NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4348 8.1627 118.3254 55.2336 33.2161 173.4604 2 Q 4.6676 8.2964 122.0927 53.0993 30.8767 172.7887 3 I 4.4447 9.2553 120.3484 58.9901 42.2613 173.4116 4 F 5.3017 9.0398 121.1656 55.6879 42.0053 174.7688 5 V 4.8874 8.8062 122.8953 60.9763 34.2308 174.1400 6 K 5.1531 8.9173 128.6916 54.7966 35.3490 176.0687 7 T 4.7113 8.7072 117.6203 60.9107 69.7962 175.4234 8 L 4.2635 8.3222 121.0449 56.5677 41.7527 178.2434 9 T 4.1454 7.2979 107.0979 61.7074 69.3458 175.3642 10 G 4.0831 8.0996 110.2181 45.3117 0.0000 174.5156 11 K 3.9529 7.6422 118.1136 57.6925 32.9798 176.2398 12 T 5.3637 8.5415 120.2123 61.6833 72.2658 173.2171 13 I 4.8331 8.7947 118.1665 59.3059 41.0971 174.1691 14 T 4.9390 8.5087 113.7783 60.2345 70.8695 173.6921 15 L 4.7758 8.5692 123.5834 53.0106 45.8048 175.2320 16 E 4.7548 8.7460 122.9127 55.5870 30.3838 175.8929 17 V 4.6886 8.5853 117.1108 59.9177 36.5563 174.3355 18 E 4.7637 9.2014 120.5634 53.9332 32.4559 176.2077 19 P 4.2641 0.0000 0.0000 65.3489 31.5822 178.4069 20 S 4.4396 7.8636 110.5986 59.1344 63.9536 174.3308 21 D 4.4401 7.8634 122.7023 54.6736 41.3040 176.1809 22 T 4.7927 8.1482 113.0654 60.9907 71.6286 176.0143 23 I 3.7272 8.7287 123.0245 64.4894 36.9912 178.4534 24 E 3.9614 8.2540 120.2764 59.2070 29.4519 178.5354 25 N 4.2908 8.2006 116.5803 56.4622 38.6035 177.4783 26 V 3.5997 7.7356 119.4135 65.9484 31.5733 178.2026 27 K 4.2121 8.4784 119.3679 58.9110 31.8082 179.2179 28 A 4.1339 8.2435 121.1320 54.9946 18.0997 179.8983 29 K 3.9367 8.0908 117.2192 59.5490 32.1121 179.7085 30 I 3.7180 8.0978 120.6604 64.2502 36.9448 178.1909 31 Q 4.1066 8.5292 120.8370 59.4844 28.7005 178.0231 32 D 4.3802 8.1098 118.6576 57.0806 40.8521 178.3689 33 K 4.3141 7.5765 117.5149 57.4333 32.8467 177.2510 34 E 4.4849 8.6599 115.5002 55.0993 31.3813 177.0599 35 G 3.8601 8.5002 106.9728 45.4640 0.0000 173.4712 36 I 4.0222 7.4728 120.6926 59.5107 37.5750 174.1624 37 P 4.3597 0.0000 0.0000 61.9658 32.0850 175.6212 38 P 4.2925 0.0000 0.0000 65.7641 31.4929 178.4098 39 D 4.3896 8.0657 116.3266 56.2081 39.5678 177.0246 40 Q 4.4111 8.2715 117.0383 56.3832 28.8353 174.6696 41 Q 4.9035 7.9575 118.8378 54.0620 31.3214 174.4972 42 R 4.8625 9.0619 124.2770 54.5324 33.0758 173.9050 43 L 5.1646 8.5164 126.0784 53.2635 44.2961 175.3690 44 I 5.0577 9.0626 124.0944 59.4851 40.6436 174.4240 45 F 5.1078 8.8539 127.5393 56.8997 42.8272 174.4424 46 A 3.4259 9.0265 128.6120 53.1150 15.8473 178.2263 47 G 3.9031 8.1411 107.4310 46.4714 0.0000 173.9999 48 K 4.3950 7.7273 122.1538 54.7078 33.3183 175.5719 49 Q 4.3496 8.5475 125.2367 56.1511 29.3945 175.4599 50 L 4.3210 8.3268 123.1852 53.3254 43.6245 175.7703 51 E 4.5774 9.0114 122.6783 54.9183 31.2434 176.6721 52 D 4.4028 9.2296 124.6249 57.7455 41.0140 179.3630 53 G 3.7346 8.0333 104.9526 47.2671 0.0000 173.7320 54 R 4.3694 7.9650 119.8219 55.3215 31.3107 175.8670 55 T 5.5039 7.7494 109.1235 59.5616 70.8780 175.9978 56 L 4.2858 8.2631 121.1052 57.4804 42.0525 180.0197 57 S 4.3248 8.0884 113.5947 61.0762 63.2446 176.2278 58 D 4.1575 7.7814 119.9651 56.7082 40.5267 176.7365 59 Y 4.6287 7.2012 114.4595 56.8416 38.1315 174.8194 60 N 4.2051 8.1887 117.2134 54.4134 38.0333 174.1463 61 I 3.6150 8.1435 117.5680 60.5642 37.8333 175.3913 62 Q 4.6466 8.2196 125.3257 53.1937 32.0887 173.8883 63 K 4.0335 8.4237 119.4045 58.2081 32.2386 176.4150 64 E 3.9446 9.7729 124.3740 56.8233 27.9960 174.7917 65 S 4.6020 7.8162 115.6561 58.9732 64.5073 173.5292 66 T 5.1864 8.5779 117.4374 62.0630 70.7036 174.0293 67 L 4.7631 9.1881 127.4849 54.5233 43.8113 175.7363 68 H 5.3663 9.4607 118.3898 54.0380 31.7899 173.0884 69 L 5.1105 8.9050 124.7174 53.3469 43.7685 175.6844 70 V 4.5389 9.0564 126.0728 60.6117 34.9733 174.3257 71 L 4.5253 8.6198 129.0639 55.1533 42.8891 175.6985 72 R 4.5632 8.8533 127.0758 54.7649 31.4929 175.5723 73 L 4.5015 8.0743 126.5301 52.7994 43.7627 176.4432 74 R 3.9713 8.2783 118.9683 57.8428 29.4103 176.9199 75 G 3.8129 8.2922 111.4123 44.6376 0.0000 172.7595 76 G 3.4927 8.2914 114.2289 44.8571 0.0000 174.1635 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 8.16 4.43 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 2 Q 8.30 4.67 0.00 2.28 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 1.75 2.14 0.00 3 I 9.26 4.44 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.79 0.00 0.00 4 F 9.04 5.30 0.00 3.01 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 5 V 8.81 4.89 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 0.95 0.00 0.00 0.93 0.00 0.00 6 K 8.92 5.15 0.00 1.80 1.59 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.35 7.81 7 T 8.71 4.71 4.26 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 1.23 0.00 0.00 8 L 8.32 4.26 0.00 1.65 1.76 0.94 0.85 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 9 T 7.30 4.15 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 1.22 0.00 0.00 10 G 8.10 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 11 K 7.64 3.95 0.00 1.78 1.79 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.46 7.81 12 T 8.54 5.36 4.26 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 1.37 0.00 0.00 13 I 8.79 4.83 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 1.01 0.00 0.00 14 T 8.51 4.94 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 15 L 8.57 4.78 0.00 1.47 1.48 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.75 4.75 0.00 1.80 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 0.00 2.21 2.23 0.00 17 V 8.59 4.69 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.89 0.00 0.00 18 E 9.20 4.76 0.00 1.85 1.79 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 2.19 2.22 0.00 19 P 0.00 4.26 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.86 4.44 0.00 3.96 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 21 D 7.86 4.44 0.00 2.85 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.79 4.45 0.00 0.00 0.00 0.00 0.00 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 23 I 8.73 3.73 2.18 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 1.80 1.32 0.91 0.00 0.00 24 E 8.25 3.96 0.00 2.21 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 2.31 2.40 0.00 25 N 8.20 4.29 0.00 3.09 2.85 0.00 0.00 6.64 7.27 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 26 V 7.74 3.60 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 1.07 0.00 0.00 0.95 0.00 0.00 27 K 8.48 4.21 0.00 2.02 1.84 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.54 7.81 28 A 8.24 4.13 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 29 K 8.09 3.94 0.00 2.01 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.74 7.81 30 I 8.10 3.72 2.13 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 1.40 0.81 0.95 0.00 0.00 31 Q 8.53 4.11 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 32 D 8.11 4.38 0.00 2.86 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 7.58 4.31 0.00 1.79 1.85 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.61 7.81 34 E 8.66 4.48 0.00 1.92 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 2.22 2.36 0.00 35 G 8.50 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 0.00 0.00 0.00 36 I 7.47 4.02 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 0.91 0.00 0.00 37 P 0.00 4.36 0.00 2.39 1.98 0.00 3.77 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.29 0.00 2.17 2.22 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.07 4.39 0.00 2.78 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 40 Q 8.27 4.41 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 41 Q 7.96 4.90 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 42 R 9.06 4.86 0.00 1.82 1.88 0.00 3.07 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.52 5.16 0.00 1.60 1.53 0.90 0.88 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 44 I 9.06 5.06 1.92 0.00 0.00 0.85 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 1.02 0.90 0.00 0.00 45 F 8.85 5.11 0.00 2.94 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 46 A 9.03 3.43 0.76 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 47 G 8.14 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 0.00 0.00 0.00 48 K 7.73 4.40 0.00 1.79 1.83 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 49 Q 8.55 4.35 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.33 4.32 0.00 1.47 1.33 0.76 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.01 4.58 0.00 2.09 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 2.32 2.40 0.00 52 D 9.23 4.40 0.00 2.72 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 53 G 8.03 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 0.00 0.00 0.00 54 R 7.97 4.37 0.00 2.21 1.72 0.00 3.18 0.00 0.00 2.89 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 55 T 7.75 5.50 4.48 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 1.23 0.00 0.00 56 L 8.26 4.29 0.00 1.70 1.69 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.09 4.32 0.00 4.03 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 58 D 7.78 4.16 0.00 2.52 2.33 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 0.00 59 Y 7.20 4.63 0.00 3.05 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.21 0.00 2.86 3.00 0.00 0.00 7.12 8.80 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 61 I 8.14 3.62 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 -0.36 0.63 0.00 0.00 62 Q 8.22 4.65 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 63 K 8.42 4.03 0.00 1.73 1.72 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 64 E 9.77 3.94 0.00 2.12 2.36 0.00 0.00 0.00 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 2.50 0.00 65 S 7.82 4.60 0.00 3.81 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 66 T 8.58 5.19 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 67 L 9.19 4.76 0.00 1.57 1.60 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.46 5.37 0.00 3.02 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.91 5.11 0.00 1.57 1.56 0.93 0.92 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 70 V 9.06 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 0.97 0.00 0.00 0.94 0.00 0.00 71 L 8.62 4.53 0.00 1.68 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.85 4.56 0.00 1.85 1.92 0.00 3.30 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 73 L 8.07 4.50 0.00 1.86 1.59 0.92 1.25 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 74 R 8.28 3.97 0.00 1.80 1.90 0.00 3.40 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 75 G 8.29 3.81 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 0.00 0.00 0.00 76 G 8.29 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00