NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4471 8.1633 120.3519 56.0356 34.2077 177.3654 2 T 3.8583 7.7107 115.2076 66.3297 68.5310 175.1179 3 I 3.7694 7.9575 121.2244 64.4695 37.5504 177.7363 4 L 4.0121 8.0356 120.6289 58.1023 41.7201 178.8318 5 F 4.2919 8.4219 120.6504 61.4686 39.4508 177.4555 6 Q 3.6414 8.7403 117.7205 58.4161 28.2692 178.7410 7 L 3.8894 8.2837 120.7241 57.5832 41.7333 178.9477 8 A 3.9321 7.6813 120.2309 55.2583 18.1315 179.4818 9 L 3.6641 7.5607 117.3020 58.1655 42.5279 178.7501 10 A 4.0503 7.9927 120.5937 54.9690 18.2212 179.5085 11 A 3.9200 8.7354 120.0744 55.1922 17.9712 179.4935 12 L 3.8712 8.0575 118.7765 57.9417 41.8318 179.5659 13 V 3.7371 7.5209 117.8191 66.0816 31.5949 178.1071 14 I 3.7513 7.7217 119.0123 64.1058 36.4426 178.0909 15 L 4.0060 8.3777 121.7809 58.1313 41.8606 179.1275 16 S 4.2518 7.9467 114.1923 61.6186 62.9962 176.2392 17 F 4.0230 8.5290 123.5016 61.4859 39.0821 177.3922 18 V 3.7447 8.2696 117.7781 66.3076 31.3541 177.8455 19 M 3.9718 9.2562 119.1173 58.3667 31.5589 178.9141 20 V 3.4363 8.2854 118.2677 66.1168 31.7131 177.8993 21 I 3.9975 7.7426 118.7669 64.2751 36.9578 177.3086 22 G 3.6853 8.3672 108.2280 45.5279 0.0000 176.1350 23 V 3.0571 7.8209 118.9955 65.2014 32.1529 176.0714 24 P 4.1174 0.0000 0.0000 65.1409 30.8889 178.2376 25 V 3.6019 7.6759 113.4275 65.1760 31.6645 177.7124 26 A 4.0865 7.7102 120.6451 55.0082 18.1746 178.7434 27 Y 3.7383 7.5309 116.8363 60.4692 38.2040 177.2230 28 A 3.8407 8.1080 123.1149 54.6113 18.9664 177.4419 29 S 4.4974 7.8930 115.1500 56.3214 63.5838 174.5570 30 P 4.9951 0.0000 0.0000 63.1241 30.3329 178.1627 31 Q 4.1908 8.7192 115.3197 55.9991 28.8190 177.1252 32 D 4.8264 8.8514 125.9200 50.9357 40.8952 176.7397 33 W 4.1282 9.0391 111.6636 56.4253 28.6362 175.2063 34 D 4.8250 8.0347 117.9931 55.4460 40.6525 178.2364 35 R 4.0588 7.9221 116.0895 58.1117 30.3381 177.9394 36 S 4.3376 8.1200 112.1689 59.6699 62.5736 175.4787 37 K 4.4044 8.0993 121.6408 58.7347 31.9210 177.9563 38 Q 4.1822 7.7294 119.8634 59.1860 29.2437 177.1871 39 L 3.9956 7.8461 119.3932 57.9932 41.7837 179.1199 40 I 3.6420 8.3285 119.7990 64.6576 37.0655 178.0672 41 F 4.0734 7.8874 120.2553 61.5232 39.1023 177.2508 42 L 3.9076 8.2126 118.5435 57.3903 41.3145 179.7918 43 G 3.5445 8.1874 105.9492 47.8551 0.0000 175.8602 44 S 4.1466 8.4846 118.4943 61.1043 62.3737 176.7819 45 G 3.5150 7.7758 108.4298 47.8057 0.0000 174.7997 46 L 3.9436 8.0072 123.7338 57.6764 41.9569 178.4959 47 W 4.3441 8.5027 128.2403 60.9510 30.5107 177.6050 48 I 3.5873 7.8514 119.1264 64.4692 36.6121 178.1475 49 A 3.9520 7.6182 120.0950 55.1644 18.2391 179.3364 50 L 3.8235 7.7499 117.4457 58.1778 41.7539 180.0005 51 V 3.3401 7.4957 117.7878 66.0647 31.3761 178.1002 52 L 4.1296 7.9359 118.6501 57.4745 41.3542 179.6741 53 V 3.5931 8.2042 118.7644 66.1377 31.6025 178.2539 54 V 4.0407 8.3931 118.5092 66.4540 31.0802 177.4245 55 G 3.7277 8.4990 104.9693 48.0974 0.0000 175.1980 56 V 3.7983 8.4048 119.9392 65.2006 31.7348 178.3918 57 L 4.4317 8.6698 120.0092 57.5547 41.9001 178.4149 58 N 3.6009 8.0737 117.5269 56.4688 38.6988 176.3150 59 F 3.9167 7.4248 115.0445 58.9087 38.9046 176.2417 60 F 4.8303 7.4269 116.5063 57.9721 40.0214 177.5930 61 V 3.8509 7.3587 116.6115 64.7151 31.9082 175.8602 62 V 3.8895 7.1945 114.8279 61.3157 31.7205 175.5801 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 4.45 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 2 T 7.71 3.86 4.30 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 1.30 0.00 0.00 3 I 7.96 3.77 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 1.54 0.66 0.92 0.00 0.00 4 L 8.04 4.01 0.00 1.78 1.81 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.42 4.29 0.00 3.26 3.25 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 6 Q 8.74 3.64 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.72 0.00 7 L 8.28 3.89 0.00 1.79 1.68 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.68 3.93 1.32 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 0.00 0.00 0.00 9 L 7.56 3.66 0.00 0.94 1.22 0.80 0.99 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 10 A 7.99 4.05 1.29 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 0.00 0.00 11 A 8.74 3.92 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 12 L 8.06 3.87 0.00 1.74 1.82 0.58 0.55 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 13 V 7.52 3.74 2.28 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 1.15 0.00 0.00 1.00 0.00 0.00 14 I 7.72 3.75 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.82 0.00 0.00 15 L 8.38 4.01 0.00 1.82 1.81 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.95 4.25 0.00 4.29 4.02 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 17 F 8.53 4.02 0.00 3.25 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 3.74 2.32 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 1.00 0.00 0.00 1.06 0.00 0.00 19 M 9.26 3.97 0.00 1.88 2.19 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.75 0.00 20 V 8.29 3.44 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 0.67 0.00 0.00 0.83 0.00 0.00 21 I 7.74 4.00 1.92 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.92 0.00 0.00 22 G 8.37 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 3.06 1.85 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 0.56 0.00 0.00 0.70 0.00 0.00 24 P 0.00 4.12 0.00 2.11 1.89 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 25 V 7.68 3.60 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 1.02 0.00 0.00 0.98 0.00 0.00 26 A 7.71 4.09 1.01 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 0.00 0.00 27 Y 7.53 3.74 0.00 2.71 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 0.00 0.00 0.00 28 A 8.11 3.84 1.32 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 0.00 0.00 0.00 29 S 7.89 4.50 0.00 4.05 4.10 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 0.00 0.00 0.00 0.00 30 P 0.00 5.00 0.00 2.23 1.98 0.00 3.73 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.76 0.00 31 Q 8.72 4.19 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.08 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 32 D 8.85 4.83 0.00 3.15 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.04 4.13 0.00 3.46 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.82 0.00 2.70 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 35 R 7.92 4.06 0.00 2.04 2.23 0.00 2.98 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 36 S 8.12 4.34 0.00 4.12 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 37 K 8.10 4.40 0.00 2.34 2.11 0.00 2.00 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.69 7.81 38 Q 7.73 4.18 0.00 2.18 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 39 L 7.85 4.00 0.00 1.84 1.73 0.95 0.87 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 40 I 8.33 3.64 2.03 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.92 0.00 0.00 41 F 7.89 4.07 0.00 3.46 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 42 L 8.21 3.91 0.00 1.97 1.74 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.19 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.48 4.15 0.00 3.79 3.85 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 45 G 7.78 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 3.94 0.00 1.85 2.00 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.50 4.34 0.00 3.52 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 48 I 7.85 3.59 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 0.93 0.00 0.00 49 A 7.62 3.95 1.32 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 0.00 0.00 0.00 50 L 7.75 3.82 0.00 1.74 1.56 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.50 3.34 1.88 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 0.81 0.00 0.00 -0.15 0.00 0.00 52 L 7.94 4.13 0.00 1.89 1.70 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.20 3.59 2.27 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 1.02 0.00 0.00 0.97 0.00 0.00 54 V 8.39 4.04 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 1.09 0.00 0.00 0.87 0.00 0.00 55 G 8.50 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 56 V 8.40 3.80 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.00 0.00 0.00 57 L 8.67 4.43 0.00 2.11 1.98 1.17 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.07 3.60 0.00 2.68 2.85 0.00 0.00 7.03 7.50 0.00 0.00 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 F 7.42 3.92 0.00 2.73 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 60 F 7.43 4.83 0.00 3.09 2.99 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 61 V 7.36 3.85 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.38 0.00 0.00 62 V 7.19 3.89 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 0.64 0.00 0.00 0.73 0.00 0.00