NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 58 N 4.7495 8.4093 118.1326 53.0854 40.8134 174.7905 59 R 4.0736 7.8162 113.0691 54.9548 30.6064 174.1786 60 I 4.3685 8.7913 121.7473 58.8139 39.2166 175.3203 61 P 4.4062 0.0000 0.0000 63.1165 31.6714 176.5479 62 L 4.3771 8.4891 119.8616 55.4955 42.5105 177.3678 63 G 4.2049 7.8465 107.1060 44.0458 0.0000 173.8195 64 C 4.0912 8.3450 116.0936 57.7933 31.6182 175.0396 65 T 3.9139 8.3421 112.8894 64.9885 67.9196 176.8174 66 I 3.6567 7.6379 122.2472 64.3059 37.1750 177.7264 67 C 4.1885 8.0845 116.8730 63.1327 28.0756 176.3478 68 R 3.9370 7.6366 118.2386 59.2889 29.4237 179.3832 69 K 4.0538 7.8812 117.1447 59.3699 32.2200 179.0663 70 R 4.1514 8.9742 115.4904 55.7871 30.0693 176.4589 71 K 3.8128 7.4658 116.8928 57.4156 30.3997 174.9435 72 V 4.2345 7.5820 110.9477 59.4439 33.9820 175.2001 73 K 4.3084 8.2437 121.9256 55.2242 32.2840 175.6438 74 C 4.3631 8.5531 127.2685 59.3822 32.1172 172.7233 75 D 4.6090 8.7180 123.9740 52.6913 39.6897 176.3863 76 K 4.4278 8.2952 116.5157 56.0787 29.9668 174.8120 77 L 4.2350 7.7725 119.3878 55.2861 42.5548 176.3859 78 R 4.9085 7.9696 119.8716 53.8281 33.8343 174.2283 79 P 4.4740 0.0000 0.0000 64.6016 31.7098 176.4672 80 H 5.0237 7.8149 114.9504 52.9109 32.1792 173.5920 81 C 4.5432 8.5931 119.2324 57.9903 31.5193 174.3253 82 Q 3.9967 9.1971 123.1401 59.6929 28.2720 178.3615 83 Q 3.9170 8.8219 120.7840 59.9517 28.5604 179.0845 84 C 4.0189 7.9151 117.1288 62.9369 28.1343 176.2365 85 T 3.9503 8.1990 117.9293 66.3027 67.8018 176.6743 86 K 3.9022 7.5373 121.2697 58.9817 32.3837 177.2495 87 T 4.3453 7.7141 106.5767 60.7067 68.9571 176.5875 88 G 4.0000 8.1903 110.5724 46.6589 0.0000 175.4984 89 V 4.1499 7.4610 112.8302 61.5469 31.6724 177.7153 90 A 3.9569 7.9001 127.1746 55.7017 18.0890 180.4362 91 H 4.2478 8.3815 108.9633 57.5518 28.5242 175.7816 92 L 4.3019 7.7968 119.0991 54.9825 42.5885 176.2291 93 C 4.1321 7.6792 120.2257 59.9156 32.0219 172.5072 94 H 4.8670 8.4700 125.0081 54.7822 33.5517 170.9790 95 Y 4.8790 8.2512 122.7267 56.3304 39.8287 175.4706 96 M 4.4393 8.7650 123.8527 55.5983 32.7165 176.0030 97 E 4.6439 8.6675 118.6202 56.1217 31.7503 175.1910 98 Q 4.6009 7.6396 116.0661 53.4421 33.0964 174.7776 99 T 4.3530 8.5373 109.5405 60.9597 70.9940 175.2712 100 W 4.0886 8.8403 130.2985 60.7511 30.5420 177.7384 101 A 3.8279 8.3232 120.0057 55.1400 17.9234 179.2937 102 E 3.8412 8.0640 116.7595 59.5000 29.6405 179.1682 103 E 3.7914 8.1350 119.0571 59.0888 29.7709 178.6411 104 A 3.4907 7.7350 121.0085 55.0433 18.2670 179.2612 105 E 3.8184 8.2551 118.1113 59.2113 29.5757 179.1505 106 K 3.9180 7.9208 118.6233 59.5662 32.0589 179.2177 107 E 3.8946 8.0116 118.6056 59.0155 29.1397 179.2411 108 L 3.8983 7.6442 120.3621 58.1035 42.1708 179.0402 109 L 3.9745 8.0455 119.0744 57.4800 41.4796 179.2544 110 K 3.8495 8.2400 119.8239 59.7197 32.1402 178.4026 111 D 4.3335 8.2516 119.1731 57.5749 40.6650 178.4849 112 N 4.3485 7.9063 117.2660 56.3523 38.8107 176.7072 113 E 3.8924 8.0811 121.0529 58.9534 29.7492 178.2097 114 L 3.8957 8.0045 120.5538 58.1945 42.2260 178.8426 115 K 3.8878 8.0691 119.2507 59.5433 32.1107 178.8575 116 K 3.9888 7.8675 118.3519 59.3171 31.9736 179.1062 117 L 3.9307 8.0965 119.3707 57.9890 41.5396 179.5011 118 R 3.8959 8.0592 117.7122 59.5993 30.0190 178.6739 119 E 3.9156 7.9745 117.3491 59.6107 29.5632 179.1628 120 R 3.8471 8.3868 118.8525 59.8663 30.0401 178.6610 121 V 3.6217 8.3085 117.9598 65.8933 31.5317 178.1905 122 K 4.0591 8.3147 118.5375 59.2837 31.8933 179.3228 123 S 4.0549 8.3062 113.6002 61.5529 62.4375 176.3102 124 L 4.0215 7.9965 121.5801 57.4282 41.0202 178.9549 125 E 3.8975 8.2581 119.1626 59.5324 29.6234 178.3720 126 K 3.9293 8.0368 117.9333 59.8672 32.2965 178.2385 127 T 4.0053 7.7032 115.5742 66.7390 68.6387 174.2197 128 L 4.2640 7.8698 125.0179 55.3460 42.3020 176.1640 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 58 N 8.41 4.75 0.00 2.75 2.97 0.00 0.00 6.96 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 59 R 7.82 4.07 0.00 2.01 1.94 0.00 3.01 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 I 8.79 4.37 1.89 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 1.45 0.67 0.99 0.00 0.00 61 P 0.00 4.41 0.00 2.10 2.05 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 62 L 8.49 4.38 0.00 1.65 1.71 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.85 4.20 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 0.00 0.00 0.00 64 C 8.35 4.09 0.00 2.70 2.17 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 65 T 8.34 3.91 4.27 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 1.31 0.00 0.00 66 I 7.64 3.66 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.04 0.89 0.00 0.00 67 C 8.08 4.19 0.00 3.10 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 R 7.64 3.94 0.00 2.08 1.99 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 69 K 7.88 4.05 0.00 1.88 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.73 7.81 70 R 8.97 4.15 0.00 1.98 1.97 0.00 3.30 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 71 K 7.47 3.81 0.00 1.88 1.84 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.54 7.81 72 V 7.58 4.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.93 0.00 0.00 73 K 8.24 4.31 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.42 7.81 74 C 8.55 4.36 0.00 3.01 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 75 D 8.72 4.61 0.00 2.85 2.78 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 76 K 8.30 4.43 0.00 1.90 1.85 0.00 1.81 0.00 0.00 2.28 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.43 7.81 77 L 7.77 4.23 0.00 1.91 1.64 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.97 4.91 0.00 1.72 1.72 0.00 3.30 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.34 0.00 79 P 0.00 4.47 0.00 1.82 2.03 0.00 3.61 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 2.00 2.08 0.00 80 H 7.81 5.02 0.00 3.13 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.59 4.54 0.00 3.39 3.21 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 82 Q 9.20 4.00 0.00 2.47 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 83 Q 8.82 3.92 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 84 C 7.92 4.02 0.00 3.18 2.94 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 85 T 8.20 3.95 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 1.23 0.00 0.00 86 K 7.54 3.90 0.00 1.66 2.02 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.40 7.81 87 T 7.71 4.35 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 88 G 8.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.46 4.15 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 0.74 0.00 0.00 0.95 0.00 0.00 90 A 7.90 3.96 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 91 H 8.38 4.25 0.00 3.26 3.38 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.80 4.30 0.00 1.63 1.64 0.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.68 4.13 0.00 2.96 2.98 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 94 H 8.47 4.87 0.00 3.19 3.01 0.00 5.90 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.25 4.88 0.00 2.98 2.78 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 96 M 8.76 4.44 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.91 0.00 97 E 8.67 4.64 0.00 1.93 1.95 0.00 0.00 0.00 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 2.46 0.00 98 Q 7.64 4.60 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 99 T 8.54 4.35 4.34 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 1.31 0.00 0.00 100 W 8.84 4.09 0.00 3.45 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 3.83 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.06 3.84 0.00 2.05 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 2.33 0.00 103 E 8.13 3.79 0.00 2.10 1.89 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 2.17 2.26 0.00 104 A 7.74 3.49 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.26 3.82 0.00 2.00 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 2.27 2.35 0.00 106 K 7.92 3.92 0.00 1.94 1.79 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 107 E 8.01 3.89 0.00 2.03 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 2.22 2.36 0.00 108 L 7.64 3.90 0.00 1.96 1.69 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.05 3.97 0.00 1.98 1.67 0.94 0.47 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 0.00 110 K 8.24 3.85 0.00 2.01 1.85 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.47 7.81 111 D 8.25 4.33 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 7.91 4.35 0.00 2.89 2.95 0.00 0.00 6.88 8.79 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 0.00 113 E 8.08 3.89 0.00 2.08 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 2.29 2.30 0.00 114 L 8.00 3.90 0.00 1.93 1.83 0.91 0.47 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 0.00 115 K 8.07 3.89 0.00 1.95 1.96 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 116 K 7.87 3.99 0.00 1.96 1.84 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.63 7.81 117 L 8.10 3.93 0.00 1.89 1.72 0.91 1.07 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 0.00 118 R 8.06 3.90 0.00 1.98 2.00 0.00 3.13 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 1.65 1.82 0.00 119 E 7.97 3.92 0.00 2.22 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 2.33 2.46 0.00 120 R 8.39 3.85 0.00 1.98 2.16 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 121 V 8.31 3.62 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 0.81 0.00 0.00 0.96 0.00 0.00 122 K 8.31 4.06 0.00 1.95 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 123 S 8.31 4.05 0.00 3.94 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 0.00 124 L 8.00 4.02 0.00 1.87 1.70 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.26 3.90 0.00 2.09 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 2.33 2.37 0.00 126 K 8.04 3.93 0.00 1.79 1.95 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 127 T 7.70 4.01 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 0.00 128 L 7.87 4.26 0.00 1.71 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00