NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3721 8.3044 120.3515 55.2783 34.0528 175.8260 2 K 3.8239 7.9983 119.2850 54.8528 32.5199 174.6168 3 T 4.4765 8.5206 116.5776 60.4737 70.4337 173.4213 4 G 4.1837 7.9007 108.9244 44.9160 0.0000 172.4886 5 I 4.7704 7.9469 121.5316 58.8817 39.1707 175.8672 6 V 3.7921 7.8271 124.8359 62.2826 32.6746 174.5530 7 N 4.4230 8.9157 125.2269 53.2886 37.1399 176.1372 8 V 4.0438 8.0692 125.5077 62.9894 30.7282 174.8801 9 S 4.2950 8.3202 121.7965 58.7258 60.7380 174.2039 10 S 4.7688 5.8836 110.9671 59.1646 69.6144 175.2298 11 S 4.5929 7.7476 113.0614 56.9425 65.0153 173.0200 12 L 4.3351 8.1140 127.3157 54.0638 44.5388 174.1287 13 N 4.7629 8.6278 124.0302 52.4658 39.9381 174.5074 14 V 4.2994 8.0206 122.2193 61.5621 33.9153 175.7269 15 R 4.8424 8.5310 127.0226 54.4443 32.5528 176.7055 16 S 4.7114 8.1991 112.3300 58.5818 63.9320 173.1037 17 S 2.7900 6.8169 113.4354 57.3785 64.6906 175.1387 18 A 3.7357 7.7070 124.1877 51.6739 17.5347 177.6807 19 S 4.6255 7.1690 114.0940 57.7492 66.4172 175.2062 20 T 3.8952 8.4693 113.7537 64.3235 69.0383 176.7693 21 S 4.2047 7.9301 115.7252 60.7221 63.2561 175.4089 22 S 3.9407 7.3899 117.0459 59.4396 62.4542 175.3696 23 K 3.8336 7.8542 121.5228 55.0742 32.3378 174.8078 24 V 4.1234 8.1978 118.1279 62.1324 32.0635 175.3462 25 I 4.5970 7.7283 112.6942 61.1707 41.6249 174.7160 26 G 4.0193 7.3577 108.0226 45.0880 0.0000 171.8658 27 S 4.6965 8.6335 114.0702 56.0778 65.1595 173.4721 28 L 4.6424 8.2872 125.3027 53.4907 43.8231 175.4447 29 S 4.6281 8.2009 119.0302 57.0498 64.1438 174.8060 30 G 3.6425 8.2835 112.5681 46.5314 0.0000 173.4238 31 N 4.3197 8.0471 117.2985 54.2125 37.3522 174.0620 32 T 4.2923 7.0021 113.6185 62.2862 70.1135 173.9104 33 K 4.4397 8.4052 126.7578 56.1741 33.2711 176.4568 34 V 4.4017 7.9539 117.5579 60.3134 35.8397 175.2204 35 T 4.4625 8.9091 123.2373 61.7876 67.0723 173.6131 36 I 3.8793 7.5573 125.1411 61.3491 38.6555 177.2143 37 V 4.3942 8.1150 115.4166 59.6210 33.7043 174.3033 38 G 3.9508 9.5405 108.5951 45.3855 0.0000 170.0245 39 E 4.5856 7.6668 114.6939 55.0392 31.8038 174.3930 40 E 4.5291 9.1271 120.4667 56.0167 33.4536 175.7657 41 G 4.2662 8.7564 115.1687 46.2727 0.0000 173.4763 42 A 4.2460 8.5072 119.7389 51.9129 18.6293 177.2199 43 F 5.2623 7.9642 116.5771 58.0731 44.3531 173.6973 44 Y 4.9449 9.5301 118.1544 56.2309 41.6396 174.6783 45 K 4.5228 8.5414 122.8472 55.2435 34.1403 175.2232 46 I 4.8484 7.5896 115.2223 59.9326 41.9604 173.5220 47 E 4.7608 8.6379 121.8929 54.8508 31.0582 173.2249 48 Y 4.7104 8.4789 126.4228 56.1812 42.2724 174.5892 49 K 3.4925 7.9861 118.8071 56.9501 29.7493 177.1616 50 G 3.8642 8.0897 105.6260 45.8109 0.0000 174.0217 51 S 4.7687 8.0091 116.2757 56.7569 65.4891 172.3749 52 H 5.3603 8.1769 115.8463 53.9218 30.3798 172.9340 53 G 4.3326 8.0181 105.4591 44.9883 0.0000 171.0338 54 Y 4.9497 8.6932 118.6106 57.0507 39.9128 175.0290 55 V 4.7310 8.6431 120.9440 60.8978 35.6713 174.4885 56 A 4.5348 8.9504 129.6604 52.3516 18.6275 177.8208 57 K 4.1664 8.4788 120.6164 58.4978 33.7327 178.8574 58 E 3.9099 8.2000 119.8767 59.2460 29.7868 177.3815 59 Y 3.9281 8.1986 115.3605 60.6073 38.3132 175.7683 60 I 4.1008 7.3089 123.9157 61.5223 37.2011 175.5350 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 4.37 0.00 2.00 2.17 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 2.49 2.54 0.00 2 K 8.00 3.82 0.00 1.84 1.72 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.49 7.81 3 T 8.52 4.48 4.41 0.00 0.00 0.00 0.00 0.00 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 4 G 7.90 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 0.00 0.00 0.00 0.00 5 I 7.95 4.77 1.85 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 1.21 0.68 0.89 0.00 0.00 6 V 7.83 3.79 2.03 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 0.89 0.00 0.00 0.92 0.00 0.00 7 N 8.92 4.42 0.00 2.89 2.99 0.00 0.00 6.22 7.83 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 8 V 8.07 4.04 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 0.73 0.00 0.00 0.95 0.00 0.00 9 S 8.32 4.30 0.00 3.93 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 10 S 5.88 4.77 0.00 4.00 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 0.00 11 S 7.75 4.59 0.00 3.81 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 12 L 8.11 4.34 0.00 1.58 1.46 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.63 4.76 0.00 2.61 2.70 0.00 0.00 6.94 7.67 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 14 V 8.02 4.30 2.24 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 1.05 0.00 0.00 0.96 0.00 0.00 15 R 8.53 4.84 0.00 1.58 1.67 0.00 2.65 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.31 0.00 16 S 8.20 4.71 0.00 3.98 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 17 S 6.82 2.79 0.00 3.43 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 18 A 7.71 3.74 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.17 4.63 0.00 3.86 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.47 3.90 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 1.26 0.00 0.00 21 S 7.93 4.20 0.00 3.97 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 22 S 7.39 3.94 0.00 3.89 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 23 K 7.85 3.83 0.00 1.97 1.82 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.34 7.81 24 V 8.20 4.12 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 0.90 0.00 0.00 0.92 0.00 0.00 25 I 7.73 4.60 1.87 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 1.56 0.67 0.90 0.00 0.00 26 G 7.36 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 0.00 0.00 0.00 27 S 8.63 4.70 0.00 3.95 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 28 L 8.29 4.64 0.00 1.59 1.55 0.93 0.82 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 29 S 8.20 4.63 0.00 3.84 3.75 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 30 G 8.28 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 0.00 0.00 0.00 31 N 8.05 4.32 0.00 2.86 2.91 0.00 0.00 7.14 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 32 T 7.00 4.29 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 0.23 0.00 0.00 33 K 8.41 4.44 0.00 1.77 1.74 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81 34 V 7.95 4.40 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 0.61 0.00 0.00 0.91 0.00 0.00 35 T 8.91 4.46 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 1.23 0.00 0.00 36 I 7.56 3.88 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.53 1.10 0.00 0.00 37 V 8.12 4.39 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 0.62 0.00 0.00 0.97 0.00 0.00 38 G 9.54 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 0.00 0.00 0.00 39 E 7.67 4.59 0.00 1.29 1.12 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 1.75 1.99 0.00 40 E 9.13 4.53 0.00 2.08 1.94 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 2.26 2.29 0.00 41 G 8.76 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 0.00 0.00 0.00 0.00 42 A 8.51 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.96 5.26 0.00 3.35 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 44 Y 9.53 4.94 0.00 2.93 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 45 K 8.54 4.52 0.00 1.66 1.80 0.00 1.50 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.18 0.92 7.81 46 I 7.59 4.85 1.91 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 1.20 0.61 0.97 0.00 0.00 47 E 8.64 4.76 0.00 1.89 1.87 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 2.19 2.29 0.00 48 Y 8.48 4.71 0.00 3.02 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 49 K 7.99 3.49 0.00 1.92 1.79 0.00 1.89 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.48 7.81 50 G 8.09 3.86 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 0.00 0.00 0.00 51 S 8.01 4.77 0.00 3.81 3.71 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 52 H 8.18 5.36 0.00 3.13 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.02 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 0.00 0.00 0.00 0.00 54 Y 8.69 4.95 0.00 2.88 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 55 V 8.64 4.73 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 1.14 0.00 0.00 0.98 0.00 0.00 56 A 8.95 4.53 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 57 K 8.48 4.17 0.00 1.67 1.88 0.00 1.48 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.44 1.35 7.81 58 E 8.20 3.91 0.00 1.89 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 2.19 2.23 0.00 59 Y 8.20 3.93 0.00 2.97 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 60 I 7.31 4.10 1.93 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 1.27 0.68 0.92 0.00 0.00