NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5097 8.3049 120.3270 54.7080 33.4757 175.3765 2 K 4.4587 7.4718 118.2674 57.4274 39.2426 177.4463 3 A 4.0873 8.0750 122.2195 54.9181 19.7940 178.5908 4 K 4.0858 8.1063 116.3485 59.8510 32.5512 177.9309 5 E 4.0624 8.1656 116.5938 58.9341 29.6860 177.6967 6 L 3.7339 7.9629 119.9853 56.7086 42.3654 175.9827 7 R 3.7747 8.5915 126.5385 56.1388 27.2692 175.4734 8 E 4.5069 8.2706 120.7944 54.6565 30.7798 170.9687 9 K 3.9653 8.2068 125.8735 55.7657 33.3914 176.3611 10 S 4.2701 8.5780 120.9320 60.5581 63.1467 176.6216 11 V 3.7265 7.7598 121.3658 65.8000 31.4871 177.2872 12 E 3.8789 8.0835 117.6217 59.8628 29.4609 179.2966 13 E 3.9844 8.5130 119.0824 59.1451 29.8469 178.4064 14 L 4.1057 7.8263 119.7245 57.1155 41.9326 178.4230 15 N 4.3686 8.3657 117.0037 56.6284 38.8520 177.0495 16 T 3.8065 7.8972 116.4745 67.4185 68.0339 175.0636 17 E 3.8029 8.2956 119.8799 59.9219 29.4600 178.3766 18 L 3.9447 8.2517 119.2602 58.5619 42.4728 179.5427 19 L 4.3893 8.6606 118.7843 57.5212 41.4869 178.4040 20 N 4.4423 8.4923 118.0950 55.4696 38.2149 176.7787 21 L 3.9637 7.6774 120.7188 58.5189 42.1917 178.5361 22 L 3.5633 8.5714 116.4464 59.7501 43.3930 183.0614 23 R 4.3216 7.7022 118.6540 56.6793 30.4628 181.3361 24 E 3.0508 8.2635 119.2605 57.1004 30.8992 177.0580 25 Q 3.8186 6.9960 130.2301 58.9387 29.7255 177.0133 26 F 4.2855 8.1955 120.7996 60.1521 40.2080 177.3133 27 N 4.3573 8.2454 115.5652 56.4696 38.3749 176.6291 28 L 4.1977 8.6284 120.6832 58.0725 41.6670 179.2565 29 R 3.9675 7.5043 117.5489 60.0505 29.9932 178.2101 30 M 3.7630 7.9191 118.2471 58.4382 31.4398 178.3483 31 Q 3.9394 9.0853 121.5041 58.5461 29.0051 178.4065 32 A 3.9549 8.4649 120.8356 55.2893 18.6433 179.2632 33 A 4.1084 8.3448 119.7699 54.6612 18.2894 178.4750 34 S 4.6707 7.8949 112.4838 58.8230 63.8087 176.0908 35 G 4.1603 7.9733 113.3813 46.3548 0.0000 175.5903 36 Q 4.3156 7.1243 124.2798 53.3672 27.3733 176.6674 37 L 3.7210 8.5906 128.8334 55.6185 40.4608 173.9176 38 Q 4.1763 8.6950 124.9200 58.0635 29.3534 177.1276 39 Q 4.5156 7.6506 118.0299 53.8503 27.8515 175.4613 40 S 4.0850 8.5011 122.6636 62.8486 62.6459 176.1151 41 H 4.0621 8.5340 117.9797 58.2110 27.4146 176.9969 42 L 3.8603 7.8524 122.0334 57.9658 41.2664 178.9957 43 L 3.9127 7.9568 118.7722 57.9651 41.5230 179.6305 44 K 4.0152 7.6090 119.3100 58.6258 32.1847 177.2585 45 Q 4.2695 6.8330 115.3731 56.9241 28.7671 174.0470 46 V 3.3695 7.7171 119.7630 62.8351 31.3827 173.1406 47 R 3.9236 7.7880 117.7194 59.8492 30.4656 178.9924 48 R 4.0081 8.1470 117.4073 59.3274 30.2002 178.4174 49 D 4.3826 8.1872 118.2218 57.5260 40.7929 179.0056 50 V 3.5558 8.6271 119.2458 65.9981 31.4648 177.6652 51 A 3.9970 7.4822 118.9359 55.5890 18.1968 179.3451 52 R 3.8225 7.8937 116.0878 59.7108 29.9721 179.0932 53 V 3.5679 7.7538 117.3067 66.2879 31.2383 177.8316 54 K 4.2473 8.1628 117.2213 58.5545 32.1742 179.2640 55 T 3.8600 8.1507 116.8810 65.7105 68.5930 174.6501 56 L 4.1313 7.0971 120.1871 56.2208 42.4694 176.3075 57 L 4.1485 8.9370 122.5334 54.9437 41.5833 174.9648 58 N 4.7911 7.5458 113.3633 53.3668 39.3480 174.6832 59 E 4.5076 7.8662 113.9875 57.7860 31.4956 177.4287 60 K 3.9376 8.1862 119.5550 58.6665 32.7067 176.6380 61 A 4.3411 7.7204 121.2446 51.2443 19.9174 177.9012 62 G 3.9720 8.8074 104.8091 46.4299 0.0000 173.9032 63 A 4.1568 7.9979 127.2449 52.5143 19.3534 175.9608 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 8.30 4.51 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 2 K 7.47 4.46 0.00 1.89 1.71 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.56 7.81 3 A 8.07 4.09 1.28 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 0.00 0.00 0.00 4 K 8.11 4.09 0.00 1.73 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 5 E 8.17 4.06 0.00 2.00 2.15 0.00 0.00 0.00 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 2.29 0.00 6 L 7.96 3.73 0.00 1.80 1.61 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.59 3.77 0.00 1.95 1.91 0.00 3.37 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 8 E 8.27 4.51 0.00 2.00 1.83 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 2.16 2.31 0.00 9 K 8.21 3.97 0.00 2.04 1.76 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.57 7.81 10 S 8.58 4.27 0.00 3.88 3.90 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 0.00 0.00 0.00 11 V 7.76 3.73 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 1.07 0.00 0.00 0.93 0.00 0.00 12 E 8.08 3.88 0.00 2.40 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 2.41 2.36 0.00 13 E 8.51 3.98 0.00 2.27 1.94 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 2.31 2.32 0.00 14 L 7.83 4.11 0.00 1.95 1.70 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.37 4.37 0.00 3.00 2.82 0.00 0.00 6.82 6.72 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 16 T 7.90 3.81 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 1.25 0.00 0.00 17 E 8.30 3.80 0.00 2.09 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 0.00 2.32 2.48 0.00 18 L 8.25 3.94 0.00 1.97 1.66 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.66 4.39 0.00 1.99 1.70 0.91 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.49 4.44 0.00 2.97 2.80 0.00 0.00 6.79 6.58 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 21 L 7.68 3.96 0.00 1.64 1.79 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.57 3.56 0.00 1.71 1.55 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.70 4.32 0.00 2.07 1.57 0.00 3.35 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 24 E 8.26 3.05 0.00 2.25 2.05 0.00 0.00 0.00 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 2.27 0.00 25 Q 7.00 3.82 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 26 F 8.20 4.29 0.00 3.13 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.25 4.36 0.00 2.87 2.90 0.00 0.00 7.08 6.74 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 28 L 8.63 4.20 0.00 1.83 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.50 3.97 0.00 1.82 1.84 0.00 2.97 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 30 M 7.92 3.76 0.00 1.84 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.56 0.00 31 Q 9.09 3.94 0.00 2.02 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.23 0.00 32 A 8.46 3.95 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.34 4.11 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.89 4.67 0.00 4.06 4.09 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 0.00 0.00 0.00 0.00 35 G 7.97 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.12 4.32 0.00 2.07 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 5.99 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 37 L 8.59 3.72 0.00 1.69 1.62 0.90 0.91 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 38 Q 8.69 4.18 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 39 Q 7.65 4.52 0.00 2.41 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 40 S 8.50 4.09 0.00 4.07 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 41 H 8.53 4.06 0.00 3.44 3.64 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.85 3.86 0.00 1.88 1.69 0.70 0.45 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 43 L 7.96 3.91 0.00 1.67 1.73 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.61 4.02 0.00 1.72 1.96 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.49 7.81 45 Q 6.83 4.27 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 5.52 0.00 0.00 0.00 0.00 0.00 2.61 2.30 0.00 46 V 7.72 3.37 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 0.91 0.00 0.00 0.92 0.00 0.00 47 R 7.79 3.92 0.00 2.25 2.12 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 48 R 8.15 4.01 0.00 1.87 1.95 0.00 3.37 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 49 D 8.19 4.38 0.00 2.85 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 50 V 8.63 3.56 2.35 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 1.02 0.00 0.00 0.94 0.00 0.00 51 A 7.48 4.00 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 52 R 7.89 3.82 0.00 2.11 1.99 0.00 3.33 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 53 V 7.75 3.57 2.25 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 0.87 0.00 0.00 1.01 0.00 0.00 54 K 8.16 4.25 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.71 7.81 55 T 8.15 3.86 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 1.21 0.00 0.00 56 L 7.10 4.13 0.00 1.74 1.61 1.00 0.92 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 57 L 8.94 4.15 0.00 1.96 2.07 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.55 4.79 0.00 2.80 2.83 0.00 0.00 7.07 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 59 E 7.87 4.51 0.00 2.07 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 2.29 2.32 0.00 60 K 8.19 3.94 0.00 1.75 1.92 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.43 7.81 61 A 7.72 4.34 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 62 G 8.81 3.97 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 0.00 0.00 0.00 63 A 8.00 4.16 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00