NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 3.9285 8.3544 109.7358 44.5341 0.0000 174.3281 8 R 4.3394 7.6169 117.1116 53.1187 33.3838 170.1342 9 E 4.8302 9.5387 124.1738 54.5825 33.0258 175.3866 10 C 5.0714 8.4482 117.2428 55.2908 43.5656 174.3970 11 C 4.6383 8.4915 124.1796 55.2152 43.0976 173.2735 12 L 4.0799 8.5925 128.2471 57.5678 41.4909 177.4910 13 E 4.5674 7.5099 114.7619 54.7711 32.2929 174.0814 14 Y 4.7825 8.1375 122.7049 57.9727 38.6154 175.8670 15 F 4.5667 9.3284 125.7674 58.5228 40.5061 174.4151 16 K 4.2182 7.3891 122.3490 54.8707 34.7886 174.7815 17 G 3.5071 8.1929 109.8322 43.9871 0.0000 172.2773 18 A 4.8181 8.4406 121.4991 50.2928 21.2715 176.2693 19 I 4.4347 7.9534 121.3065 58.4453 39.5460 174.2282 20 P 4.2383 0.0000 0.0000 62.5726 31.9537 177.5012 21 L 3.8207 8.3824 122.2352 57.6084 41.6552 179.6301 22 R 4.0719 7.7672 113.6684 58.2795 29.8087 177.3892 23 K 4.2301 8.0690 117.4492 56.9134 32.6193 176.1279 24 L 4.6920 7.5935 120.1940 53.8502 42.6494 175.7744 25 K 4.4464 9.0828 125.3672 58.4347 33.4670 175.8222 26 T 5.0040 7.6632 113.8118 62.7790 73.2611 171.8775 27 W 5.9000 8.4723 118.2584 55.9010 31.4010 173.5161 28 Y 4.3710 8.6574 117.9352 55.6978 41.4676 173.1363 29 Q 5.1546 8.6561 120.8446 54.6495 31.7262 174.3376 30 T 4.9701 8.5039 119.7064 60.5890 71.2952 172.5582 31 S 5.5584 8.4288 119.8888 56.9999 66.9149 172.5590 32 E 4.0845 8.9622 116.1789 55.7674 29.4623 173.5424 33 D 4.6700 8.2670 119.0121 54.4934 40.5331 175.7309 34 C 4.0647 8.9271 114.3895 55.6952 37.8391 175.2256 35 S 3.9030 7.9131 114.5931 59.3518 62.9292 175.3087 36 R 3.5782 8.4743 117.3680 56.3425 27.8830 175.3371 37 D 5.2233 8.4332 114.3355 54.0452 38.9928 173.7056 38 A 4.6787 7.8572 119.0591 52.0629 20.2074 177.7464 39 I 4.2874 8.2723 121.5009 60.4430 38.9368 175.1164 40 V 4.3496 8.3592 127.8663 61.0719 33.1869 174.4043 41 F 5.2200 8.6475 127.6755 56.8355 40.6640 174.9219 42 V 4.8277 8.9946 124.4253 61.7191 33.2144 175.4299 43 T 4.7846 8.9109 118.7950 60.4749 70.4248 176.0459 44 V 3.5839 8.6518 122.7600 66.1937 31.5153 177.0100 45 Q 4.1645 8.0180 115.7175 56.2619 28.8196 176.3918 46 G 3.8887 8.3688 106.6284 45.3586 0.0000 173.2638 47 R 4.6813 7.9384 119.4951 54.5376 32.4443 174.7666 48 A 5.3307 8.5003 124.6517 50.2278 21.9378 176.1630 49 I 4.4418 8.7183 122.3481 59.4128 40.0587 172.4544 50 C 5.0758 8.7581 122.9332 55.1825 42.9490 172.9230 51 S 5.1746 9.1207 117.9277 56.4050 67.7762 173.1091 52 D 3.3700 8.2965 121.7665 52.9233 40.6640 175.2991 53 P 4.1748 0.0000 0.0000 65.4804 31.3572 176.9283 54 N 4.5615 7.8815 114.1257 53.5010 39.0546 175.1992 55 N 4.5710 7.8467 118.3638 52.8275 40.8968 175.7218 56 K 3.9554 8.4791 126.6829 59.7229 32.3459 179.8661 57 R 3.8790 8.0306 117.8731 59.1249 29.9988 179.1737 58 V 3.7337 8.1430 118.0336 66.0159 31.6004 178.2553 59 K 3.8818 8.1507 118.2626 59.6417 31.9185 179.1809 60 N 4.3762 8.4903 116.5964 56.0296 38.3752 177.3908 61 A 4.0385 8.0623 122.5894 54.8560 18.3662 179.7226 62 V 3.2064 7.9339 116.8685 65.9960 31.4781 178.3783 63 K 3.8987 7.9129 118.1265 59.4784 31.8966 178.3612 64 Y 4.2238 8.1059 119.7259 61.1235 38.5982 178.5562 65 L 3.7616 8.0646 119.4848 57.7228 41.4559 179.6258 66 Q 4.1356 8.2736 117.9095 59.0655 28.7196 178.5264 67 S 4.3081 7.9783 115.2790 60.9962 62.9772 176.1105 68 L 3.9766 7.5543 122.7348 57.7815 41.8664 176.7873 69 E 4.2099 7.7183 122.8859 56.4837 29.7442 176.0521 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 7 G 8.35 3.93 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 0.00 0.00 0.00 8 R 7.62 4.34 0.00 1.82 1.78 0.00 3.20 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 9 E 9.54 4.83 0.00 2.14 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 2.23 2.36 0.00 10 C 8.45 5.07 0.00 2.94 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 11 C 8.49 4.64 0.00 3.00 3.10 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 0.00 0.00 0.00 12 L 8.59 4.08 0.00 1.69 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.51 4.57 0.00 1.86 1.78 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 2.21 2.28 0.00 14 Y 8.14 4.78 0.00 2.94 2.77 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 0.00 0.00 0.00 15 F 9.33 4.57 0.00 3.15 3.10 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 0.00 0.00 0.00 16 K 7.39 4.22 0.00 1.34 1.47 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.31 7.81 17 G 8.19 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 4.82 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 19 I 7.95 4.43 1.59 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.68 0.74 0.00 0.00 20 P 0.00 4.24 0.00 2.11 1.92 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 21 L 8.38 3.82 0.00 1.26 0.70 0.36 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.77 4.07 0.00 1.92 2.04 0.00 3.01 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 23 K 8.07 4.23 0.00 1.96 1.84 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.37 7.81 24 L 7.59 4.69 0.00 1.88 1.70 0.61 0.42 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 25 K 9.08 4.45 0.00 1.79 2.09 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 26 T 7.66 5.00 4.33 0.00 0.00 0.00 0.00 0.00 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 27 W 8.47 5.90 0.00 3.16 3.10 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 0.00 0.00 0.00 28 Y 8.66 4.37 0.00 2.88 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 29 Q 8.66 5.15 0.00 2.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 30 T 8.50 4.97 4.50 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 1.30 0.00 0.00 31 S 8.43 5.56 0.00 3.88 3.84 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 32 E 8.96 4.08 0.00 2.37 2.28 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 2.25 2.29 0.00 33 D 8.27 4.67 0.00 2.81 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 34 C 8.93 4.06 0.00 3.31 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.91 3.90 0.00 4.11 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 0.00 36 R 8.47 3.58 0.00 1.95 1.91 0.00 3.02 0.00 0.00 2.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 37 D 8.43 5.22 0.00 2.88 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 38 A 7.86 4.68 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.27 4.29 1.55 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.77 0.10 0.00 0.00 40 V 8.36 4.35 0.67 0.00 0.00 0.00 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 0.63 0.00 0.00 41 F 8.65 5.22 0.00 3.10 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 42 V 8.99 4.83 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 1.13 0.00 0.00 1.15 0.00 0.00 43 T 8.91 4.78 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 1.19 0.00 0.00 44 V 8.65 3.58 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 0.80 0.00 0.00 1.01 0.00 0.00 45 Q 8.02 4.16 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.88 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 46 G 8.37 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 47 R 7.94 4.68 0.00 1.93 1.78 0.00 3.06 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 48 A 8.50 5.33 1.27 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 0.00 0.00 0.00 49 I 8.72 4.44 1.82 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.92 0.20 0.00 0.00 50 C 8.76 5.08 0.00 3.05 3.22 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 0.00 0.00 0.00 0.00 51 S 9.12 5.17 0.00 3.79 3.86 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 0.00 0.00 0.00 52 D 8.30 3.37 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 2.16 2.23 0.00 3.30 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.16 0.00 54 N 7.88 4.56 0.00 2.82 2.86 0.00 0.00 6.95 7.87 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 55 N 7.85 4.57 0.00 2.70 2.73 0.00 0.00 7.15 6.94 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 56 K 8.48 3.96 0.00 1.78 1.82 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.45 7.81 57 R 8.03 3.88 0.00 2.02 1.96 0.00 3.11 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 58 V 8.14 3.73 2.30 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 1.09 0.00 0.00 1.10 0.00 0.00 59 K 8.15 3.88 0.00 1.94 1.78 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.61 7.81 60 N 8.49 4.38 0.00 2.90 2.84 0.00 0.00 6.94 7.86 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 61 A 8.06 4.04 1.10 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 0.00 0.00 0.00 0.00 0.00 62 V 7.93 3.21 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.36 0.00 0.00 63 K 7.91 3.90 0.00 2.04 1.85 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.51 7.81 64 Y 8.11 4.22 0.00 3.01 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 65 L 8.06 3.76 0.00 2.02 1.93 1.30 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.27 4.14 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 67 S 7.98 4.31 0.00 3.95 3.92 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 0.00 0.00 0.00 68 L 7.55 3.98 0.00 1.27 1.60 0.84 0.46 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 69 E 7.72 4.21 0.00 1.96 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 2.32 0.00