NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4147 8.2893 118.1918 54.8935 31.8510 175.4014 2 P 4.3974 0.0000 0.0000 61.7516 30.3030 175.2461 3 Q 4.1670 8.7265 123.0920 59.1386 30.3028 179.1619 4 K 4.5757 7.4739 113.7081 54.9701 36.3677 176.0186 5 D 4.4580 8.1937 120.3923 51.6967 41.8940 173.8161 6 P 4.3567 0.0000 0.0000 64.7689 31.7168 178.2691 7 C 4.6438 7.7943 112.8573 57.2940 42.7286 175.4434 8 Q 3.8066 8.0372 120.7176 58.9950 28.3185 178.3137 9 K 3.8791 7.9283 119.9696 59.6713 32.3058 178.7003 10 Q 3.8906 7.8768 117.4943 58.9094 28.7141 178.0839 11 A 3.8977 8.1833 122.1887 55.4052 18.2180 179.2901 12 C 4.1209 8.1422 116.9267 62.8465 31.7238 175.7620 13 E 4.0869 8.3351 120.1271 59.1307 28.9034 179.3705 14 I 3.6983 7.8915 120.2114 64.5955 37.2626 178.2957 15 Q 4.0164 7.6637 117.1062 58.9983 28.5021 179.2007 16 K 4.0072 8.4717 119.8647 59.5535 31.9731 178.4007 17 C 4.1821 8.7176 119.0907 59.7791 38.9653 175.5790 18 L 4.1044 8.0389 120.3270 58.1788 41.2700 179.6249 19 Q 4.0809 8.2419 117.5290 58.9075 28.5201 178.4721 20 A 4.2607 8.2023 120.0647 53.8639 18.7200 177.5564 21 N 4.8506 7.4596 113.4765 51.8106 40.2271 174.6735 22 S 3.1255 8.4695 112.4520 59.7979 60.9093 172.7780 23 Y 4.0423 8.3800 113.4014 59.5008 36.1073 172.3134 24 M 4.4695 7.6532 121.9890 54.4687 28.8201 176.2368 25 E 3.9714 8.4100 123.3509 58.8230 29.8688 177.7465 26 S 4.1544 8.1674 114.1541 61.9003 62.9929 176.2812 27 K 4.2000 8.3342 121.1774 59.4299 31.9234 178.1773 28 C 4.7150 7.9735 113.9372 57.8220 39.3252 175.1298 29 Q 3.8670 7.9631 121.5269 59.1301 28.3722 178.8408 30 A 4.0238 7.7263 120.4410 55.2473 18.4779 179.9699 31 V 3.7625 7.6631 116.7881 64.3164 31.9436 178.4655 32 I 3.8364 8.0686 120.9837 64.5504 37.0575 178.0655 33 Q 4.2163 8.5464 120.0000 58.4538 28.7818 177.8674 34 E 4.0471 7.9969 120.2954 59.4450 29.7790 178.2865 35 L 3.7363 7.8765 118.9941 57.6940 41.4182 179.5164 36 R 4.2143 7.9167 118.1207 59.6793 29.9341 178.7502 37 K 4.0784 7.5569 115.8210 59.3981 32.4235 178.3827 38 C 4.4182 8.2796 118.7916 59.7989 43.0893 174.8707 39 C 4.3051 8.5252 120.5858 59.7942 43.3212 174.8754 40 A 4.1269 8.3478 119.0818 53.2054 17.7695 177.8894 41 Q 3.8012 7.4534 116.9395 57.8325 29.1316 174.8931 42 Y 4.9840 7.5256 113.7220 55.7578 42.5028 172.6487 43 P 4.5302 0.0000 0.0000 62.1974 32.3306 177.4585 44 K 3.8598 9.0513 120.9488 60.1676 32.2961 178.9356 45 G 3.7252 8.0861 106.9501 47.4810 0.0000 174.4498 46 R 4.0212 8.0219 116.0842 58.2114 30.0852 177.3170 47 S 4.6407 8.1073 112.7230 55.6469 66.6007 174.6042 48 V 3.5447 8.5724 128.8615 66.3413 31.7684 178.7375 49 V 3.7882 7.8030 111.6963 64.6161 31.4221 179.0095 50 C 4.4930 8.2631 118.1360 59.6798 41.6594 175.7919 51 S 4.1316 8.1682 117.0409 61.2935 62.3524 176.7664 52 G 3.8781 8.1764 108.7842 47.4624 0.0000 175.5959 53 F 3.9021 8.0882 122.3918 60.9614 39.3267 177.2426 54 E 4.0338 8.7714 118.4828 58.6072 29.1143 179.0721 55 K 3.8832 7.6301 117.3450 59.0063 32.7980 178.7838 56 E 3.7663 7.8953 119.4209 59.5983 28.9427 178.8490 57 E 3.7769 7.4750 119.1663 58.6377 29.8286 178.2753 58 E 4.0032 7.5721 119.1539 59.3528 29.8505 178.2412 59 E 3.8717 8.3087 119.4864 59.5706 29.5126 178.5419 60 N 4.4000 8.4514 116.5916 55.6283 38.2937 176.8892 61 L 4.2948 8.0429 122.3427 57.9424 40.2337 179.1618 62 T 3.9305 7.5915 110.5992 64.8825 68.7729 176.0007 63 R 3.9860 7.8411 121.4576 56.7455 30.8540 175.4391 64 K 4.5142 7.5645 120.2330 55.1082 35.4435 176.2838 65 S 4.1493 8.4486 120.5187 60.7919 63.0302 173.5565 66 A 4.8323 7.3341 121.6738 50.2990 18.8007 175.6201 67 S 4.6864 8.0480 116.1120 57.6467 63.6088 174.1519 68 K 4.1958 8.0232 123.4890 56.1618 32.9131 176.2266 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 8.29 4.41 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 P 0.00 4.40 0.00 2.26 2.11 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 3 Q 8.73 4.17 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.69 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 4 K 7.47 4.58 0.00 1.62 1.58 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.39 7.81 5 D 8.19 4.46 0.00 2.54 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.36 0.00 2.08 2.16 0.00 3.40 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.89 0.00 7 C 7.79 4.64 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 3.81 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 9 K 7.93 3.88 0.00 1.84 1.77 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.52 7.81 10 Q 7.88 3.89 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 11 A 8.18 3.90 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.14 4.12 0.00 3.14 3.04 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 0.00 13 E 8.34 4.09 0.00 2.19 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 2.33 2.44 0.00 14 I 7.89 3.70 2.07 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.65 0.96 0.00 0.00 15 Q 7.66 4.02 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 16 K 8.47 4.01 0.00 1.75 1.88 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.60 7.81 17 C 8.72 4.18 0.00 3.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.04 4.10 0.00 2.15 1.96 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.24 4.08 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.64 0.00 0.00 0.00 0.00 0.00 2.81 2.63 0.00 20 A 8.20 4.26 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 21 N 7.46 4.85 0.00 2.80 2.77 0.00 0.00 7.33 6.99 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 22 S 8.47 3.13 0.00 3.81 3.64 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 23 Y 8.38 4.04 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 24 M 7.65 4.47 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.55 0.00 25 E 8.41 3.97 0.00 2.08 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 2.42 2.46 0.00 26 S 8.17 4.15 0.00 3.89 3.95 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 0.00 0.00 0.00 27 K 8.33 4.20 0.00 1.89 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 28 C 7.97 4.72 0.00 3.01 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 29 Q 7.96 3.87 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 30 A 7.73 4.02 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 31 V 7.66 3.76 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 0.91 0.00 0.00 1.01 0.00 0.00 32 I 8.07 3.84 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 1.15 0.00 0.00 33 Q 8.55 4.22 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 34 E 8.00 4.05 0.00 2.11 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 2.29 2.34 0.00 35 L 7.88 3.74 0.00 1.39 0.13 0.33 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.92 4.21 0.00 2.31 2.08 0.00 3.43 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 37 K 7.56 4.08 0.00 1.92 1.85 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.67 7.81 38 C 8.28 4.42 0.00 3.00 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 39 C 8.53 4.31 0.00 3.15 3.44 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 0.00 40 A 8.35 4.13 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 41 Q 7.45 3.80 0.00 1.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.58 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 42 Y 7.53 4.98 0.00 3.09 2.76 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 43 P 0.00 4.53 0.00 2.26 2.22 0.00 3.92 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 2.13 2.01 0.00 44 K 9.05 3.86 0.00 2.05 2.35 0.00 1.42 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.56 7.81 45 G 8.09 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 46 R 8.02 4.02 0.00 1.80 2.17 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 0.00 47 S 8.11 4.64 0.00 3.75 3.62 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 48 V 8.57 3.54 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 0.98 0.00 0.00 0.96 0.00 0.00 49 V 7.80 3.79 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 0.79 0.00 0.00 0.94 0.00 0.00 50 C 8.26 4.49 0.00 3.04 3.12 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 0.00 0.00 0.00 51 S 8.17 4.13 0.00 4.17 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 52 G 8.18 3.88 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 0.00 0.00 0.00 53 F 8.09 3.90 0.00 3.44 3.26 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 54 E 8.77 4.03 0.00 2.07 2.01 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 2.42 2.54 0.00 55 K 7.63 3.88 0.00 1.99 2.06 0.00 1.20 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.63 7.81 56 E 7.90 3.77 0.00 1.98 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 1.47 1.88 0.00 57 E 7.48 3.78 0.00 1.86 2.06 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 2.28 2.26 0.00 58 E 7.57 4.00 0.00 1.92 2.06 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 2.29 2.33 0.00 59 E 8.31 3.87 0.00 2.02 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 0.00 2.28 2.34 0.00 60 N 8.45 4.40 0.00 2.96 2.82 0.00 0.00 6.80 7.58 0.00 0.00 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 L 8.04 4.29 0.00 1.77 1.85 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.59 3.93 4.23 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 1.23 0.00 0.00 63 R 7.84 3.99 0.00 1.81 2.07 0.00 3.45 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 64 K 7.56 4.51 0.00 1.92 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.13 7.81 65 S 8.45 4.15 0.00 3.87 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 66 A 7.33 4.83 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 67 S 8.05 4.69 0.00 3.77 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 68 K 8.02 4.20 0.00 1.71 1.61 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.40 7.81