2243 8.0557 119.5337 58.4669 29.5108 178.3755 47 L 3.9570 8.6944 119.7746 57.3138 41.8321 178.6110 48 G 4.0088 7.8791 104.3023 45.1726 0.0000 173.8743 49 K 4.2125 7.4531 120.2167 56.2873 33.5506 176.3607 50 Y 4.3971 7.7376 118.0650 59.0886 40.3227 177.8554 51 E 4.0944 8.5649 118.5136 59.1674 29.3667 177.5273 52 Q 4.5239 7.7205 115.1664 55.9873 28.8164 176.8578 53 Y 3.5349 8.4628 122.3459 60.3629 38.8949 176.7639 54 I 4.0273 7.1742 114.0148 60.4644 38.2891 176.0545 55 K 4.0940 8.3143 122.6356 57.1940 32.2915 175.7026 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 G 8.35 3.86 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 0.00 0.00 0.00 2 S 7.31 4.07 0.00 3.77 3.53 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 3 H 8.83 4.69 0.00 3.33 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.95 4.65 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 5 S 8.15 4.75 0.00 3.92 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 6 P 0.00 4.48 0.00 2.20 2.15 0.00 3.76 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 1.98 1.98 0.00 7 D 8.53 4.53 0.00 2.69 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 8 V 8.13 3.91 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 9 D 8.13 4.68 0.00 2.72 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 10 L 8.34 4.03 0.00 1.87 1.92 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.04 3.51 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 0.00 12 D 7.98 4.70 0.00 2.64 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 13 I 7.72 3.84 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 1.62 0.53 0.93 0.00 0.00 14 S 8.01 4.22 0.00 3.99 3.80 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 15 G 7.87 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 0.00 0.00 0.00 16 I 7.17 4.14 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 0.85 0.94 0.00 0.00 17 N 8.26 4.16 0.00 2.85 2.88 0.00 0.00 7.11 8.54 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 18 A 7.99 4.06 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 19 S 7.86 4.10 0.00 4.07 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 20 V 8.24 3.54 2.19 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 0.99 0.00 0.00 0.95 0.00 0.00 21 V 7.61 3.61 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 0.97 0.00 0.00 0.96 0.00 0.00 22 N 8.02 4.30 0.00 3.07 2.85 0.00 0.00 6.66 6.78 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 23 I 8.27 3.86 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 1.22 1.00 0.00 0.00 24 Q 8.17 3.90 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 25 K 7.96 4.03 0.00 1.80 1.96 0.00 2.06 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.59 7.81 26 E 8.09 4.04 0.00 2.30 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 2.30 2.31 0.00 27 I 7.71 3.66 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 1.52 1.18 0.99 0.00 0.00 28 D 7.97 4.10 0.00 2.98 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 29 R 8.05 3.93 0.00 2.08 1.91 0.00 3.08 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 L 7.67 4.04 0.00 1.85 1.69 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 N 9.04 4.22 0.00 2.81 2.83 0.00 0.00 7.25 7.53 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 32 E 8.32 4.06 0.00 2.18 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 2.31 0.00 33 V 7.64 3.61 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 0.83 0.00 0.00 0.93 0.00 0.00 34 A 8.75 4.02 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 35 K 7.78 4.03 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 36 N 8.29 4.32 0.00 2.76 2.81 0.00 0.00 7.30 6.27 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 37 L 7.96 3.96 0.00 1.87 1.70 0.92 0.36 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 38 N 8.81 4.29 0.00 2.83 2.96 0.00 0.00 7.25 7.53 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 39 E 8.05 4.04 0.00 2.32 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 0.00 2.31 2.35 0.00 40 S 7.87 4.30 0.00 3.96 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 41 L 7.86 4.12 0.00 1.81 1.72 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.28 3.80 1.88 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 1.50 0.59 0.96 0.00 0.00 43 D 7.84 4.33 0.00 2.93 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 44 L 8.00 4.00 0.00 1.92 1.96 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.79 4.01 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 46 E 8.06 4.22 0.00 2.08 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 2.33 2.38 0.00 47 L 8.69 3.96 0.00 1.91 1.73 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.88 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 0.00 0.00 0.00 49 K 7.45 4.21 0.00 1.92 1.94 0.00 1.93 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.56 7.81 50 Y 7.74 4.40 0.00 3.07 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 51 E 8.56 4.09 0.00 2.27 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 0.00 2.39 2.31 0.00 52 Q 7.72 4.52 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 53 Y 8.46 3.53 0.00 2.63 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 54 I 7.17 4.03 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 1.00 0.00 0.00 55 K 8.31 4.09 0.00 1.73 1.65 0.00 1.42 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.11 1.48 7.81