NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 N 4.6369 8.5245 119.2012 53.2835 40.5093 175.5706 53 K 3.9911 8.5393 128.8414 59.3720 31.8895 178.2213 54 K 4.0416 8.5069 119.9647 59.5875 32.3079 178.8083 55 V 3.5722 7.8226 117.6196 66.0870 31.3508 178.1390 56 V 3.6731 7.9808 120.3997 66.6134 31.3977 178.3265 57 D 4.4257 8.1331 120.2376 58.4644 39.5425 180.2531 58 A 4.2239 8.3025 122.2874 55.1443 18.3629 179.8284 59 Q 4.0151 8.6017 119.5561 59.5793 28.8338 179.7299 60 K 4.0735 8.5487 125.1040 59.4657 31.8932 181.8166 61 A 4.2506 8.1215 121.5237 54.9647 18.1754 180.0486 62 V 3.6865 8.2942 119.5075 67.0079 31.7604 178.6246 63 E 4.0733 8.4834 120.5647 61.8849 29.3870 181.8134 64 L 4.2701 7.9105 122.1330 59.3992 41.0429 181.6051 65 F 4.6020 8.2099 121.7628 61.1064 39.1941 177.0126 66 K 3.9087 8.4835 120.1088 58.9329 31.9471 178.4069 67 R 4.4141 7.1274 118.6453 60.1646 30.9189 183.6253 68 T 4.2245 8.4485 115.1987 65.5114 70.2381 175.4657 69 R 3.5743 8.3671 118.1315 57.4944 27.7169 174.7476 70 T 5.1823 8.5525 108.8827 59.0450 73.9781 175.0228 71 V 3.5953 8.3137 119.9504 66.1022 31.0999 177.7405 72 A 4.0094 8.0339 120.3211 55.4853 18.2542 179.5658 73 T 3.9693 8.1198 108.2666 64.9028 68.9316 176.5982 74 H 2.5800 8.5159 121.3501 58.5116 29.8413 177.1145 75 R 3.7041 8.1481 122.7860 59.9636 29.9379 179.7725 76 K 3.9004 7.5526 121.6343 59.6083 31.6410 180.6775 77 A 4.1159 7.6748 122.4018 55.0746 18.0926 179.5161 78 Q 3.8026 7.8351 116.9149 59.1988 29.3832 178.2231 79 R 3.9367 7.9254 119.4362 59.2618 30.2860 178.0066 80 A 3.9478 8.4301 120.9494 55.5584 18.0918 179.9196 81 V 3.6047 8.0541 116.4370 65.9905 31.2873 177.7467 82 N 4.2694 7.9015 115.3521 55.4504 38.5614 176.6398 83 L 4.4129 7.5535 118.2382 55.2452 41.7201 177.8092 84 I 4.0452 7.1681 120.5877 60.6265 35.4111 175.9299 85 H 4.3108 8.5490 122.7272 58.6077 29.0347 175.9153 86 F 4.2473 7.7416 119.1507 57.8550 37.4533 175.2375 87 Q 3.9515 8.0613 126.7947 58.5101 28.6946 177.5524 88 H 4.6605 6.7073 112.4988 55.5827 29.3647 175.5466 89 S 4.4660 8.2840 116.4834 58.6594 62.9832 174.0511 90 Y 4.1322 8.8956 130.2048 60.8788 38.7415 177.5655 91 E 3.9490 8.3724 119.1596 59.3079 29.5651 178.6765 92 K 3.8699 7.7432 118.8916 59.5989 31.8282 178.9254 93 K 4.0012 8.0288 118.2657 59.2353 32.0559 178.8352 94 K 3.8151 7.9362 121.6924 59.0956 32.0153 178.6690 95 L 4.0776 8.4192 119.7880 57.6497 41.4863 179.2334 96 Q 3.9550 8.1784 119.7104 58.9877 29.0561 178.0710 97 R 3.8792 7.6305 119.0870 59.7324 29.5695 178.4676 98 Q 4.0552 7.7620 116.4117 58.9365 28.7723 178.9615 99 I 3.9827 7.5321 120.8851 64.7720 37.2906 178.0392 100 D 4.4292 8.2533 119.5719 57.4501 40.3632 179.2382 101 L 3.8742 7.6359 118.3655 57.8216 42.0206 179.0916 102 V 3.6545 7.3678 117.0452 66.2784 31.1239 177.6405 103 L 4.0474 7.7739 119.4817 58.7561 41.7010 180.2075 104 K 4.1284 7.8436 120.8734 58.0709 31.7613 178.8538 105 Y 5.2168 7.5856 112.6675 58.2276 39.0279 174.8324 106 N 5.0510 7.9161 115.8135 52.0141 42.6438 174.5315 107 T 4.4331 8.1446 117.2277 61.1604 68.6933 173.9841 108 L 4.1262 8.6218 127.8566 56.8361 42.4179 178.6640 109 K 4.2139 8.5978 122.4750 55.2162 32.0547 173.8006 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 52 N 8.52 4.64 0.00 2.65 2.78 0.00 0.00 6.91 5.80 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 53 K 8.54 3.99 0.00 1.89 1.79 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.16 7.81 54 K 8.51 4.04 0.00 1.75 1.89 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.45 7.81 55 V 7.82 3.57 2.26 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 1.14 0.00 0.00 0.96 0.00 0.00 56 V 7.98 3.67 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 0.95 0.00 0.00 0.98 0.00 0.00 57 D 8.13 4.43 0.00 2.72 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 58 A 8.30 4.22 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 59 Q 8.60 4.02 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 60 K 8.55 4.07 0.00 1.72 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 61 A 8.12 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.29 3.69 2.18 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 1.14 0.00 0.00 1.03 0.00 0.00 63 E 8.48 4.07 0.00 2.02 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 2.25 2.21 0.00 64 L 7.91 4.27 0.00 1.67 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.21 4.60 0.00 3.21 3.31 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 66 K 8.48 3.91 0.00 1.90 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.36 7.81 67 R 7.13 4.41 0.00 2.07 1.79 0.00 3.31 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 68 T 8.45 4.22 4.35 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 1.26 0.00 0.00 69 R 8.37 3.57 0.00 1.94 1.89 0.00 3.10 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.37 0.00 70 T 8.55 5.18 4.31 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 1.27 0.00 0.00 71 V 8.31 3.60 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 1.07 0.00 0.00 0.97 0.00 0.00 72 A 8.03 4.01 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 T 8.12 3.97 4.47 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 1.30 0.00 0.00 74 H 8.52 2.58 0.00 2.35 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.15 3.70 0.00 1.89 1.88 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.82 0.00 76 K 7.55 3.90 0.00 1.80 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 77 A 7.67 4.12 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 78 Q 7.84 3.80 0.00 1.79 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 79 R 7.93 3.94 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 80 A 8.43 3.95 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 81 V 8.05 3.60 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 1.05 0.00 0.00 0.99 0.00 0.00 82 N 7.90 4.27 0.00 2.88 2.85 0.00 0.00 7.05 7.65 0.00 0.00 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 L 7.55 4.41 0.00 1.73 1.64 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.17 4.05 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.01 0.98 0.00 0.00 85 H 8.55 4.31 0.00 3.20 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 7.74 4.25 0.00 3.15 3.06 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 0.00 0.00 0.00 87 Q 8.06 3.95 0.00 1.71 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 88 H 6.71 4.66 0.00 2.85 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.28 4.47 0.00 4.32 3.91 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 90 Y 8.90 4.13 0.00 3.16 3.04 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 91 E 8.37 3.95 0.00 2.07 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 2.49 2.36 0.00 92 K 7.74 3.87 0.00 1.91 2.05 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.23 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 93 K 8.03 4.00 0.00 1.93 1.99 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 0.93 7.81 94 K 7.94 3.82 0.00 1.56 1.84 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.40 7.81 95 L 8.42 4.08 0.00 1.94 1.71 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.18 3.95 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 97 R 7.63 3.88 0.00 1.90 2.07 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 98 Q 7.76 4.06 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 99 I 7.53 3.98 2.10 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 1.26 1.07 0.00 0.00 100 D 8.25 4.43 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 3.87 0.00 1.85 1.86 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.37 3.65 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 0.51 0.00 0.00 0.75 0.00 0.00 103 L 7.77 4.05 0.00 1.84 1.72 0.88 0.61 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 0.00 104 K 7.84 4.13 0.00 1.87 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.34 7.81 105 Y 7.59 5.22 0.00 2.95 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 0.00 106 N 7.92 5.05 0.00 2.78 2.64 0.00 0.00 6.88 7.54 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 0.00 107 T 8.14 4.43 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 0.00 108 L 8.62 4.13 0.00 1.71 1.71 1.14 1.22 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 0.00 109 K 8.60 4.21 0.00 1.88 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.23 7.81