NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6217 8.1476 118.3388 55.2615 33.2042 173.9523 2 Q 5.4389 8.4854 117.2830 53.9246 31.8473 172.4531 3 I 4.2725 8.9179 119.3064 60.8474 40.3431 176.2065 4 F 5.4438 8.7299 121.7278 55.7068 39.2790 172.9929 5 V 4.1906 8.6725 120.9738 61.9785 32.5780 174.5183 6 K 4.6133 9.0200 131.7902 56.4135 33.2815 176.7038 7 T 4.4812 8.9763 123.3473 60.6236 69.2800 175.3366 8 L 4.1528 8.4776 118.9743 55.9337 40.9441 177.8954 9 T 4.4977 8.0968 106.3819 60.8616 69.7398 174.8750 10 G 3.9484 8.4293 110.6510 45.0376 0.0000 173.7702 11 K 4.2527 7.3774 121.4488 56.5339 33.8479 176.0576 12 T 5.0119 8.1542 120.3281 61.5851 71.0752 173.8592 13 I 3.9387 8.6179 128.6243 61.5103 38.6024 175.8703 14 T 5.5439 8.4086 121.7127 60.9113 71.7741 173.1657 15 L 4.7368 8.2568 125.5412 54.1621 44.1158 175.0333 16 E 5.2578 8.6263 120.2113 56.2086 30.4714 176.0882 17 V 4.7693 8.0372 114.7427 60.7067 36.5326 173.2464 18 E 4.7287 9.1100 120.0315 54.2740 33.4070 174.8645 19 P 4.4479 0.0000 0.0000 63.8567 31.1078 176.8574 20 S 4.5623 7.7016 111.7860 58.2976 64.2984 173.6838 21 D 4.6519 7.8491 122.2956 53.9699 41.9484 174.4151 22 T 5.4926 7.7164 112.3740 59.0775 70.9769 174.3695 23 I 3.8627 8.2141 124.0254 63.5965 37.5634 178.0670 24 E 4.3097 7.8623 116.8536 57.9640 30.2917 178.5001 25 N 4.4187 8.2379 118.0928 56.0285 38.5666 177.4558 26 V 3.5956 7.7075 119.3856 65.8997 31.6860 178.1395 27 K 4.7756 8.0490 118.3433 58.8463 31.3787 179.1921 28 A 4.0469 7.9077 120.9283 54.7705 18.2867 179.8203 29 K 3.7867 8.3475 117.4970 59.5383 32.0745 179.6483 30 I 3.7763 7.9648 120.2189 64.0695 37.0629 177.6884 31 Q 4.2672 8.2920 119.4664 57.7352 28.6414 176.8027 32 D 4.4671 7.2152 117.4244 56.8421 41.9620 177.8658 33 K 4.2081 8.0570 117.9908 58.3892 31.4659 177.5782 34 E 4.5063 8.4699 115.9759 54.5654 31.6392 177.0826 35 G 4.1928 8.2816 105.7293 46.8815 0.0000 173.6091 36 I 3.9592 6.9831 117.3758 59.7067 37.8988 174.2601 37 P 4.4098 0.0000 0.0000 61.7317 31.7126 175.5161 38 P 4.4581 0.0000 0.0000 65.5018 31.1051 177.4633 39 D 4.3510 8.0931 116.7964 55.9022 41.4678 176.0517 40 Q 4.6022 8.3569 116.3617 55.9437 31.1266 175.7205 41 Q 4.3815 7.4088 117.6775 56.2808 29.7103 176.5145 42 R 4.6073 8.0601 119.9850 54.3499 28.8791 174.8969 43 L 4.3106 7.8370 121.1436 56.3757 43.6765 176.5945 44 I 4.9467 8.7682 124.6184 59.7756 42.3426 174.3132 45 F 4.9734 8.2139 125.6861 57.0681 42.1553 173.7845 46 A 3.5246 9.5485 127.3535 52.7420 16.2917 177.2017 47 G 3.8711 8.0249 104.1677 47.2412 0.0000 175.0975 48 K 3.7814 8.5400 117.0258 58.2976 32.2147 179.3198 49 Q 3.0641 7.6527 114.8257 57.0376 24.3473 175.5913 50 L 4.1663 7.5474 123.6201 55.0430 43.0680 177.8462 51 E 4.7798 8.0313 120.4592 56.3960 29.6344 177.7422 52 D 4.7968 8.6431 125.1864 55.3919 42.2845 176.7590 53 G 4.2066 7.9812 105.0687 44.5910 0.0000 173.1542 54 R 4.7790 7.9435 121.6088 54.1835 33.1435 174.7032 55 T 5.4011 7.4249 106.1201 58.5874 72.2007 174.6275 56 L 4.0083 8.2559 121.2328 57.7069 41.5452 179.6426 57 S 4.0592 7.9316 112.9464 61.1561 62.1742 175.2724 58 D 4.4160 7.5273 119.5650 56.1101 40.8692 176.0867 59 Y 4.9556 7.2496 114.1857 57.0096 38.8490 174.4644 60 N 4.2224 8.1167 116.5301 54.2345 38.1417 174.1003 61 I 3.5851 7.7647 116.5225 60.7980 37.7875 176.2649 62 Q 4.5115 8.2077 124.0683 53.8575 30.9591 176.2573 63 K 4.3061 8.3556 116.7598 58.9525 32.4335 177.8967 64 E 4.4426 7.7904 117.5627 55.8931 30.2298 177.1976 65 S 4.0828 7.8737 116.4524 60.4675 62.9532 171.4809 66 T 3.6822 7.5350 123.0581 62.9531 68.8508 170.7621 67 L 5.0495 8.4373 122.8717 53.9984 47.0710 174.3789 68 H 5.5100 9.1791 115.2600 54.3297 33.2324 172.7562 69 L 5.1512 8.6531 121.5595 53.1993 44.8117 177.6342 70 V 4.5387 8.0007 123.4553 59.6480 31.5919 174.1866 71 L 4.2847 7.7816 123.6981 55.9351 42.6379 177.7325 72 R 4.4026 8.3962 120.0206 55.8495 31.3099 176.7859 73 L 4.5336 8.1327 117.4065 53.6441 43.5324 177.2503 74 R 4.1168 8.0916 119.6078 55.1368 28.4921 176.2150 75 G 4.0676 7.1999 108.9654 45.5452 0.0000 173.3586 76 G 3.7570 7.7755 112.8199 46.4740 0.0000 173.0367 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 M 8.15 4.62 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 2 Q 8.49 5.44 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.87 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 3 I 8.92 4.27 1.93 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 1.40 0.98 0.96 0.00 0.00 4 F 8.73 5.44 0.00 2.91 2.99 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 0.00 0.00 0.00 5 V 8.67 4.19 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 0.99 0.00 0.00 0.96 0.00 0.00 6 K 9.02 4.61 0.00 1.89 1.75 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.57 7.81 7 T 8.98 4.48 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 1.33 0.00 0.00 8 L 8.48 4.15 0.00 1.68 1.69 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.10 4.50 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 10 G 8.43 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.38 4.25 0.00 1.83 1.68 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.55 7.81 12 T 8.15 5.01 4.19 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 0.00 0.00 0.00 1.15 0.00 0.00 13 I 8.62 3.94 1.85 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 1.20 0.86 0.88 0.00 0.00 14 T 8.41 5.54 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 1.04 0.00 0.00 15 L 8.26 4.74 0.00 1.65 1.68 0.95 0.67 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 16 E 8.63 5.26 0.00 1.86 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 2.31 2.41 0.00 17 V 8.04 4.77 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 0.67 0.00 0.00 0.93 0.00 0.00 18 E 9.11 4.73 0.00 1.97 1.76 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 2.21 2.23 0.00 19 P 0.00 4.45 0.00 2.15 2.13 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 20 S 7.70 4.56 0.00 3.94 3.95 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 0.00 0.00 0.00 21 D 7.85 4.65 0.00 2.88 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 22 T 7.72 5.49 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 1.25 0.00 0.00 23 I 8.21 3.86 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.23 1.02 0.00 0.00 24 E 7.86 4.31 0.00 2.20 2.34 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 2.27 2.27 0.00 25 N 8.24 4.42 0.00 3.14 2.89 0.00 0.00 6.76 7.25 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 26 V 7.71 3.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 27 K 8.05 4.78 0.00 2.09 1.89 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.51 7.81 28 A 7.91 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 3.79 0.00 1.95 1.86 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.54 7.81 30 I 7.96 3.78 2.17 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 1.41 0.86 0.93 0.00 0.00 31 Q 8.29 4.27 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 32 D 7.22 4.47 0.00 2.75 2.73 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 33 K 8.06 4.21 0.00 1.76 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.59 7.81 34 E 8.47 4.51 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 35 G 8.28 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 6.98 3.96 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 1.36 0.58 0.92 0.00 0.00 37 P 0.00 4.41 0.00 2.22 2.19 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 38 P 0.00 4.46 0.00 2.24 2.38 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 39 D 8.09 4.35 0.00 2.64 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 40 Q 8.36 4.60 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 41 Q 7.41 4.38 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.28 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 42 R 8.06 4.61 0.00 1.71 1.97 0.00 3.27 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 43 L 7.84 4.31 0.00 1.84 1.58 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.77 4.95 1.92 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 1.13 1.01 0.93 0.00 0.00 45 F 8.21 4.97 0.00 2.99 2.79 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 46 A 9.55 3.52 0.78 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 47 G 8.02 3.87 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 0.00 0.00 0.00 48 K 8.54 3.78 0.00 1.74 1.78 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.79 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.52 1.25 7.81 49 Q 7.65 3.06 0.00 2.15 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.10 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 50 L 7.55 4.17 0.00 1.80 1.76 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.03 4.78 0.00 2.23 1.86 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 2.44 2.51 0.00 52 D 8.64 4.80 0.00 2.58 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 4.21 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 0.00 0.00 0.00 54 R 7.94 4.78 0.00 1.66 1.34 0.00 3.03 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 55 T 7.42 5.40 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 1.20 0.00 0.00 56 L 8.26 4.01 0.00 1.66 1.70 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.93 4.06 0.00 3.84 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 58 D 7.53 4.42 0.00 2.40 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 59 Y 7.25 4.96 0.00 2.90 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 60 N 8.12 4.22 0.00 2.87 2.93 0.00 0.00 7.19 8.00 0.00 0.00 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 I 7.76 3.59 1.92 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 -0.26 0.20 0.72 0.00 0.00 62 Q 8.21 4.51 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.02 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 63 K 8.36 4.31 0.00 2.03 2.06 0.00 1.45 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.42 7.81 64 E 7.79 4.44 0.00 1.55 1.93 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 2.16 2.13 0.00 65 S 7.87 4.08 0.00 3.99 4.19 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 0.00 0.00 0.00 0.00 66 T 7.54 3.68 4.28 0.00 0.00 0.00 0.00 0.00 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 67 L 8.44 5.05 0.00 1.66 1.70 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.18 5.51 0.00 3.14 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.65 5.15 0.00 1.63 1.50 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.00 4.54 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 0.81 0.00 0.00 0.93 0.00 0.00 71 L 7.78 4.28 0.00 1.66 1.68 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.40 4.40 0.00 1.78 1.85 0.00 3.11 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 73 L 8.13 4.53 0.00 1.63 1.65 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.09 4.12 0.00 1.97 2.02 0.00 3.42 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 75 G 7.20 4.07 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 0.00 0.00 0.00 76 G 7.78 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