NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3024 8.2493 123.5824 51.0142 19.7405 176.5319 7 P 4.6185 0.0000 0.0000 60.6373 31.9499 175.5041 8 D 4.7552 8.7852 123.5747 52.3159 43.8128 177.4192 9 F 4.1002 8.7417 119.5914 62.2186 39.2003 177.1489 10 H 4.4168 8.1473 115.2400 58.9950 28.6451 177.3745 11 D 4.3264 9.0693 120.9727 57.2574 40.4379 179.1143 12 K 3.5950 7.5658 117.5306 58.9559 32.3318 178.2777 13 Y 4.6726 7.7717 114.4981 57.0866 38.8953 177.7337 14 G 3.9720 8.1911 108.6369 48.3962 0.0000 175.4707 15 N 4.3462 8.1876 118.6316 55.6083 38.4913 177.3759 16 A 3.9912 7.9180 121.7251 55.0287 18.6804 179.4296 17 V 3.5745 7.9878 116.9788 66.1708 31.5737 177.8360 18 L 3.9678 8.1722 119.6660 58.1657 41.9521 178.8369 19 A 3.9852 8.0543 120.6929 55.3767 18.3615 179.8648 20 S 4.3340 8.6132 113.2308 61.1172 63.1658 176.9118 21 G 3.6667 8.3319 109.4221 47.8195 0.0000 175.6358 22 A 4.1013 8.1006 123.8410 54.9402 18.3577 179.9508 23 T 3.8392 8.0169 114.2965 66.6791 68.5026 176.6205 24 F 4.3321 8.5998 122.8994 61.5202 39.4400 176.4989 25 C 3.8904 8.2052 118.1074 62.6443 31.3711 175.7978 26 V 3.6327 7.8156 119.4141 65.8038 31.0504 177.7133 27 A 4.0395 8.1884 120.7749 55.3407 18.2612 180.0772 28 V 3.5734 7.8898 117.6756 64.6829 31.3325 178.6077 29 W 3.9292 8.3480 119.6915 59.3970 28.9546 178.7207 30 V 3.6673 8.1878 118.3998 65.9749 30.9306 177.4025 31 Y 4.0313 8.2917 119.3805 61.0593 38.4992 177.6412 32 M 3.8510 8.1634 117.5862 58.7674 32.3395 177.7765 33 A 4.7299 8.3031 119.9241 54.2919 18.7121 177.9811 34 T 4.5672 7.7564 104.0859 61.2914 70.3651 174.6500 35 Q 4.4141 8.2034 119.9166 55.5884 29.4250 175.7307 36 I 4.2279 7.5216 110.1351 60.3528 37.9398 176.0346 37 G 3.8227 8.3100 107.1607 46.1302 0.0000 173.7783 38 I 3.4888 7.4465 120.3078 60.6081 37.4260 175.2341 39 E 4.2733 8.2353 126.6308 54.6528 29.2461 175.6012 40 W 4.1732 8.7143 127.1280 57.2545 30.1786 176.1103 41 N 4.0996 7.8092 114.5856 53.9263 36.6216 170.6956 42 P 4.6232 0.0000 0.0000 61.5607 33.1709 176.7013 43 S 4.2326 8.3209 113.2365 57.8256 62.7963 172.4765 44 P 4.3028 0.0000 0.0000 64.8173 31.4899 176.3636 45 V 3.6461 7.2065 118.2846 64.4951 31.2792 176.4435 46 G 4.0505 9.0339 115.2822 45.5921 0.0000 173.4604 47 R 4.4618 8.1973 114.7414 55.7529 31.5066 176.1486 48 V 4.2293 7.6334 117.2254 61.1169 33.1871 174.8835 49 T 4.3573 8.2685 123.6269 61.3367 68.4535 173.0116 50 P 4.3140 0.0000 0.0000 62.7434 31.8945 175.9337 51 K 4.6774 8.3361 122.8476 53.9239 34.8784 175.4237 52 E 4.0694 8.8264 124.3531 56.7076 29.8776 176.9053 53 W 4.6772 7.8730 118.4600 57.0682 30.5221 175.3835 54 R 3.3184 6.2261 122.3440 56.0104 29.2927 175.7162 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 6 A 8.25 4.30 1.28 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 0.00 0.00 7 P 0.00 4.62 0.00 2.21 2.05 0.00 3.35 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 8 D 8.79 4.76 0.00 2.97 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 9 F 8.74 4.10 0.00 3.23 2.98 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 10 H 8.15 4.42 0.00 3.41 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.07 4.33 0.00 2.71 2.66 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 12 K 7.57 3.60 0.00 0.79 0.74 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.20 1.46 7.81 13 Y 7.77 4.67 0.00 2.17 2.66 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 14 G 8.19 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.35 0.00 2.74 2.89 0.00 0.00 6.91 7.38 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 16 A 7.92 3.99 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 17 V 7.99 3.57 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 1.09 0.00 0.00 1.15 0.00 0.00 18 L 8.17 3.97 0.00 1.91 1.85 0.95 1.17 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 19 A 8.05 3.99 1.37 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 0.00 0.00 0.00 20 S 8.61 4.33 0.00 4.07 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 21 G 8.33 3.67 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 0.00 0.00 0.00 22 A 8.10 4.10 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 23 T 8.02 3.84 4.38 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 0.00 0.00 0.00 1.28 0.00 0.00 24 F 8.60 4.33 0.00 3.13 3.39 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 0.00 25 C 8.21 3.89 0.00 3.21 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 26 V 7.82 3.63 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 0.98 0.00 0.00 0.96 0.00 0.00 27 A 8.19 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.57 1.79 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 0.27 0.00 0.00 0.78 0.00 0.00 29 W 8.35 3.93 0.00 3.52 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 3.67 2.38 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 1.05 0.00 0.00 0.99 0.00 0.00 31 Y 8.29 4.03 0.00 3.11 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 32 M 8.16 3.85 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 33 A 8.30 4.73 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 4.57 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 1.22 0.00 0.00 35 Q 8.20 4.41 0.00 0.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.16 0.00 0.00 0.00 0.00 0.00 2.20 2.50 0.00 36 I 7.52 4.23 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.63 0.00 0.00 37 G 8.31 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 0.00 0.00 0.00 38 I 7.45 3.49 1.62 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.39 -0.34 0.00 0.00 39 E 8.24 4.27 0.00 1.82 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 0.00 2.21 2.35 0.00 40 W 8.71 4.17 0.00 3.36 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 41 N 7.81 4.10 0.00 2.84 2.83 0.00 0.00 7.21 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 42 P 0.00 4.62 0.00 2.24 2.11 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 43 S 8.32 4.23 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.22 2.09 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.21 3.65 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 0.93 0.00 0.00 46 G 9.03 4.05 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 0.00 0.00 0.00 47 R 8.20 4.46 0.00 1.85 2.02 0.00 3.10 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 48 V 7.63 4.23 2.09 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 0.87 0.00 0.00 0.95 0.00 0.00 49 T 8.27 4.36 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 50 P 0.00 4.31 0.00 2.08 2.06 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.34 4.68 0.00 1.71 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.83 4.07 0.00 1.96 1.77 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 2.31 2.22 0.00 53 W 7.87 4.68 0.00 3.54 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 54 R 6.23 3.32 0.00 0.67 0.84 0.00 2.89 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.00