NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5416 8.3193 116.7965 58.7608 64.1901 172.3365 2 L 4.1345 7.8741 127.4810 54.8067 43.0750 174.3579 3 A 4.3818 8.9161 123.9980 52.6508 18.6212 179.4870 4 A 4.5422 8.6220 121.8567 52.9150 19.2929 176.3118 5 D 4.7079 8.3470 118.9586 53.8435 39.9505 175.8908 6 T 4.5613 7.9021 131.0156 62.4933 70.9672 170.3706 7 P 4.3897 0.0000 0.0000 62.0180 31.7394 175.6626 8 T 3.7528 8.4824 121.1814 62.9005 67.2044 171.6133 9 A 3.7528 8.2897 127.9265 52.6702 18.3981 177.1525 10 C 4.5855 8.1704 119.2915 56.2320 42.0157 175.9482 11 C 4.5320 8.1319 122.4357 55.7481 38.5294 173.1875 12 F 4.5505 7.7096 120.4196 58.1973 39.6516 176.0903 13 S 4.5644 7.9423 115.8644 56.8972 63.7178 172.7208 14 Y 4.1821 7.5987 123.3700 56.3512 38.8889 175.0877 15 T 4.5155 8.3508 118.3842 61.1136 68.2616 174.5223 16 S 4.2552 8.8979 125.5004 61.6169 63.0856 175.1441 17 R 4.1157 7.6297 117.9447 55.7837 30.6867 175.0699 18 Q 3.6278 7.7842 120.9559 53.6052 31.0537 174.7762 19 I 4.3106 5.8689 110.7897 58.6245 40.3420 173.4622 20 P 5.2996 0.0000 0.0000 61.2718 32.6438 177.0596 21 Q 3.4134 8.3018 116.5206 58.7038 28.6596 178.7611 22 N 4.3286 8.0077 114.0552 55.1044 39.0487 175.3379 23 F 4.8108 7.9980 118.9440 57.6599 39.6986 174.3265 24 I 5.0209 7.2323 118.3221 60.1578 40.6595 174.3835 25 A 4.7461 8.7257 119.9870 52.9786 25.0110 176.4096 26 A 5.0762 7.7308 119.9721 52.5032 20.2177 175.4263 27 Y 4.1018 8.5900 116.3217 57.7246 39.8281 175.0110 28 F 2.5764 5.4600 116.6010 58.2630 38.2514 174.9820 29 E 4.6694 8.6979 114.8005 56.8213 29.8396 177.2485 30 T 3.2644 7.9184 110.6406 63.0444 69.5840 169.7099 31 S 4.4988 7.6901 112.5897 58.9445 67.7345 175.5729 32 S 4.4152 7.8910 117.7345 59.6818 63.7099 174.4781 33 Q 4.1168 8.8445 120.1279 56.0300 27.1624 174.8443 34 C 4.9523 7.8738 114.3487 54.4779 42.4874 173.2360 35 S 4.1551 9.0572 119.7295 58.9972 61.9842 174.3250 36 K 4.5894 8.3436 128.3682 54.6835 31.5967 173.6413 37 P 4.5973 0.0000 0.0000 63.5152 32.0584 176.8131 38 G 4.5945 7.5291 105.4860 46.9673 0.0000 173.2914 39 V 4.6606 8.0728 117.4664 60.1167 35.4561 175.0359 40 I 5.3723 7.5452 121.6220 60.0508 39.9050 174.1821 41 F 5.2703 8.2851 120.2244 56.2204 43.7566 174.4508 42 L 5.2589 8.2781 117.0586 53.2126 42.2686 176.4748 43 T 4.6824 7.7496 110.0020 60.8551 69.6420 175.6622 44 K 4.1904 8.7624 121.0598 58.9819 32.2351 177.6822 45 R 4.4210 8.0515 118.6296 56.1469 30.0114 176.4904 46 S 3.8008 7.6573 109.1182 59.1088 61.3525 172.3887 47 R 4.5997 7.3916 118.3063 53.5503 29.9778 175.7262 48 Q 4.9924 8.4307 122.0398 55.9038 29.5127 175.8169 49 V 4.5969 8.4811 120.6885 61.7986 36.0788 174.6845 50 C 5.9163 8.7972 120.7273 55.6942 42.9707 172.5101 51 A 5.0962 8.2637 118.0858 51.3679 22.1410 175.9315 52 D 5.3078 9.4160 120.1735 53.0470 42.2840 175.6092 53 P 4.6531 0.0000 0.0000 63.2778 31.3026 176.8487 54 S 4.4327 7.2293 110.8879 57.2143 62.5826 175.1809 55 E 3.9547 7.7499 117.9869 55.9597 29.6456 177.9831 56 E 3.9928 8.6080 122.3460 57.7022 29.9558 177.3552 57 W 4.3987 7.3912 114.5230 57.3846 28.8953 177.8566 58 V 3.3043 6.1882 117.6052 64.3371 31.1159 176.9013 59 Q 4.0455 7.3046 116.1899 57.1978 28.3824 177.5659 60 K 3.9881 6.7640 120.2039 59.0791 33.0416 177.8494 61 Y 4.5727 7.0274 115.4717 59.9800 37.5328 177.5824 62 V 3.8742 7.3441 118.1730 64.2269 32.4145 177.1241 63 S 4.1970 7.6697 110.9149 60.1267 62.2253 173.8009 64 D 4.7569 7.7581 117.1608 54.2624 43.3352 175.3008 65 L 4.6066 7.2147 116.0512 53.3614 42.1227 176.0534 66 E 3.1472 7.4876 117.5443 56.0563 31.1941 175.4286 67 L 6.0308 6.9808 126.0564 55.9505 43.3310 173.7006 68 S 4.3975 7.8372 111.2552 58.3858 64.1253 174.9483 69 A 4.1629 7.4304 129.4366 52.7687 18.1177 177.5605 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 S 8.32 4.54 0.00 3.88 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 2 L 7.87 4.13 0.00 1.77 1.60 1.01 0.41 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 3 A 8.92 4.38 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 4 A 8.62 4.54 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 5 D 8.35 4.71 0.00 2.76 2.70 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 6 T 7.90 4.56 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 7 P 0.00 4.39 0.00 2.10 2.02 0.00 3.74 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 1.89 1.92 0.00 8 T 8.48 3.75 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 1.23 0.00 0.00 9 A 8.29 3.75 1.13 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 0.00 0.00 10 C 8.17 4.59 0.00 1.60 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 0.00 0.00 0.00 0.00 11 C 8.13 4.53 0.00 2.96 3.23 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 0.00 0.00 0.00 0.00 12 F 7.71 4.55 0.00 3.03 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 13 S 7.94 4.56 0.00 3.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.60 4.18 0.00 2.12 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 0.00 0.00 0.00 15 T 8.35 4.52 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 1.36 0.00 0.00 16 S 8.90 4.26 0.00 3.89 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 17 R 7.63 4.12 0.00 1.66 1.67 0.00 3.19 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 Q 7.78 3.63 0.00 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.33 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 19 I 5.87 4.31 1.62 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.08 0.61 0.00 0.00 20 P 0.00 5.30 0.00 2.24 2.27 0.00 3.94 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 21 Q 8.30 3.41 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.03 0.00 0.00 0.00 0.00 0.00 1.52 2.44 0.00 22 N 8.01 4.33 0.00 2.61 2.69 0.00 0.00 6.64 7.40 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 23 F 8.00 4.81 0.00 3.01 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 24 I 7.23 5.02 1.76 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.58 0.94 0.00 0.00 25 A 8.73 4.75 1.35 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 26 A 7.73 5.08 1.40 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 0.00 0.00 27 Y 8.59 4.10 0.00 3.01 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 28 F 5.46 2.58 0.00 2.86 2.88 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 29 E 8.70 4.67 0.00 2.05 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 2.20 2.27 0.00 30 T 7.92 3.26 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 1.16 0.00 0.00 31 S 7.69 4.50 0.00 3.81 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 32 S 7.89 4.42 0.00 3.89 3.82 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 33 Q 8.84 4.12 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 34 C 7.87 4.95 0.00 2.94 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 35 S 9.06 4.16 0.00 3.86 3.92 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 36 K 8.34 4.59 0.00 1.85 1.92 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.32 7.81 37 P 0.00 4.60 0.00 2.10 2.14 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 38 G 7.53 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.07 4.66 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 0.56 0.00 0.00 0.83 0.00 0.00 40 I 7.55 5.37 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.76 0.00 0.00 41 F 8.29 5.27 0.00 3.28 3.05 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 0.00 0.00 0.00 42 L 8.28 5.26 0.00 1.82 1.71 1.20 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.75 4.68 4.44 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 1.26 0.00 0.00 44 K 8.76 4.19 0.00 1.86 1.96 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.40 7.81 45 R 8.05 4.42 0.00 1.84 1.94 0.00 3.46 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 46 S 7.66 3.80 0.00 3.97 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 47 R 7.39 4.60 0.00 1.64 1.84 0.00 3.19 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 48 Q 8.43 4.99 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 49 V 8.48 4.60 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 0.99 0.00 0.00 0.99 0.00 0.00 50 C 8.80 5.92 0.00 3.14 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 51 A 8.26 5.10 1.35 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 52 D 9.42 5.31 0.00 3.01 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 53 P 0.00 4.65 0.00 2.13 2.04 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 54 S 7.23 4.43 0.00 3.74 3.74 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 55 E 7.75 3.95 0.00 1.16 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 2.24 1.90 0.00 56 E 8.61 3.99 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 57 W 7.39 4.40 0.00 3.59 3.28 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 0.00 58 V 6.19 3.30 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 -0.58 0.00 0.00 59 Q 7.30 4.05 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.41 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 60 K 6.76 3.99 0.00 1.68 1.40 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.71 1.69 7.81 61 Y 7.03 4.57 0.00 3.42 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.34 3.87 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 0.87 0.00 0.00 0.96 0.00 0.00 63 S 7.67 4.20 0.00 3.86 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.76 4.76 0.00 2.62 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 65 L 7.21 4.61 0.00 1.71 1.34 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.49 3.15 0.00 2.00 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 2.29 2.20 0.00 67 L 6.98 6.03 0.00 1.86 1.55 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.84 4.40 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 69 A 7.43 4.16 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