NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7114 8.2833 118.2119 52.2981 39.1445 174.6325 7 I 3.4237 8.2289 118.0174 63.7429 36.7141 176.8143 8 Q 3.7700 8.6845 121.1459 59.4426 29.4136 177.6335 9 D 4.1383 7.9036 119.3311 57.1228 41.0000 178.6095 10 K 3.8320 8.1242 120.0603 59.2242 32.0644 178.8379 11 A 3.4854 7.5712 120.9361 54.6891 18.1884 179.6424 12 L 3.3432 7.4204 117.7221 57.5514 41.4250 179.2009 13 E 4.0712 8.0251 119.6413 59.3851 29.5115 178.4940 14 N 4.2417 7.7458 116.5035 56.6428 39.1306 176.8735 15 F 4.5044 7.8980 119.4323 60.4729 38.8446 177.6496 16 K 4.4097 8.7678 120.5634 59.0821 31.8932 178.7888 17 A 4.0443 8.0662 119.8677 55.0489 18.4625 178.6069 18 N 4.5687 8.2852 111.8047 52.7299 39.2423 175.1003 19 Q 3.5253 7.8245 118.3068 56.8791 27.1205 174.1751 20 T 4.0418 7.6287 112.7974 63.6193 69.4536 174.5283 21 E 4.2761 8.6871 126.6585 56.1482 30.2386 176.0369 22 V 4.4553 8.8154 120.8502 59.7368 35.5662 174.8313 23 T 4.7339 8.8302 121.5081 61.9403 70.6275 173.6078 24 V 4.3707 8.6984 127.9505 61.7211 33.1731 174.5157 25 F 4.9672 9.0904 127.3360 56.1621 41.1653 175.8097 26 F 4.7625 9.2831 122.3183 55.8835 40.7998 176.9822 27 L 3.9589 8.7808 120.4715 58.0836 41.3614 178.5599 28 N 4.4515 8.0323 112.8200 53.0501 37.5510 175.6887 29 G 4.2005 8.3240 108.6416 45.5521 0.0000 174.4051 30 F 4.7303 8.4552 118.9111 57.7301 39.5246 173.9650 31 Q 4.9433 8.2703 119.6706 54.7454 31.7805 174.0787 32 M 4.7102 8.9748 120.5756 53.8672 35.8179 173.3543 33 K 4.8274 8.3679 127.2660 55.1384 34.2267 175.7174 34 G 4.0754 8.2237 112.7944 46.3350 0.0000 171.3141 35 V 4.8982 8.0928 120.4725 61.0542 34.5564 176.3753 36 I 4.7158 8.4042 128.7434 61.0975 37.3238 175.9262 37 E 4.4209 9.0799 126.3629 57.6419 30.9476 176.2152 38 E 4.7673 7.9444 118.0468 55.6416 33.6757 173.1511 39 Y 5.1937 7.4000 116.2847 56.4746 40.4275 173.7937 40 D 4.7776 8.7654 120.9297 52.1530 42.0314 174.7444 41 K 3.9734 8.8000 118.2715 59.3584 32.3758 177.9513 42 Y 4.9720 9.0429 115.0120 57.9091 39.9864 175.2892 43 V 5.1688 7.9071 111.5694 59.5938 36.8889 174.3540 44 V 4.8703 8.9691 121.5997 61.3308 35.2171 174.0587 45 S 5.1820 9.5066 122.6748 56.7200 64.2180 172.1954 46 L 5.1760 9.1023 130.2953 53.2867 44.5971 174.3194 47 N 5.2974 9.2552 126.0587 52.5835 40.6734 173.6970 48 S 4.6695 9.1687 120.9382 57.3838 66.2566 173.8885 49 Q 3.4996 9.8314 126.4432 57.1342 26.0915 174.9751 50 G 3.9826 8.4053 103.6622 45.5011 0.0000 173.8536 51 K 4.5795 7.8563 119.2217 54.4021 34.6725 174.6251 52 Q 4.8315 8.3158 122.8366 55.4278 30.5558 174.4428 53 H 4.8361 9.1530 122.7626 53.9566 32.2995 172.2101 54 L 4.9075 8.6909 126.2451 53.9289 42.8717 175.3160 55 I 4.6213 8.8361 128.1823 59.5748 39.9953 175.0574 56 Y 4.6760 8.4903 124.3939 57.3890 38.7079 176.9995 57 K 4.0295 9.2516 125.0419 59.5660 32.3781 178.8562 58 H 4.3067 8.3890 112.8477 57.5366 28.6498 175.6205 59 A 4.6332 8.3497 122.6783 52.0372 19.5016 176.1646 60 I 4.4076 7.5350 117.8026 59.9727 38.6639 175.4508 61 S 4.6173 8.8877 119.6710 60.2390 64.3223 174.5551 62 T 4.7076 7.4708 115.3412 61.7736 73.1609 172.0526 63 Y 5.0993 8.6865 121.4604 56.6841 40.1995 175.2549 64 T 4.8453 9.3435 121.0105 61.8331 71.9224 173.6315 65 V 4.8134 8.4641 117.6835 59.3413 35.6755 175.5347 66 E 4.2674 8.7010 120.3061 56.4840 29.6366 175.7759 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 6 N 8.28 4.71 0.00 2.89 3.04 0.00 0.00 6.12 6.90 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 7 I 8.23 3.42 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.15 0.85 0.00 0.00 8 Q 8.68 3.77 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 9 D 7.90 4.14 0.00 2.69 2.72 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 0.00 0.00 0.00 0.00 10 K 8.12 3.83 0.00 1.95 1.67 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.39 7.81 11 A 7.57 3.49 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.42 3.34 0.00 0.50 0.13 0.53 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.03 4.07 0.00 2.20 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 2.34 2.38 0.00 14 N 7.75 4.24 0.00 2.81 2.61 0.00 0.00 7.23 7.17 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 15 F 7.90 4.50 0.00 3.12 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 16 K 8.77 4.41 0.00 2.04 2.13 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.52 1.53 7.81 17 A 8.07 4.04 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 18 N 8.29 4.57 0.00 2.91 2.91 0.00 0.00 7.16 7.31 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 19 Q 7.82 3.53 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 20 T 7.63 4.04 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 1.18 0.00 0.00 21 E 8.69 4.28 0.00 1.93 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 0.00 2.26 2.36 0.00 22 V 8.82 4.46 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.86 0.00 0.00 23 T 8.83 4.73 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 0.89 0.00 0.00 24 V 8.70 4.37 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.88 0.00 0.00 25 F 9.09 4.97 0.00 2.87 2.97 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 26 F 9.28 4.76 0.00 3.09 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 27 L 8.78 3.96 0.00 1.66 1.76 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.03 4.45 0.00 2.48 2.66 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.32 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 30 F 8.46 4.73 0.00 3.14 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.27 4.94 0.00 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.70 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 32 M 8.97 4.71 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 33 K 8.37 4.83 0.00 1.72 1.62 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.49 7.81 34 G 8.22 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 0.00 0.00 0.00 35 V 8.09 4.90 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 0.98 0.00 0.00 36 I 8.40 4.72 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.83 1.08 0.00 0.00 37 E 9.08 4.42 0.00 2.00 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 0.00 2.29 2.31 0.00 38 E 7.94 4.77 0.00 1.98 1.77 0.00 0.00 0.00 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 2.23 0.00 39 Y 7.40 5.19 0.00 3.04 2.93 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 0.00 0.00 0.00 40 D 8.77 4.78 0.00 2.69 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 41 K 8.80 3.97 0.00 1.52 1.39 0.00 1.51 0.00 0.00 1.19 0.00 0.00 2.58 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.52 1.18 7.81 42 Y 9.04 4.97 0.00 3.12 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 43 V 7.91 5.17 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 0.60 0.00 0.00 1.02 0.00 0.00 44 V 8.97 4.87 2.22 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 0.93 0.00 0.00 1.14 0.00 0.00 45 S 9.51 5.18 0.00 3.91 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 46 L 9.10 5.18 0.00 1.80 1.55 0.97 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.26 5.30 0.00 2.81 2.69 0.00 0.00 6.16 7.24 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 48 S 9.17 4.67 0.00 3.85 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 9.83 3.50 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 50 G 8.41 3.98 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 0.00 0.00 0.00 51 K 7.86 4.58 0.00 1.92 1.53 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 52 Q 8.32 4.83 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 53 H 9.15 4.84 0.00 3.13 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.69 4.91 0.00 1.60 1.52 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.84 4.62 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.89 1.06 0.00 0.00 56 Y 8.49 4.68 0.00 2.87 2.38 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 57 K 9.25 4.03 0.00 1.98 1.99 0.00 1.98 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.65 1.54 7.81 58 H 8.39 4.31 0.00 3.23 3.50 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.35 4.63 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.53 4.41 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.66 0.27 0.00 0.00 61 S 8.89 4.62 0.00 3.79 3.98 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 62 T 7.47 4.71 4.18 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 1.21 0.00 0.00 63 Y 8.69 5.10 0.00 2.98 2.89 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 64 T 9.34 4.85 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 65 V 8.46 4.81 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 0.43 0.00 0.00 1.06 0.00 0.00 66 E 8.70 4.27 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 2.17 2.21 0.00