NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.0620 8.2876 121.4548 55.5789 31.4671 176.6709 20 I 4.4423 7.4834 107.9194 59.1091 38.5204 172.6142 21 D 4.6745 7.4085 118.9330 53.6704 44.8883 175.4296 22 Y 4.4228 8.2007 121.3962 58.8388 38.9213 176.9837 23 K 3.7488 6.9277 118.5699 59.5499 33.0749 177.1099 24 D 4.6562 8.9264 121.4384 53.3311 39.2590 176.7063 25 I 3.7488 7.6263 116.5822 64.1598 37.5454 177.9182 26 A 3.9339 7.8549 121.1779 55.3648 18.6857 179.1148 27 T 3.9989 8.3052 113.8967 67.0162 68.6327 176.6069 28 L 4.3519 7.8104 120.3328 58.1396 41.5138 179.6112 29 K 4.1213 7.7419 116.3535 58.6798 32.0248 178.1456 30 N 4.4715 8.4149 116.5045 54.5706 38.8397 175.6607 31 Y 4.7434 8.3570 118.1986 56.6115 39.5118 175.0406 32 I 4.8723 7.1055 119.0189 59.8354 41.6654 175.6091 33 T 4.3792 8.2474 114.5555 60.6862 70.3900 175.2135 34 E 4.1720 8.5700 119.8565 59.3116 30.0558 178.8232 35 S 4.1929 8.3343 115.4913 60.5692 63.2162 175.2993 36 G 4.0241 7.7129 110.3156 45.9249 0.0000 175.0600 37 K 4.0400 8.0862 119.8293 56.2016 33.0261 176.2958 38 I 4.3517 8.1451 115.3237 61.3621 38.5505 175.0719 39 V 4.2938 8.3153 116.1972 59.4370 32.8696 175.1374 40 P 4.5189 0.0000 0.0000 63.0802 31.3887 175.7964 41 S 5.2449 8.8635 112.9227 59.9580 64.1413 175.9144 42 R 4.0632 8.0265 117.3354 59.1836 29.5747 178.3338 43 I 4.4284 7.5241 118.9845 60.4866 36.9094 175.6299 44 T 4.2092 8.0874 111.5849 60.8682 72.7493 175.9366 45 G 3.9479 7.7380 110.2834 46.3925 0.0000 173.8794 46 T 3.7804 7.8255 113.0609 61.8979 67.7507 174.0268 47 R 3.9532 8.7113 127.0782 56.7884 31.9896 176.3788 48 A 4.0183 8.4022 121.0930 54.2423 18.4243 179.4866 49 K 3.7952 7.9124 115.8421 59.9443 32.2750 178.5698 50 Y 4.2276 7.8532 116.2349 60.9650 37.9851 177.4978 51 Q 3.9327 8.4292 120.5189 59.7532 28.9689 179.0392 52 R 3.8742 8.0682 118.4983 59.6138 29.9882 178.6938 53 Q 3.9352 8.0606 118.4212 59.0477 29.0627 178.2948 54 L 3.9825 8.9525 123.2190 57.4655 42.1326 178.4217 55 A 3.9132 8.3136 120.9458 55.5166 18.2102 179.3745 56 R 3.7296 7.6116 115.9005 59.6344 30.1843 178.6610 57 A 4.0026 7.5870 119.9337 55.4759 18.3291 179.5460 58 I 3.5889 7.4512 117.4051 64.5289 36.9973 178.6599 59 K 3.5594 7.5418 117.4256 59.3957 32.1292 179.0947 60 R 3.4978 7.6446 117.8686 59.2978 30.0173 179.0408 61 A 4.1020 7.9839 120.1450 55.1436 18.1268 179.5574 62 R 4.8321 7.5925 116.4635 57.9763 30.1425 177.5022 63 Y 4.9047 8.0799 115.3327 58.0759 38.8342 176.5575 64 L 4.6231 7.5990 118.4638 53.6257 42.2839 176.0108 65 S 3.8570 7.9616 110.7095 59.3210 60.7254 172.2855 66 L 4.4700 7.9140 116.7538 54.9670 42.0988 176.7613 67 L 4.5211 7.3205 117.6603 53.0340 45.5514 172.7227 68 P 5.0604 0.0000 0.0000 62.3006 32.6936 175.9249 69 Y 4.1459 8.9043 117.5488 61.1457 38.5803 176.0492 70 T 4.7999 7.4839 111.2956 60.8439 70.1876 173.5106 71 D 4.5102 8.4443 125.5008 56.4266 41.6109 177.3401 72 R 4.0083 8.0497 118.6663 59.8033 30.0970 175.2941 73 H 4.1899 7.7647 119.7523 56.8325 30.5991 173.0619 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 19 E 8.29 4.06 0.00 1.92 1.86 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 1.97 1.83 0.00 20 I 7.48 4.44 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.89 0.76 0.00 0.00 21 D 7.41 4.67 0.00 2.50 2.41 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 0.00 22 Y 8.20 4.42 0.00 3.11 3.08 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 0.00 0.00 0.00 0.00 23 K 6.93 3.75 0.00 1.66 1.43 0.00 1.36 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.18 1.67 7.81 24 D 8.93 4.66 0.00 2.71 2.59 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 25 I 7.63 3.75 1.89 0.00 0.00 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 1.73 0.63 1.02 0.00 0.00 26 A 7.85 3.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.00 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 1.48 0.00 0.00 28 L 7.81 4.35 0.00 1.72 1.82 1.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.74 4.12 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.74 7.81 30 N 8.41 4.47 0.00 2.17 2.31 0.00 0.00 6.85 7.36 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 31 Y 8.36 4.74 0.00 3.01 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 32 I 7.11 4.87 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 0.98 0.00 0.00 33 T 8.25 4.38 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 1.31 0.00 0.00 34 E 8.57 4.17 0.00 1.97 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 2.31 2.39 0.00 35 S 8.33 4.19 0.00 3.90 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 36 G 7.71 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 37 K 8.09 4.04 0.00 1.97 1.99 0.00 1.53 0.00 0.00 1.89 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.46 7.81 38 I 8.15 4.35 2.02 0.00 0.00 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 1.37 0.88 0.91 0.00 0.00 39 V 8.32 4.29 2.12 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 0.70 0.00 0.00 1.07 0.00 0.00 40 P 0.00 4.52 0.00 1.95 2.06 0.00 3.69 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 2.05 2.12 0.00 41 S 8.86 5.24 0.00 3.98 3.99 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 42 R 8.03 4.06 0.00 2.02 2.23 0.00 2.97 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 43 I 7.52 4.43 1.89 0.00 0.00 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 1.48 0.55 0.92 0.00 0.00 44 T 8.09 4.21 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 1.27 0.00 0.00 45 G 7.74 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 46 T 7.83 3.78 4.43 0.00 0.00 0.00 0.00 0.00 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 47 R 8.71 3.95 0.00 0.81 1.30 0.00 2.89 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.00 48 A 8.40 4.02 1.23 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 0.00 0.00 49 K 7.91 3.80 0.00 1.80 1.82 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.63 7.81 50 Y 7.85 4.23 0.00 3.14 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 51 Q 8.43 3.93 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 52 R 8.07 3.87 0.00 2.08 1.96 0.00 3.18 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 53 Q 8.06 3.94 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 54 L 8.95 3.98 0.00 1.67 1.69 -0.54 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.31 3.91 1.34 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 0.00 0.00 56 R 7.61 3.73 0.00 1.96 1.97 0.00 3.13 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 57 A 7.59 4.00 1.42 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 0.00 0.00 58 I 7.45 3.59 2.00 0.00 0.00 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 1.53 0.97 0.86 0.00 0.00 59 K 7.54 3.56 0.00 1.61 1.37 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.36 7.81 60 R 7.64 3.50 0.00 1.67 1.51 0.00 3.04 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 61 A 7.98 4.10 1.42 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 0.00 0.00 62 R 7.59 4.83 0.00 1.67 1.43 0.00 2.79 0.00 0.00 2.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 63 Y 8.08 4.90 0.00 2.91 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 64 L 7.60 4.62 0.00 1.62 1.72 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.96 3.86 0.00 4.05 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 66 L 7.91 4.47 0.00 1.88 1.76 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.32 4.52 0.00 1.66 1.50 0.93 1.02 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 68 P 0.00 5.06 0.00 2.43 2.11 0.00 3.79 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 2.01 2.02 0.00 69 Y 8.90 4.15 0.00 2.94 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 70 T 7.48 4.80 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 1.30 0.00 0.00 71 D 8.44 4.51 0.00 2.92 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 72 R 8.05 4.01 0.00 1.83 2.01 0.00 3.35 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 73 H 7.76 4.19 0.00 3.22 3.04 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00