NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.5296 8.2676 118.1173 51.7171 40.6835 176.7856 2 S 3.6098 8.0998 110.2941 57.2973 63.5867 168.8405 3 Y 3.3097 8.4914 114.1793 58.0168 35.8007 170.4379 4 P 4.4062 0.0000 0.0000 63.3688 32.5872 178.2887 5 G 3.9251 10.3392 106.9010 45.3586 0.0000 171.3795 6 C 4.7994 8.4912 111.8251 53.5040 42.5046 171.5294 7 P 4.0832 0.0000 0.0000 62.8721 29.6799 177.1891 8 S 3.7228 8.9468 120.5182 61.6574 62.9293 176.6968 9 S 3.9398 8.0716 113.4890 60.9134 61.7587 173.8550 10 Y 3.9468 8.2101 119.5182 56.6099 38.1112 175.5013 11 D 4.7355 7.8003 122.2202 55.2482 40.6857 174.6415 12 G 4.1654 7.5769 113.3661 45.8227 0.0000 174.9864 13 Y 4.3262 8.4981 120.6421 60.0514 39.1973 176.1941 14 C 3.7489 7.8335 119.9850 55.9589 42.5647 172.5258 15 L 4.3212 7.7851 126.3972 54.0016 43.3227 176.9711 16 N 3.6982 9.4663 111.9986 54.7931 35.2048 174.9978 17 G 3.3504 7.9887 119.3252 45.8858 0.0000 172.9637 18 G 3.7471 7.0481 105.2048 44.0735 0.0000 174.8187 19 V 3.7468 8.3776 128.1822 62.5507 32.7051 174.3645 20 C 4.5022 8.7408 128.9960 56.4063 38.3674 172.6857 21 M 4.6193 8.5173 126.3482 54.8480 34.1615 175.5414 22 H 4.9796 8.4261 120.0305 55.2883 32.4021 172.5630 23 I 4.1178 7.7760 128.2202 60.6775 37.8033 176.6322 24 E 4.1026 8.5732 126.7809 56.5214 30.7094 175.1469 25 S 4.1767 8.4564 116.4504 59.4210 61.8441 171.1360 26 L 4.1782 7.6014 117.1903 54.7823 41.8115 177.0120 27 D 4.6999 7.3259 116.4500 53.8411 38.9379 174.0567 28 S 4.2234 7.1373 115.9770 59.0044 64.7593 171.6852 29 Y 5.0527 7.8826 115.7328 57.7794 42.2646 174.5268 30 T 4.6488 8.3467 114.3440 62.6173 71.3705 170.7609 31 C 5.7687 8.5523 117.5394 56.3237 46.0268 173.1443 32 N 4.8906 8.2541 117.2364 52.8963 41.6689 174.0459 33 C 4.8527 8.5317 127.2798 57.0643 36.3447 170.8806 34 V 3.9384 7.5292 120.7776 63.7993 34.7230 173.9387 35 I 4.0610 7.6962 115.1716 59.7816 36.5261 176.8851 36 G 3.5736 6.6307 116.1141 45.6452 0.0000 171.2204 37 Y 5.5075 7.8368 118.7493 55.9772 41.6279 174.0354 38 S 4.5988 8.6188 120.9995 58.6856 65.5308 172.7035 39 G 4.2485 8.1029 106.1738 46.0951 0.0000 171.8638 40 D 4.2355 9.2681 118.4265 58.0976 39.4685 178.2459 41 R 4.1594 8.8813 123.6039 57.9057 31.4183 178.6087 42 C 5.0949 7.3286 112.6237 56.7092 42.5185 175.1465 43 Q 4.0543 8.5196 117.6586 58.1691 28.8885 176.9234 44 T 4.2578 8.3790 118.5220 62.9188 67.1833 172.8991 45 R 5.0254 8.1532 123.7466 54.1926 29.5019 173.9712 46 D 5.2161 8.0218 123.8143 51.1367 44.6218 175.8218 47 L 4.0699 8.3662 119.8496 54.6566 39.4904 176.5804 48 R 4.2550 5.9280 115.8166 55.3326 32.4443 177.5651 49 W 4.7337 7.8479 123.8896 60.3158 32.0656 176.5347 50 W 3.7373 7.0971 113.6982 58.4696 28.1780 177.3630 51 E 3.9127 7.6048 115.1274 56.1464 27.1320 175.5568 52 L 3.7212 8.6237 116.7794 55.2161 41.5132 174.4779 53 R 4.1028 7.9840 121.3033 57.6097 30.0143 175.9726 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 N 8.27 4.53 0.00 2.93 2.61 0.00 0.00 6.58 6.61 0.00 0.00 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 S 8.10 3.61 0.00 4.14 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 3 Y 8.49 3.31 0.00 3.11 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 4 P 0.00 4.41 0.00 2.08 2.01 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 5 G 10.34 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 6 C 8.49 4.80 0.00 2.70 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 7 P 0.00 4.08 0.00 1.97 1.91 0.00 3.07 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.87 0.00 8 S 8.95 3.72 0.00 3.86 3.96 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 0.00 0.00 0.00 0.00 9 S 8.07 3.94 0.00 3.66 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.21 3.95 0.00 3.19 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 11 D 7.80 4.74 0.00 3.07 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 12 G 7.58 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.50 4.33 0.00 2.93 3.19 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 0.00 0.00 0.00 0.00 14 C 7.83 3.75 0.00 2.67 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 15 L 7.79 4.32 0.00 1.73 1.60 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 N 9.47 3.70 0.00 3.11 3.51 0.00 0.00 7.46 7.80 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 17 G 7.99 3.35 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 0.00 18 G 7.05 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 0.00 0.00 0.00 19 V 8.38 3.75 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 0.94 0.00 0.00 0.90 0.00 0.00 20 C 8.74 4.50 0.00 2.92 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 21 M 8.52 4.62 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 22 H 8.43 4.98 0.00 3.39 3.48 0.00 5.74 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.78 4.12 1.79 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 1.20 0.90 0.88 0.00 0.00 24 E 8.57 4.10 0.00 1.94 1.93 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 2.38 2.32 0.00 25 S 8.46 4.18 0.00 4.03 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 26 L 7.60 4.18 0.00 1.74 1.60 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.33 4.70 0.00 3.05 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 28 S 7.14 4.22 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 29 Y 7.88 5.05 0.00 3.05 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 4.65 4.29 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 1.23 0.00 0.00 31 C 8.55 5.77 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 4.89 0.00 2.75 2.53 0.00 0.00 6.77 7.59 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 33 C 8.53 4.85 0.00 3.03 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 34 V 7.53 3.94 1.61 0.00 0.00 0.00 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 0.73 0.00 0.00 35 I 7.70 4.06 1.75 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 1.43 1.11 0.48 0.00 0.00 36 G 6.63 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.84 5.51 0.00 2.98 2.67 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 0.00 0.00 0.00 0.00 38 S 8.62 4.60 0.00 3.96 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 0.00 39 G 8.10 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 0.00 0.00 0.00 0.00 40 D 9.27 4.24 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.88 4.16 0.00 1.75 1.85 0.00 3.50 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 42 C 7.33 5.09 0.00 3.00 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 43 Q 8.52 4.05 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.74 7.66 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 44 T 8.38 4.26 4.39 0.00 0.00 0.00 0.00 0.00 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 45 R 8.15 5.03 0.00 2.17 2.09 0.00 3.33 0.00 0.00 4.01 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 46 D 8.02 5.22 0.00 2.74 2.52 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 47 L 8.37 4.07 0.00 1.67 1.62 1.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 48 R 5.93 4.26 0.00 1.82 1.65 0.00 2.87 0.00 0.00 3.11 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.28 0.00 49 W 7.85 4.73 0.00 2.34 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 0.00 0.00 0.00 50 W 7.10 3.74 0.00 3.53 3.10 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 51 E 7.60 3.91 0.00 2.35 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 2.15 2.28 0.00 52 L 8.62 3.72 0.00 1.89 1.82 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.98 4.10 0.00 1.97 1.82 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00