NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4322 8.3044 120.3266 55.3460 33.2338 175.6591 2 E 4.7522 7.8782 118.7929 56.4244 30.4231 175.6328 3 D 4.4593 7.8864 117.5141 56.1560 42.2036 175.4206 4 E 3.9493 7.4635 117.4593 56.9177 29.5311 174.4341 5 D 4.7771 8.4866 119.0082 53.8925 41.6367 172.9193 6 V 4.2767 8.0273 123.0118 60.2957 33.0443 173.8987 7 P 4.6316 0.0000 0.0000 62.7360 32.9607 175.0108 8 V 4.7681 7.9881 119.5780 60.7814 34.5287 174.5280 9 C 4.6157 9.3606 128.3310 58.6733 31.7434 174.4284 10 W 4.2947 9.0187 123.9948 58.7110 28.1256 177.4977 11 I 3.0338 6.3047 119.9836 63.5319 36.6385 176.4242 12 C 4.2338 7.4738 111.1375 57.1210 30.6438 172.8150 13 N 4.2022 8.0235 117.1388 54.2814 35.8268 173.8614 14 E 4.6503 7.3412 117.8258 53.9549 33.4432 174.0742 15 E 4.5260 8.9294 125.7356 56.7387 30.3310 176.5980 16 L 4.5870 8.8397 122.4051 54.7349 42.5633 178.5629 17 G 4.2423 8.3955 108.9353 44.6283 0.0000 173.2510 18 N 5.0403 7.4112 124.7059 52.9876 40.0165 174.5196 19 E 3.8655 8.4129 121.0088 57.3656 29.3906 176.3515 20 R 4.0284 8.4305 123.8751 56.7220 28.1261 176.0834 21 F 4.8540 8.1997 126.5610 57.3065 40.2132 174.3423 22 R 4.0425 8.7736 127.4090 55.9449 28.3893 176.4027 23 A 5.2905 7.7377 123.3251 49.9924 20.5139 175.1014 24 C 4.7315 6.9100 115.7366 59.4248 34.2529 173.0208 25 G 4.2572 8.0869 108.7016 44.5777 0.0000 172.2162 26 C 4.4663 7.6084 116.7969 59.4706 30.2779 175.1938 27 T 4.7216 8.4244 114.9371 61.8931 69.9919 173.8634 28 G 3.9327 7.5625 113.1851 44.6653 0.0000 174.6072 29 E 3.9552 9.0576 116.9471 59.3596 29.7024 179.0778 30 L 3.5044 7.8430 119.9301 57.7237 42.0268 177.5516 31 E 4.0098 8.1320 117.8990 58.5302 29.7072 176.5850 32 N 5.1619 8.6377 116.9948 51.1505 40.8833 173.8382 33 V 4.4550 8.0558 121.4884 60.1331 34.6085 173.9758 34 H 4.3904 8.5142 120.1213 55.9100 29.3027 176.6731 35 R 3.5390 8.7221 124.0883 58.6914 30.1018 178.5244 36 S 4.0367 7.9958 114.5000 61.8920 62.9027 175.9243 37 C 4.2782 7.8609 116.3761 60.6445 29.6912 175.3284 38 L 3.9362 7.9212 123.3221 58.0495 41.4032 178.3792 39 S 4.1322 7.9478 112.5194 62.0419 62.1648 176.3626 40 T 3.9343 7.6557 114.1170 64.5218 66.9766 176.1060 41 W 4.1052 8.5004 131.1258 60.4676 30.7132 177.7375 42 L 2.5290 8.4657 119.9719 59.0435 39.6882 179.4543 43 T 3.6891 7.4256 115.7249 66.4168 68.1283 176.7689 44 I 3.8060 7.5110 120.9558 64.1289 37.3805 177.8045 45 S 4.0331 8.2549 112.3237 57.7576 63.5941 172.7659 46 R 3.6426 6.9743 118.7451 57.4622 27.7329 174.7767 47 N 5.1980 8.9758 116.2948 51.7080 43.1221 174.9242 48 T 4.9380 8.6475 109.0023 61.9131 71.7390 173.3062 49 A 3.8357 7.6437 121.1420 49.3791 22.8726 175.4243 50 C 4.6694 9.2740 121.2640 59.2848 32.3645 174.2489 51 Q 4.3413 8.9837 122.9771 56.6736 28.7978 176.2830 52 I 4.1174 7.6663 120.1587 62.9403 38.0166 176.1900 53 C 4.6189 8.1342 111.4756 57.2570 31.2790 174.0865 54 G 3.7631 8.1315 108.2321 46.0963 0.0000 173.1265 55 V 4.2249 7.4030 118.0506 60.2282 33.5292 175.1385 56 V 3.5203 7.9268 125.9491 62.7449 32.4487 175.6484 57 Y 4.5294 8.4475 122.9247 59.1123 38.2842 174.9562 58 N 4.2393 8.1906 114.4477 54.2371 35.5913 172.9805 59 T 4.6025 7.6341 108.0580 59.5106 71.4386 176.0979 60 R 4.0933 8.3607 121.0297 56.7763 30.0340 176.6653 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 8.30 4.43 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 E 7.88 4.75 0.00 2.08 1.92 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 2.35 2.35 0.00 3 D 7.89 4.46 0.00 2.69 2.71 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 0.00 0.00 0.00 0.00 4 E 7.46 3.95 0.00 2.15 2.16 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 2.42 2.28 0.00 5 D 8.49 4.78 0.00 2.84 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 6 V 8.03 4.28 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 1.02 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.63 0.00 2.16 2.17 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 8 V 7.99 4.77 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 1.04 0.00 0.00 1.04 0.00 0.00 9 C 9.36 4.62 0.00 2.73 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 10 W 9.02 4.29 0.00 3.59 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 11 I 6.30 3.03 1.06 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.02 0.00 0.00 12 C 7.47 4.23 0.00 2.97 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 13 N 8.02 4.20 0.00 2.82 2.87 0.00 0.00 6.59 7.76 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 14 E 7.34 4.65 0.00 1.91 1.76 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 2.32 2.32 0.00 15 E 8.93 4.53 0.00 1.99 1.89 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 2.32 2.68 0.00 16 L 8.84 4.59 0.00 1.75 1.52 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.40 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 0.00 0.00 0.00 18 N 7.41 5.04 0.00 2.91 2.93 0.00 0.00 6.95 6.96 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 19 E 8.41 3.87 0.00 1.98 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 2.41 2.46 0.00 20 R 8.43 4.03 0.00 2.00 2.04 0.00 3.18 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 21 F 8.20 4.85 0.00 2.88 3.02 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 0.00 0.00 0.00 22 R 8.77 4.04 0.00 1.94 1.96 0.00 3.23 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 23 A 7.74 5.29 0.22 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 24 C 6.91 4.73 0.00 2.96 2.82 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 25 G 8.09 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 26 C 7.61 4.47 0.00 2.86 2.82 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 27 T 8.42 4.72 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 1.19 0.00 0.00 28 G 7.56 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 29 E 9.06 3.96 0.00 2.31 2.29 0.00 0.00 0.00 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 2.28 0.00 30 L 7.84 3.50 0.00 1.18 1.52 0.83 -1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.13 4.01 0.00 2.31 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 2.35 2.44 0.00 32 N 8.64 5.16 0.00 2.70 2.70 0.00 0.00 6.47 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 33 V 8.06 4.45 2.45 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 0.86 0.00 0.00 0.76 0.00 0.00 34 H 8.51 4.39 0.00 3.23 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.72 3.54 0.00 0.86 1.64 0.00 2.84 0.00 0.00 2.66 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.00 36 S 8.00 4.04 0.00 3.85 3.83 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 37 C 7.86 4.28 0.00 3.02 3.09 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 0.00 0.00 0.00 0.00 38 L 7.92 3.94 0.00 1.81 2.16 1.12 1.13 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 39 S 7.95 4.13 0.00 3.70 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 40 T 7.66 3.93 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 1.27 0.00 0.00 41 W 8.50 4.11 0.00 3.32 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 2.53 0.00 1.95 1.53 1.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.43 3.69 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 1.18 0.00 0.00 44 I 7.51 3.81 2.00 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 1.39 0.43 0.87 0.00 0.00 45 S 8.25 4.03 0.00 3.13 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 6.97 3.64 0.00 1.99 1.91 0.00 3.21 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 47 N 8.98 5.20 0.00 2.24 2.88 0.00 0.00 6.69 5.59 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 48 T 8.65 4.94 4.28 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 0.00 0.00 1.25 0.00 0.00 49 A 7.64 3.84 0.97 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 0.00 0.00 50 C 9.27 4.67 0.00 2.89 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 51 Q 8.98 4.34 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 52 I 7.67 4.12 1.76 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.49 0.82 0.00 0.00 53 C 8.13 4.62 0.00 2.98 2.94 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 54 G 8.13 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 0.00 0.00 0.00 55 V 7.40 4.22 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 0.88 0.00 0.00 0.87 0.00 0.00 56 V 7.93 3.52 2.23 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 0.89 0.00 0.00 0.86 0.00 0.00 57 Y 8.45 4.53 0.00 3.32 3.33 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 58 N 8.19 4.24 0.00 3.19 2.93 0.00 0.00 6.88 7.57 0.00 0.00 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 T 7.63 4.60 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 1.45 0.00 0.00 60 R 8.36 4.09 0.00 1.77 1.87 0.00 3.40 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00