NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5226 8.2493 122.4515 52.3853 20.2642 175.1948 2 R 4.2135 8.0768 114.3471 55.0298 32.9952 170.4576 3 E 5.0295 8.4065 119.3573 55.3331 31.7502 177.4325 4 V 4.6749 8.8080 121.8277 60.1158 35.3531 174.2056 5 I 4.8535 8.9243 124.4445 60.0424 39.2973 174.5010 6 L 5.0205 8.7930 127.3620 52.7341 43.6786 175.7630 7 A 4.3871 8.8086 127.4889 51.8053 19.4882 176.1906 8 V 4.4982 8.5701 123.0115 61.3243 34.1747 174.5663 9 H 4.7353 9.6191 124.3609 55.4026 32.5718 173.3813 10 G 4.3115 9.6589 115.2485 46.2194 0.0000 174.1308 11 M 3.7689 7.2382 117.6210 55.7729 31.1857 176.9607 12 T 4.5808 8.1066 115.0894 63.1183 71.2585 173.3270 13 C 4.8419 7.6659 116.4882 55.5440 34.1569 174.5928 14 S 4.0628 8.6756 116.9168 61.9316 62.3239 176.7863 15 A 4.0388 8.0448 122.6088 55.4692 18.0782 179.4050 16 C 4.2620 7.9784 114.6887 63.3600 28.4014 176.3359 17 T 3.9897 8.0818 111.5259 64.5524 68.0946 175.9886 18 N 4.2443 8.7434 120.3159 56.9431 38.8706 176.6329 19 T 3.9297 7.9611 116.2069 67.4773 68.8953 175.9055 20 I 3.9126 8.3506 122.0997 64.1845 37.0425 177.9937 21 N 4.3199 8.7629 117.9421 56.4406 36.8557 177.0927 22 T 3.8740 8.0013 117.4783 66.7486 68.8159 176.0912 23 Q 4.1358 8.1470 119.4467 58.9620 28.7363 178.4739 24 L 3.9580 8.0126 119.5282 58.1725 41.4607 179.3159 25 R 3.9540 8.0999 116.9697 58.8535 29.8618 177.2786 26 A 4.7173 7.7588 118.3639 49.9893 20.0794 176.9477 27 L 3.9538 8.0657 123.7672 57.3566 39.6277 177.1222 28 K 4.7064 9.0457 124.7653 57.8271 40.3500 176.3422 29 G 4.2094 7.8406 105.4711 46.5777 0.0000 172.4009 30 V 4.8314 7.8182 120.1795 61.4517 32.8809 175.1673 31 T 4.3353 9.2237 125.7314 65.6056 69.4239 175.0296 32 K 4.6702 7.6783 120.0137 55.4667 36.5153 174.9337 33 C 4.9412 8.2284 121.7812 58.9844 34.0850 172.8976 34 D 4.7837 9.2812 127.5333 52.6326 43.4833 175.0417 35 I 4.5177 8.3464 123.8990 59.8992 39.9177 174.7922 36 S 4.5824 8.5334 121.1107 56.5083 65.1139 174.3451 37 L 4.3093 8.7672 125.7842 55.6862 41.5488 178.0971 38 V 3.8771 7.5883 119.6612 65.5124 31.8267 177.4960 39 T 3.9949 7.7386 108.9352 62.4018 69.5485 173.8268 40 N 4.2322 7.9900 119.3515 54.5710 36.4077 172.9249 41 E 5.1203 7.7329 113.9116 54.6696 34.1721 174.3421 42 C 4.8934 9.0060 121.4676 57.8358 33.7658 172.0017 43 Q 5.1407 8.8905 128.1293 54.6270 30.7224 174.5318 44 V 4.8946 8.6786 125.0166 60.3265 35.4366 174.3722 45 T 4.9299 8.9986 121.2806 62.3418 70.0308 173.3182 46 Y 4.7873 8.5319 124.9019 55.9283 41.0622 174.4267 47 D 4.5268 9.4698 120.5711 55.6908 40.0606 176.4038 48 N 5.2247 8.4573 114.0482 55.1103 44.7704 175.7605 49 E 4.0589 8.4919 115.8137 58.5691 29.7000 177.6849 50 V 4.3296 7.6762 116.7113 60.6798 34.1202 174.7335 51 T 3.4235 7.7886 115.5302 58.6823 73.0640 174.5359 52 A 3.8220 7.8748 122.0589 55.3936 18.0616 179.1795 53 D 4.1541 7.8475 116.1508 57.5209 41.3406 178.1118 54 S 4.0125 7.8084 112.7661 61.4250 62.5079 175.7578 55 I 3.6327 7.7911 122.6820 64.4857 36.9143 177.7680 56 K 3.8069 8.2688 120.4568 59.8064 31.9169 177.8604 57 E 3.8550 7.9253 118.3847 59.4065 29.6390 178.4426 58 I 3.6568 7.9642 120.1247 64.9370 37.0397 178.4330 59 I 3.8630 7.9473 119.0742 64.2329 37.0886 178.1682 60 E 4.3594 8.7434 121.1507 59.0708 29.1670 178.6161 61 D 4.2539 8.2370 116.8988 57.8760 41.2339 177.7207 62 C 3.9349 7.8225 116.0964 62.2941 28.5751 173.2614 63 G 3.2185 6.4534 108.7944 45.0701 0.0000 172.3922 64 F 5.0363 7.6045 117.5301 56.3146 44.7599 173.4764 65 D 5.3269 9.2583 119.7673 53.1790 42.5136 175.8019 66 C 5.3574 8.6227 117.3303 56.8387 33.4798 173.0022 67 E 4.7247 9.1299 117.7610 54.4933 34.2198 174.5096 68 I 3.9982 8.5105 122.7720 61.6870 37.9515 175.4019 69 L 4.1515 8.7314 130.9466 56.7412 42.4491 176.7438 70 R 4.2879 7.1325 111.9474 55.4627 31.1091 173.1895 71 D 4.7632 8.6262 118.9210 55.9231 40.1269 176.9496 72 S 4.3940 8.7484 118.1753 58.4243 63.2203 169.1199 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 A 8.25 4.52 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.21 0.00 1.68 1.81 0.00 2.60 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.13 0.00 3 E 8.41 5.03 0.00 1.82 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 2.41 2.34 0.00 4 V 8.81 4.67 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 1.05 0.00 0.00 1.08 0.00 0.00 5 I 8.92 4.85 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 1.22 0.86 0.97 0.00 0.00 6 L 8.79 5.02 0.00 1.53 1.58 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.81 4.39 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 8 V 8.57 4.50 1.97 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 0.76 0.00 0.00 0.93 0.00 0.00 9 H 9.62 4.74 0.00 3.14 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 9.66 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 0.00 0.00 0.00 0.00 11 M 7.24 3.77 0.00 0.51 1.55 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 12 T 8.11 4.58 4.22 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 1.20 0.00 0.00 13 C 7.67 4.84 0.00 3.08 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 14 S 8.68 4.06 0.00 3.88 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 15 A 8.04 4.04 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 16 C 7.98 4.26 0.00 3.06 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.08 3.99 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 1.13 0.00 0.00 18 N 8.74 4.24 0.00 2.91 3.02 0.00 0.00 7.08 7.25 0.00 0.00 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 7.96 3.93 4.62 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 1.30 0.00 0.00 20 I 8.35 3.91 2.02 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.02 0.94 0.00 0.00 21 N 8.76 4.32 0.00 2.99 3.10 0.00 0.00 7.37 8.19 0.00 0.00 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 8.00 3.87 4.49 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 1.22 0.00 0.00 23 Q 8.15 4.14 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 24 L 8.01 3.96 0.00 1.87 1.76 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.10 3.95 0.00 2.04 1.99 0.00 3.30 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 26 A 7.76 4.72 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 27 L 8.07 3.95 0.00 1.64 1.34 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.05 4.71 0.00 1.67 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.44 7.81 29 G 7.84 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 0.00 0.00 0.00 0.00 30 V 7.82 4.83 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.02 0.00 0.00 31 T 9.22 4.34 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 1.21 0.00 0.00 32 K 7.68 4.67 0.00 1.78 1.58 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.43 7.81 33 C 8.23 4.94 0.00 3.00 2.78 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 0.00 0.00 0.00 34 D 9.28 4.78 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 4.52 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.96 0.00 0.00 36 S 8.53 4.58 0.00 3.89 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 37 L 8.77 4.31 0.00 1.65 1.65 0.90 0.87 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 38 V 7.59 3.88 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 0.86 0.00 0.00 0.92 0.00 0.00 39 T 7.74 3.99 4.25 0.00 0.00 0.00 0.00 0.00 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 40 N 7.99 4.23 0.00 2.94 3.11 0.00 0.00 6.29 8.06 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 41 E 7.73 5.12 0.00 2.10 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 2.22 2.26 0.00 42 C 9.01 4.89 0.00 2.95 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 43 Q 8.89 5.14 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 44 V 8.68 4.89 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.02 0.00 0.00 45 T 9.00 4.93 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 46 Y 8.53 4.79 0.00 3.27 3.03 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 0.00 0.00 0.00 0.00 47 D 9.47 4.53 0.00 2.72 2.58 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 0.00 0.00 0.00 0.00 48 N 8.46 5.22 0.00 2.75 2.82 0.00 0.00 6.97 7.72 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 49 E 8.49 4.06 0.00 1.98 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 2.34 2.35 0.00 50 V 7.68 4.33 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 0.75 0.00 0.00 0.92 0.00 0.00 51 T 7.79 3.42 3.91 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 1.08 0.00 0.00 52 A 7.87 3.82 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 53 D 7.85 4.15 0.00 2.74 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 54 S 7.81 4.01 0.00 3.87 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 55 I 7.79 3.63 1.91 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 1.40 0.44 0.91 0.00 0.00 56 K 8.27 3.81 0.00 1.78 2.05 0.00 1.88 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.50 7.81 57 E 7.93 3.85 0.00 2.20 2.05 0.00 0.00 0.00 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 58 I 7.96 3.66 2.03 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 1.71 1.01 0.92 0.00 0.00 59 I 7.95 3.86 2.14 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.59 1.00 0.00 0.00 60 E 8.74 4.36 0.00 2.13 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 2.36 2.38 0.00 61 D 8.24 4.25 0.00 2.61 2.86 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 62 C 7.82 3.93 0.00 3.18 2.95 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 63 G 6.45 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 0.00 0.00 0.00 64 F 7.60 5.04 0.00 2.93 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 65 D 9.26 5.33 0.00 2.73 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 66 C 8.62 5.36 0.00 3.06 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 67 E 9.13 4.72 0.00 1.91 1.83 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 2.24 2.28 0.00 68 I 8.51 4.00 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.92 0.00 0.00 69 L 8.73 4.15 0.00 1.65 1.76 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.13 4.29 0.00 1.98 1.98 0.00 3.18 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 71 D 8.63 4.76 0.00 2.68 2.86 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 72 S 8.75 4.39 0.00 4.12 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 0.00