NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4772 8.3349 116.7954 58.2326 64.7497 174.2457 5 E 4.0188 8.2703 124.6810 58.2898 31.0740 174.2149 6 V 3.4165 8.1121 118.2862 66.1582 32.6471 177.4000 7 R 3.8572 8.2556 117.9720 60.1006 29.6283 176.6726 8 K 4.0209 8.0848 119.3551 57.5527 31.6461 178.2405 9 Q 3.8525 8.1039 118.3919 60.0495 29.7385 178.3147 10 L 4.0770 8.4055 121.4929 57.4119 41.6684 177.2870 11 E 4.0683 8.0235 122.6697 58.6382 30.2035 177.7882 12 E 4.1881 8.2197 117.8294 58.4435 29.8940 176.4200 13 A 4.0238 9.2157 126.9681 54.8262 19.0855 178.2523 14 R 3.8129 8.4134 117.0273 57.4533 30.2667 175.0742 15 K 3.8041 8.5751 127.3059 55.1633 28.5345 175.3698 16 L 5.6460 7.3996 135.0000 55.6117 43.0313 174.7026 17 S 4.4894 7.2918 123.5597 57.6184 66.9072 175.0473 18 P 4.4062 0.0000 0.0000 65.4395 30.7833 177.7226 19 V 3.6592 7.7271 116.6352 65.4583 31.6376 177.6045 20 E 4.0797 8.0525 118.1871 59.3032 29.5626 178.5102 21 L 3.9253 7.9405 118.4362 58.1524 41.3229 179.1333 22 E 3.9831 8.0666 118.2516 58.4473 29.2305 178.1979 23 K 3.9803 8.3704 119.0801 58.6016 33.1195 177.8107 24 L 3.9549 7.8748 119.8394 57.7411 41.7509 179.2482 25 V 3.6837 7.7913 112.4226 64.2290 31.7146 178.4354 26 R 3.9633 7.2348 115.2994 58.3705 30.1281 177.6404 27 E 4.4608 7.7627 117.9116 57.9489 30.8326 178.0358 28 K 3.5361 7.8945 118.2817 59.4645 31.8203 178.6120 29 K 4.2664 8.4050 116.8731 57.2449 32.1652 178.7039 30 R 4.0943 8.6694 121.2337 58.7575 30.3860 177.6874 31 E 3.9152 8.0781 117.7956 59.4662 29.6646 178.6272 32 L 3.9144 8.0816 120.3188 58.6260 41.5394 178.6174 33 M 4.1261 7.6755 117.3228 59.0811 32.0482 178.0958 34 E 4.1679 8.1532 116.2557 58.4737 29.3290 179.0652 35 L 4.1922 8.0870 120.0544 57.7713 41.7409 179.3688 36 R 3.9381 8.0344 117.4057 59.6363 30.1952 179.0121 37 F 3.8638 7.9996 116.3330 60.9308 38.7077 178.1594 38 Q 4.0574 7.7905 115.3068 59.0416 28.8027 178.4993 39 A 4.1277 7.9082 121.3088 54.9669 18.2398 178.9133 40 S 4.0660 8.3516 111.5326 61.9438 62.4414 176.1181 41 I 4.0616 7.5713 111.3522 60.0575 37.4192 177.0179 42 G 3.8929 8.9972 110.6141 46.6027 0.0000 174.5594 43 Q 4.2684 8.6987 118.5524 54.1532 28.7826 176.8182 44 L 4.7542 6.7127 114.3580 53.9501 44.9769 174.6349 45 S 4.7687 7.3641 112.0525 58.6538 65.3688 176.0415 46 Q 4.5317 8.4031 121.4673 58.1213 28.6450 178.8287 47 N 3.4620 8.7159 113.8797 53.0126 40.4504 177.0536 48 H 4.7182 7.4233 117.5498 56.8634 31.1354 177.2489 49 K 4.1603 9.3419 119.0776 58.0081 32.3579 178.0038 50 I 3.7426 7.4060 112.5442 62.7796 36.8546 177.7070 51 R 3.7688 8.3274 115.7729 58.9198 29.4328 177.8803 52 D 4.3278 7.2861 117.8451 57.0957 41.4503 178.0890 53 L 4.2337 9.0854 120.8968 58.0928 42.2690 178.6082 54 K 3.8659 8.6186 119.5867 60.0155 32.0009 178.9727 55 R 3.9669 8.1023 117.7394 59.5346 29.8884 179.1755 56 Q 3.9732 8.5197 118.0633 58.8847 28.6377 178.4022 57 I 3.6604 7.5757 120.2283 64.5711 37.1060 178.1234 58 A 3.9485 7.9170 120.3934 55.4783 18.1457 179.4581 59 R 3.6669 8.2066 118.1622 58.7764 30.0058 179.2703 60 L 3.8372 8.5274 118.8250 57.6624 41.7355 179.0814 61 L 3.9761 8.2017 119.3471 58.3539 41.5968 179.8345 62 T 3.8935 8.7913 110.4093 64.5663 68.2874 176.1706 63 V 3.7352 7.1250 121.0161 65.3232 31.9647 177.5208 64 L 3.9518 8.1577 120.4649 58.2129 41.7806 178.3464 65 N 4.2317 8.8975 117.4579 56.6009 38.7592 176.1345 66 E 4.0061 7.9374 120.0538 60.1481 29.7924 178.7357 67 K 4.0910 8.3469 118.5957 58.8490 31.8460 179.2208 68 R 3.9000 7.9934 119.3607 59.6607 30.4937 179.1102 69 R 3.9987 8.3078 116.5809 57.5601 30.1502 175.3317 70 Q 4.5795 7.3687 118.3327 53.7562 31.5841 173.9738 71 N 3.2885 8.2037 113.1165 53.5043 39.3106 174.0163 72 A 4.0399 8.3405 124.8145 52.7122 18.6364 177.9644 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 4 S 8.33 4.48 0.00 3.88 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 5 E 8.27 4.02 0.00 2.16 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 2.39 2.42 0.00 6 V 8.11 3.42 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 1.03 0.00 0.00 0.93 0.00 0.00 7 R 8.26 3.86 0.00 1.91 1.96 0.00 3.24 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 8 K 8.08 4.02 0.00 1.78 1.73 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 9 Q 8.10 3.85 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 10 L 8.41 4.08 0.00 1.92 1.64 0.92 0.73 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 11 E 8.02 4.07 0.00 2.00 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 2.33 2.37 0.00 12 E 8.22 4.19 0.00 2.05 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 2.27 2.35 0.00 13 A 9.22 4.02 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 14 R 8.41 3.81 0.00 1.93 1.87 0.00 3.40 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 15 K 8.58 3.80 0.00 1.95 1.85 0.00 1.93 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.35 7.81 16 L 7.40 5.65 0.00 1.76 1.74 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.29 4.49 0.00 4.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.29 2.34 0.00 3.70 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 2.07 2.01 0.00 19 V 7.73 3.66 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 0.89 0.00 0.00 0.93 0.00 0.00 20 E 8.05 4.08 0.00 2.18 1.97 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 2.40 2.30 0.00 21 L 7.94 3.93 0.00 1.84 1.74 0.92 0.79 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 22 E 8.07 3.98 0.00 2.20 2.14 0.00 0.00 0.00 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 2.34 0.00 23 K 8.37 3.98 0.00 1.80 1.94 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 24 L 7.87 3.95 0.00 1.75 1.79 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.79 3.68 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 0.76 0.00 0.00 0.98 0.00 0.00 26 R 7.23 3.96 0.00 1.75 2.01 0.00 3.13 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 1.68 2.07 0.00 27 E 7.76 4.46 0.00 1.96 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 2.23 2.31 0.00 28 K 7.89 3.54 0.00 1.92 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.65 7.81 29 K 8.41 4.27 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 30 R 8.67 4.09 0.00 1.79 2.07 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 31 E 8.08 3.92 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 2.45 2.48 0.00 32 L 8.08 3.91 0.00 1.86 1.78 0.94 1.12 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 33 M 7.68 4.13 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 3.32 0.00 34 E 8.15 4.17 0.00 2.08 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 1.92 2.16 0.00 35 L 8.09 4.19 0.00 1.92 1.75 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.03 3.94 0.00 2.01 1.88 0.00 3.10 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 37 F 8.00 3.86 0.00 3.33 3.18 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 0.00 0.00 0.00 0.00 38 Q 7.79 4.06 0.00 2.31 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 39 A 7.91 4.13 1.35 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 0.00 0.00 0.00 40 S 8.35 4.07 0.00 3.80 4.08 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 0.00 0.00 0.00 41 I 7.57 4.06 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.76 0.95 0.00 0.00 42 G 9.00 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.70 4.27 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.64 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 44 L 6.71 4.75 0.00 1.80 1.63 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.36 4.77 0.00 3.84 3.73 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 46 Q 8.40 4.53 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 5.93 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 47 N 8.72 3.46 0.00 3.19 3.04 0.00 0.00 6.88 7.78 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 48 H 7.42 4.72 0.00 3.38 3.68 0.00 5.44 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 49 K 9.34 4.16 0.00 1.82 1.79 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.26 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.35 1.01 7.81 50 I 7.41 3.74 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 1.70 0.83 0.92 0.00 0.00 51 R 8.33 3.77 0.00 2.05 2.28 0.00 2.99 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 52 D 7.29 4.33 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.09 4.23 0.00 2.01 1.75 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.62 3.87 0.00 2.05 1.89 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.53 7.81 55 R 8.10 3.97 0.00 2.06 2.00 0.00 3.18 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 56 Q 8.52 3.97 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 57 I 7.58 3.66 1.94 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 1.72 0.96 0.91 0.00 0.00 58 A 7.92 3.95 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 59 R 8.21 3.67 0.00 2.09 2.02 0.00 3.14 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 60 L 8.53 3.84 0.00 1.99 1.70 0.99 0.75 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 61 L 8.20 3.98 0.00 1.79 1.73 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.79 3.89 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 1.26 0.00 0.00 63 V 7.13 3.74 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 0.99 0.00 0.00 1.01 0.00 0.00 64 L 8.16 3.95 0.00 1.72 1.83 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.90 4.23 0.00 2.99 2.96 0.00 0.00 6.72 8.22 0.00 0.00 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 E 7.94 4.01 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 67 K 8.35 4.09 0.00 2.13 1.76 0.00 1.62 0.00 0.00 1.93 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.52 7.81 68 R 7.99 3.90 0.00 1.81 2.01 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 69 R 8.31 4.00 0.00 1.75 2.10 0.00 3.21 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 70 Q 7.37 4.58 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 71 N 8.20 3.29 0.00 2.70 2.64 0.00 0.00 6.94 7.96 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 72 A 8.34 4.04 1.38 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 0.00 0.00 0.00