NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.3946 0.0000 0.0000 62.4148 32.5872 176.6262 11 Y 3.8860 8.8881 119.8426 58.1275 38.1892 174.2643 12 H 4.8915 7.5088 115.2566 52.9541 31.4129 172.8759 13 P 4.4382 0.0000 0.0000 63.1112 31.8208 175.6176 14 S 4.9308 8.1850 115.1210 56.7851 64.7831 173.6189 15 E 4.3888 8.6084 121.9202 56.4994 30.6091 176.4715 16 C 5.0404 8.5594 119.8939 55.2954 44.5394 174.0030 17 C 4.6629 8.3731 118.7007 55.5233 41.1522 173.8357 18 F 4.4719 8.4863 122.7181 57.6643 40.3204 175.7925 19 T 4.4230 7.3805 108.5937 59.8615 71.6383 172.4948 20 Y 5.0691 7.8540 119.7916 56.0559 40.6427 175.8310 21 T 3.7432 8.7142 118.3167 62.6336 67.7955 174.3793 22 T 4.3626 8.1000 116.7396 61.9860 69.8579 174.0406 23 Y 4.7015 6.8537 120.0950 54.9947 40.1645 174.8323 24 K 2.7073 8.0566 122.4697 54.0959 33.0095 176.2058 25 I 3.7838 6.9368 127.8046 60.1719 37.8603 174.1755 26 P 4.1755 0.0000 0.0000 62.9187 32.0842 176.7673 27 R 3.2379 8.9558 123.4347 59.5872 29.7997 178.0614 28 Q 4.1135 7.9068 113.6306 57.7540 29.0017 176.7670 29 R 4.4091 7.9930 116.7950 55.8237 30.6042 175.4261 30 I 4.6964 7.3599 119.7785 60.3319 38.4149 175.2191 31 M 4.4946 8.7464 124.6421 56.9918 33.8085 175.2479 32 D 4.8717 8.0304 115.9932 54.2024 45.0668 173.2780 33 Y 5.4512 8.2654 118.3450 56.6978 41.0516 173.0369 34 Y 4.7165 8.2307 116.8397 55.8314 41.6950 173.4326 35 E 4.9543 8.7646 118.8709 55.2973 31.3779 176.0622 36 T 4.3195 8.2760 112.5321 61.1115 70.1793 173.6554 37 N 4.2155 8.1816 121.3113 54.1488 39.1552 175.9960 38 S 4.2068 8.6988 119.7871 60.7603 63.1676 175.2525 39 Q 4.1424 8.3045 119.5434 57.8924 28.8163 175.9827 40 C 4.4598 7.9793 116.0066 56.7770 40.6993 174.2311 41 S 4.1110 8.5947 116.7991 60.1696 63.1326 174.6133 42 K 4.6817 7.5044 118.6820 53.4792 34.8509 174.1352 43 P 4.5107 0.0000 0.0000 62.9398 32.2444 176.0389 44 G 4.2642 8.1377 105.4740 45.3358 0.0000 171.8665 45 I 4.6946 8.2971 124.8025 59.1338 40.0290 174.6899 46 V 4.3294 8.1988 128.1424 61.6608 32.9162 174.6220 47 F 5.4468 8.9436 127.0875 56.3497 41.3668 174.9068 48 I 5.1718 8.9765 124.2879 59.9122 39.2485 175.8383 49 T 4.8603 8.8904 118.4510 60.5370 70.2550 176.1935 50 K 3.9425 8.6608 121.2187 59.3857 32.0158 178.7078 51 R 4.0403 7.9136 115.3950 56.4459 30.2410 177.1340 52 G 3.9395 8.3165 106.7017 45.8535 0.0000 173.4308 53 H 4.8450 7.8547 116.3755 55.3274 30.4324 174.3391 54 S 5.2953 8.6843 116.9110 56.9825 64.9282 173.7942 55 V 4.5006 8.6636 124.0556 61.0788 34.6142 173.8758 56 C 4.9969 8.9442 126.1749 57.3015 42.0752 172.8225 57 T 5.0094 8.6579 112.8776 59.8369 72.7277 172.6614 58 N 3.5898 8.0068 121.2921 51.5327 38.9989 174.2106 59 P 3.9905 0.0000 0.0000 64.9674 31.5412 177.7681 60 S 4.1853 8.2182 113.7710 60.1066 63.3754 174.8662 61 D 4.4706 7.6664 122.0920 53.2100 42.2800 176.8854 62 K 3.8314 8.6033 125.2140 59.4192 32.3777 178.8935 63 W 4.1560 8.2463 116.4711 59.5927 27.6619 178.0129 64 V 2.9263 6.4199 118.2988 65.6727 30.8621 177.8580 65 Q 3.8537 7.5386 117.2684 59.0227 28.5797 178.6397 66 D 4.4257 8.4708 120.3152 57.6555 40.8827 178.4894 67 Y 4.2946 8.7106 117.6690 61.0774 37.7468 178.5588 68 I 3.3879 8.0672 121.0064 64.1536 36.9566 178.2918 69 K 3.8809 7.8408 119.2599 59.5798 31.9802 178.0055 70 D 4.4670 8.0545 117.8233 57.5630 41.0260 177.8428 71 M 4.2941 7.9523 117.1754 57.2426 32.2227 178.2647 72 K 4.1565 8.3537 118.3554 56.8547 32.3755 176.4710 73 E 4.1720 7.7023 124.2240 56.5726 31.1438 173.5626 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 10 P 0.00 4.39 0.00 1.97 1.53 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.06 0.00 11 Y 8.89 3.89 0.00 2.98 3.07 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 0.00 0.00 0.00 0.00 12 H 7.51 4.89 0.00 3.24 3.35 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.44 0.00 2.23 2.12 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 14 S 8.18 4.93 0.00 3.74 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 15 E 8.61 4.39 0.00 2.12 1.96 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 0.00 2.58 2.48 0.00 16 C 8.56 5.04 0.00 2.24 2.31 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 17 C 8.37 4.66 0.00 2.90 2.92 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 18 F 8.49 4.47 0.00 2.99 2.92 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 19 T 7.38 4.42 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 1.18 0.00 0.00 20 Y 7.85 5.07 0.00 2.98 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 21 T 8.71 3.74 4.04 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 0.00 0.00 1.51 0.00 0.00 22 T 8.10 4.36 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 1.24 0.00 0.00 23 Y 6.85 4.70 0.00 2.88 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 24 K 8.06 2.71 0.00 0.79 1.22 0.00 1.35 0.00 0.00 1.38 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.57 0.21 7.81 25 I 6.94 3.78 2.03 0.00 0.00 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 1.83 1.28 0.97 0.00 0.00 26 P 0.00 4.18 0.00 2.11 1.95 0.00 3.53 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 27 R 8.96 3.24 0.00 1.41 1.74 0.00 2.43 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.00 28 Q 7.91 4.11 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 29 R 7.99 4.41 0.00 1.94 1.92 0.00 3.24 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 30 I 7.36 4.70 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.37 1.02 0.00 0.00 31 M 8.75 4.49 0.00 1.93 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 32 D 8.03 4.87 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 5.45 0.00 2.78 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 34 Y 8.23 4.72 0.00 3.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.76 4.95 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 36 T 8.28 4.32 4.39 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 1.20 0.00 0.00 37 N 8.18 4.22 0.00 2.92 2.75 0.00 0.00 7.32 7.51 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 38 S 8.70 4.21 0.00 4.01 3.99 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 39 Q 8.30 4.14 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 40 C 7.98 4.46 0.00 2.95 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 41 S 8.59 4.11 0.00 4.03 4.06 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 42 K 7.50 4.68 0.00 1.76 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.43 7.81 43 P 0.00 4.51 0.00 1.99 1.95 0.00 3.79 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 2.02 2.07 0.00 44 G 8.14 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 0.00 0.00 0.00 0.00 45 I 8.30 4.69 1.36 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.78 0.05 0.00 0.00 46 V 8.20 4.33 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 0.82 0.00 0.00 0.73 0.00 0.00 47 F 8.94 5.45 0.00 3.18 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.98 5.17 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.29 1.06 0.00 0.00 49 T 8.89 4.86 4.38 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 1.36 0.00 0.00 50 K 8.66 3.94 0.00 1.78 1.92 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.42 7.81 51 R 7.91 4.04 0.00 1.61 1.75 0.00 3.23 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 52 G 8.32 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 53 H 7.85 4.84 0.00 3.19 3.29 0.00 5.60 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 54 S 8.68 5.30 0.00 3.83 3.87 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 55 V 8.66 4.50 2.37 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 1.28 0.00 0.00 1.16 0.00 0.00 56 C 8.94 5.00 0.00 3.00 3.16 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 57 T 8.66 5.01 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 1.55 0.00 0.00 58 N 8.01 3.59 0.00 1.77 2.44 0.00 0.00 6.95 7.71 0.00 0.00 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 P 0.00 3.99 0.00 1.90 1.90 0.00 3.33 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 60 S 8.22 4.19 0.00 3.82 3.82 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 61 D 7.67 4.47 0.00 2.28 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 62 K 8.60 3.83 0.00 1.82 1.85 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.51 7.81 63 W 8.25 4.16 0.00 3.09 3.08 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 64 V 6.42 2.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 -0.59 0.00 0.00 65 Q 7.54 3.85 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 66 D 8.47 4.43 0.00 2.94 2.88 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 0.00 0.00 0.00 0.00 67 Y 8.71 4.29 0.00 3.12 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 68 I 8.07 3.39 1.68 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.41 0.70 0.00 0.00 69 K 7.84 3.88 0.00 1.98 2.00 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 70 D 8.05 4.47 0.00 2.96 2.83 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 0.00 0.00 0.00 71 M 7.95 4.29 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.66 0.00 72 K 8.35 4.16 0.00 1.76 1.93 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.63 1.67 7.81 73 E 7.70 4.17 0.00 2.11 1.96 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 0.00 2.23 2.30 0.00