NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1115 8.2085 108.0311 46.2292 0.0000 172.4807 2 A 5.2094 8.5624 123.6702 49.7776 22.6836 173.1327 3 M 4.9866 9.5324 119.0573 53.4142 37.1044 172.6767 4 E 5.0796 9.3544 120.1566 54.1148 32.9492 174.8443 5 A 4.5241 9.0796 129.5763 52.3296 19.3344 177.5707 6 I 4.2787 8.9931 113.4595 60.7435 38.9974 174.8452 7 Y 5.0267 7.7855 118.5200 56.2856 42.1788 174.3906 8 A 4.8085 8.8505 122.9434 51.9766 20.0758 176.4069 9 Y 4.8599 9.3556 122.3560 55.8523 42.4944 173.4396 10 E 4.6629 8.0416 127.1687 54.1976 30.7797 175.3230 11 A 4.2522 8.8039 129.7204 52.7935 19.1746 177.4917 12 Q 4.4375 9.5777 120.4489 51.4243 28.5030 175.0789 13 G 4.1117 8.4162 109.4352 43.8384 0.0000 172.2604 14 D 4.3558 8.5636 119.7802 56.7482 41.6522 176.8454 15 D 4.6706 8.0441 116.5620 53.8050 39.9779 175.0170 16 E 5.5161 7.8849 119.4023 54.7350 32.5989 175.2160 17 I 4.7356 8.5306 114.7105 59.2628 40.3081 175.4046 18 S 4.9348 8.6973 120.1899 58.3878 63.9058 173.5401 19 I 4.9812 8.8767 115.9501 59.4459 41.3973 173.7249 20 D 5.3420 9.4531 122.8428 51.5439 44.9069 173.7859 21 P 4.4846 0.0000 0.0000 64.8330 31.6416 177.0479 22 G 4.0691 8.9878 111.8427 44.5284 0.0000 173.4627 23 D 4.5041 8.0248 120.4068 54.5237 42.0423 175.2969 24 I 4.7654 8.1796 122.8227 59.9029 39.1099 175.0931 25 I 4.5713 8.8262 127.2176 59.4995 40.5377 174.9250 26 T 4.2514 8.9009 125.1406 63.3836 69.4634 173.9083 27 V 4.1580 8.7620 128.1193 62.9363 31.6290 175.3335 28 I 4.3631 8.6511 128.2346 62.5851 39.1168 176.2401 29 R 4.5735 8.6290 122.8385 54.3849 32.9752 175.1971 30 G 4.1225 8.8727 113.6382 45.5931 0.0000 172.5284 31 D 4.7174 8.8868 120.2686 54.0014 41.5322 175.8461 32 D 4.7323 9.0478 124.4443 52.7517 39.9536 175.8858 33 G 3.7339 8.4226 109.9547 46.0659 0.0000 175.6759 34 S 4.2334 8.5137 114.6642 59.6261 63.5581 175.3289 35 G 3.8196 8.5503 109.6033 44.4320 0.0000 172.6672 36 W 5.0698 8.1573 119.4102 54.9691 32.9172 174.5182 37 T 4.4927 8.1341 120.0851 61.8596 71.1372 172.6677 38 Y 4.9934 8.7228 126.7516 56.7512 40.5414 174.8209 39 G 4.5827 8.5225 113.3432 45.7657 0.0000 170.3115 40 E 5.1538 9.0038 120.1981 54.4313 33.0271 174.7521 41 C 4.8013 8.8794 126.9768 57.6820 34.5698 173.3697 42 D 4.3359 9.8642 127.3064 55.3825 39.2210 174.1289 43 G 3.9230 8.3943 103.7785 45.1009 0.0000 173.0956 44 L 4.7081 7.8761 120.6802 52.8416 43.7847 175.7026 45 K 4.8335 8.8044 123.3632 54.3627 34.2650 176.2901 46 G 4.1425 7.6406 109.7486 46.4510 0.0000 171.1727 47 L 5.3056 8.4668 120.4442 54.3870 43.0235 176.7082 48 F 5.5655 8.9750 117.1149 54.4180 42.2011 172.0598 49 P 3.7621 0.0000 0.0000 62.2855 31.8367 177.0212 50 T 3.7681 8.1965 121.3565 66.6518 68.4212 176.3347 51 S 4.3766 7.8305 112.4119 60.1143 63.4374 173.9631 52 Y 4.6309 8.2968 119.1850 58.6038 37.8007 174.3055 53 C 5.3645 8.1647 117.0322 58.0645 32.7399 174.2846 54 K 4.2197 9.0291 119.5388 56.8028 32.3333 176.5112 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 G 8.21 4.11 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 0.00 0.00 0.00 2 A 8.56 5.21 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.53 4.99 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 4 E 9.35 5.08 0.00 1.92 1.72 0.00 0.00 0.00 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 2.37 0.00 5 A 9.08 4.52 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 6 I 8.99 4.28 1.46 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.52 0.81 0.00 0.00 7 Y 7.79 5.03 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.85 4.81 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 9 Y 9.36 4.86 0.00 2.70 2.77 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 0.00 0.00 0.00 10 E 8.04 4.66 0.00 1.89 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 0.00 2.05 2.20 0.00 11 A 8.80 4.25 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 12 Q 9.58 4.44 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.00 0.00 0.00 0.00 0.00 0.00 2.24 2.49 0.00 13 G 8.42 4.11 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 0.00 0.00 0.00 14 D 8.56 4.36 0.00 2.65 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 15 D 8.04 4.67 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.88 5.52 0.00 2.11 2.14 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 1.99 2.08 0.00 17 I 8.53 4.74 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 1.04 0.00 0.00 18 S 8.70 4.93 0.00 3.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.88 4.98 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.82 0.00 0.00 20 D 9.45 5.34 0.00 2.54 2.57 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 21 P 0.00 4.48 0.00 2.01 1.95 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 22 G 8.99 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.02 4.50 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.77 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.88 0.00 0.00 25 I 8.83 4.57 1.47 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.77 0.38 0.00 0.00 26 T 8.90 4.25 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 1.21 0.00 0.00 27 V 8.76 4.16 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 0.82 0.00 0.00 1.07 0.00 0.00 28 I 8.65 4.36 2.15 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 1.17 0.00 0.00 29 R 8.63 4.57 0.00 1.94 1.85 0.00 3.10 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 30 G 8.87 4.12 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 0.00 0.00 0.00 31 D 8.89 4.72 0.00 2.57 2.56 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 0.00 0.00 0.00 0.00 32 D 9.05 4.73 0.00 2.81 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 33 G 8.42 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.51 4.23 0.00 4.18 4.15 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 35 G 8.55 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 36 W 8.16 5.07 0.00 3.20 2.97 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 37 T 8.13 4.49 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 1.24 0.00 0.00 38 Y 8.72 4.99 0.00 3.11 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 39 G 8.52 4.58 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 0.00 0.00 0.00 40 E 9.00 5.15 0.00 1.90 1.69 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 2.14 2.19 0.00 41 C 8.88 4.80 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.86 4.34 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.39 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 0.00 0.00 0.00 44 L 7.88 4.71 0.00 1.70 1.58 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.80 4.83 0.00 1.66 1.56 0.00 1.94 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.41 7.81 46 G 7.64 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 0.00 0.00 0.00 47 L 8.47 5.31 0.00 1.49 1.68 0.68 1.19 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 48 F 8.98 5.57 0.00 3.08 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 49 P 0.00 3.76 0.00 1.43 0.71 0.00 3.41 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.44 0.00 50 T 8.20 3.77 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 1.17 0.00 0.00 51 S 7.83 4.38 0.00 3.98 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 52 Y 8.30 4.63 0.00 3.23 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 53 C 8.16 5.36 0.00 3.23 2.97 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 54 K 9.03 4.22 0.00 1.73 1.63 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.33 7.81