NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1917 8.2649 123.5821 50.8265 19.8217 175.9873 2 P 3.9885 0.0000 0.0000 62.3897 30.7822 174.8059 3 M 4.3077 8.3743 124.8435 54.1904 34.9108 174.7909 4 G 3.9588 8.3899 108.4108 45.5972 0.0000 172.8709 5 S 4.1243 8.8302 116.7430 59.3104 61.9001 176.4127 6 D 4.7451 8.6131 113.8531 52.3253 43.3933 172.4643 7 P 4.5305 0.0000 0.0000 61.3722 32.9442 176.8145 8 P 4.6120 0.0000 0.0000 63.2593 31.1419 175.2168 9 T 4.4842 8.0882 113.1980 62.9684 72.2012 174.6973 10 A 4.3775 8.6313 130.0682 52.0749 16.1926 175.4167 11 C 5.1457 7.9861 117.2998 54.7086 42.8725 175.0391 12 C 4.6677 8.6974 121.6206 57.0038 40.4041 173.5886 13 F 4.4598 8.4182 117.3360 57.3727 39.2860 175.6234 14 S 3.5078 5.8100 114.0157 57.9963 64.3498 172.4974 15 Y 4.6800 7.1853 115.6478 57.2522 42.2719 176.1269 16 T 4.1973 7.9173 115.1312 62.4897 67.4741 174.4288 17 A 4.7935 8.4693 123.1161 52.2471 21.0572 176.2272 18 R 4.5348 7.8520 115.7077 54.3024 34.0910 175.1804 19 K 2.8830 8.1376 123.8266 55.7221 32.5012 176.2004 20 L 4.1030 7.5162 126.5561 53.5478 42.3690 175.2236 21 P 4.3585 0.0000 0.0000 62.5152 32.0304 177.1668 22 R 3.9685 8.9261 121.6501 59.8338 29.9563 177.5625 23 N 4.8481 8.1615 112.1620 54.1028 38.6838 174.2169 24 F 4.9869 9.0085 118.2970 57.4320 40.2330 174.5430 25 V 4.7231 7.5042 119.4323 61.4679 31.9520 174.2929 26 V 3.9340 8.0435 118.2352 62.3399 32.4999 175.1221 27 D 4.8416 7.6997 117.7638 54.9706 44.8940 172.5202 28 Y 5.2800 8.5436 115.8143 57.4938 40.9393 172.8933 29 Y 4.3955 9.3089 118.5014 56.8744 42.5356 173.6451 30 E 4.5330 7.5816 125.1324 54.9962 31.7998 177.0755 31 T 4.0652 7.5826 112.0383 61.2377 70.6431 174.9365 32 S 4.7790 7.6034 122.0705 59.1550 62.1303 175.2773 33 S 4.5765 8.5857 114.7111 60.5781 67.2292 175.4769 34 L 4.0443 8.2847 120.3064 57.6930 41.5717 176.5470 35 C 4.4979 8.0496 113.0440 55.3101 42.1381 175.6626 36 S 4.5713 8.5762 120.8117 58.0321 62.1046 175.4058 37 Q 4.6514 8.4697 115.9470 54.7708 29.0198 171.0674 38 P 4.4387 0.0000 0.0000 63.6223 33.0961 175.1791 39 A 4.3652 9.1620 119.5271 51.6976 23.2454 175.3407 40 V 4.2728 7.6558 118.0267 61.5511 33.7916 174.8721 41 V 4.7949 8.7777 126.7168 61.1976 34.0597 174.2173 42 F 5.1975 9.3550 127.7181 56.9091 40.9819 174.7969 43 Q 5.3187 9.7882 123.0733 54.3467 30.0123 174.8920 44 T 4.9020 8.1176 116.9719 60.0812 70.1399 174.2077 45 K 4.2973 6.8256 116.8097 56.9501 34.6551 176.5211 46 R 4.9015 7.0502 117.4182 54.9176 31.4459 174.4556 47 S 4.5192 7.1994 125.3863 58.0598 70.0800 175.8960 48 K 4.6118 7.9132 134.7488 57.2728 39.4495 172.5459 49 Q 5.1291 8.0290 120.0061 54.2760 33.7677 174.3546 50 V 4.5756 9.0037 122.2677 61.2159 34.6237 174.3601 51 C 5.1534 8.9877 124.6464 57.2096 41.2094 172.3757 52 A 4.9464 9.0225 122.8045 50.1829 22.8552 175.2158 53 D 3.8047 8.3940 122.0086 53.0681 41.3242 175.1440 54 P 4.2116 0.0000 0.0000 64.6189 31.3347 177.4565 55 S 4.1027 8.3741 115.4793 60.5615 63.1398 174.0843 56 E 4.1792 7.9440 121.8776 55.2274 29.6284 177.3144 57 S 4.0496 8.9240 120.5113 61.5462 62.6469 176.6462 58 W 4.3471 8.1555 119.4707 59.1962 27.7818 178.4277 59 V 2.5923 6.6159 119.3505 65.5739 30.8501 177.8364 60 Q 3.9467 7.7535 118.8384 58.8711 28.9206 177.6590 61 E 3.9900 8.4169 120.5908 59.7068 29.8144 178.4442 62 Y 4.0675 8.8021 116.9541 61.0598 37.8701 178.8865 63 V 3.4091 8.0766 119.3036 65.9485 31.7006 177.4601 64 Y 3.9502 8.0377 119.3580 60.8932 38.4532 177.8161 65 D 4.3886 8.1022 118.6006 57.3657 40.9337 178.5292 66 L 4.1672 7.6374 118.7835 57.5682 41.6645 178.9835 67 E 4.1135 7.7546 117.9737 56.8552 29.6124 178.6444 68 L 3.9896 7.7058 118.6264 55.8057 40.8971 176.4715 69 N 4.4723 9.2836 126.0779 54.4603 39.0105 173.3544 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 8.26 4.19 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 2 P 0.00 3.99 0.00 2.15 2.07 0.00 3.94 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 3 M 8.37 4.31 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 4 G 8.39 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 0.00 0.00 0.00 5 S 8.83 4.12 0.00 3.98 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 6 D 8.61 4.75 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 4.53 0.00 2.16 2.07 0.00 3.51 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 1.99 2.07 0.00 8 P 0.00 4.61 0.00 2.20 2.13 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 T 8.09 4.48 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 1.23 0.00 0.00 10 A 8.63 4.38 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 11 C 7.99 5.15 0.00 2.99 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 12 C 8.70 4.67 0.00 2.90 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 13 F 8.42 4.46 0.00 3.16 3.11 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 0.00 14 S 5.81 3.51 0.00 3.54 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 15 Y 7.19 4.68 0.00 3.00 3.01 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 16 T 7.92 4.20 4.37 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 0.00 0.00 0.00 1.50 0.00 0.00 17 A 8.47 4.79 1.26 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 18 R 7.85 4.53 0.00 1.65 1.67 0.00 3.14 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 19 K 8.14 2.88 0.00 0.79 0.96 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.61 0.21 7.81 20 L 7.52 4.10 0.00 1.57 1.82 1.17 1.26 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 21 P 0.00 4.36 0.00 2.21 1.96 0.00 3.57 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 22 R 8.93 3.97 0.00 1.65 1.91 0.00 2.99 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 23 N 8.16 4.85 0.00 2.74 2.85 0.00 0.00 6.67 7.07 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 24 F 9.01 4.99 0.00 2.98 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 25 V 7.50 4.72 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 1.37 0.00 0.00 1.01 0.00 0.00 26 V 8.04 3.93 2.11 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 0.68 0.00 0.00 0.97 0.00 0.00 27 D 7.70 4.84 0.00 2.83 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 28 Y 8.54 5.28 0.00 3.09 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 29 Y 9.31 4.40 0.00 3.03 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 30 E 7.58 4.53 0.00 1.55 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 31 T 7.58 4.07 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 1.27 0.00 0.00 32 S 7.60 4.78 0.00 3.96 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.59 4.58 0.00 3.90 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 34 L 8.28 4.04 0.00 1.66 1.82 0.93 0.90 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 35 C 8.05 4.50 0.00 3.12 3.24 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 36 S 8.58 4.57 0.00 3.89 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 37 Q 8.47 4.65 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 38 P 0.00 4.44 0.00 2.16 2.29 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 39 A 9.16 4.37 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 40 V 7.66 4.27 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 0.31 0.00 0.00 0.79 0.00 0.00 41 V 8.78 4.79 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 1.24 0.00 0.00 1.01 0.00 0.00 42 F 9.35 5.20 0.00 3.24 3.06 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 0.00 0.00 0.00 43 Q 9.79 5.32 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 44 T 8.12 4.90 2.69 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 1.22 0.00 0.00 45 K 6.83 4.30 0.00 1.74 1.84 0.00 1.90 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.08 7.81 46 R 7.05 4.90 0.00 1.91 2.26 0.00 3.40 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 47 S 7.20 4.52 0.00 3.87 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 48 K 7.91 4.61 0.00 1.81 1.57 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.43 7.81 49 Q 8.03 5.13 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.26 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 50 V 9.00 4.58 2.35 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 1.14 0.00 0.00 1.15 0.00 0.00 51 C 8.99 5.15 0.00 2.93 3.06 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 0.00 0.00 0.00 52 A 9.02 4.95 1.24 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 53 D 8.39 3.80 0.00 1.86 2.21 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 54 P 0.00 4.21 0.00 2.09 2.02 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 55 S 8.37 4.10 0.00 3.75 3.87 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 56 E 7.94 4.18 0.00 1.70 1.57 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 2.35 2.15 0.00 57 S 8.92 4.05 0.00 4.06 4.14 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 58 W 8.16 4.35 0.00 3.57 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 59 V 6.62 2.59 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 -0.66 0.00 0.00 60 Q 7.75 3.95 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 61 E 8.42 3.99 0.00 2.22 2.42 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 2.55 2.43 0.00 62 Y 8.80 4.07 0.00 3.24 3.12 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 0.00 0.00 0.00 63 V 8.08 3.41 2.25 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 0.79 0.00 0.00 0.81 0.00 0.00 64 Y 8.04 3.95 0.00 3.26 3.13 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 0.00 0.00 0.00 0.00 65 D 8.10 4.39 0.00 2.78 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 L 7.64 4.17 0.00 1.61 1.73 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.75 4.11 0.00 1.78 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 2.33 2.47 0.00 68 L 7.71 3.99 0.00 1.68 1.12 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 69 N 9.28 4.47 0.00 2.64 2.67 0.00 0.00 6.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00