NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9055 8.3544 109.7348 44.7947 0.0000 173.6230 3 K 3.7352 8.6213 125.7720 55.7195 32.9459 170.3462 4 V 4.5064 8.6253 124.4305 61.3021 35.6309 173.3089 5 Y 5.1752 8.7859 123.5997 56.0738 41.5143 174.6001 6 K 4.5661 8.5853 121.7449 54.4595 36.0266 174.8281 7 K 4.8354 8.4256 123.6512 54.4777 35.0217 175.5616 8 V 4.4782 8.9175 124.7560 61.0212 34.6321 173.6371 9 E 5.0165 8.7708 127.9540 54.9084 30.6428 174.7997 10 L 4.9237 8.9497 126.4534 52.8273 46.0901 175.6196 11 V 4.6788 8.2893 119.9155 61.2594 33.7449 174.9637 12 G 4.2065 8.8919 116.0956 45.4305 0.0000 172.3062 13 T 5.3525 8.1266 112.1981 60.0890 72.2579 172.9795 14 S 4.6763 8.6943 114.9464 57.7838 65.9210 175.4467 15 E 4.5009 8.9996 124.4012 57.4495 29.9969 177.9247 16 E 4.1972 8.4535 118.8564 57.0950 30.1523 176.4901 17 G 3.3207 7.0227 104.0245 44.2476 0.0000 173.4643 18 L 3.8628 7.5309 118.1198 57.7865 41.5242 179.3221 19 E 3.9009 8.0484 117.7895 59.4653 29.3844 179.1461 20 A 3.9608 7.9324 119.9575 55.0174 18.5319 179.4283 21 A 4.0595 7.7310 118.9921 55.2648 18.4748 179.8933 22 I 3.4707 7.6741 118.3004 64.6623 37.0960 178.6307 23 Q 3.8833 8.3251 118.9525 58.7450 28.6084 178.7283 24 A 3.9207 8.1930 121.6989 55.2385 18.3893 179.5183 25 A 3.9049 7.7615 118.8100 55.3922 18.4520 179.9306 26 L 3.8416 7.9129 117.2559 57.5719 41.4163 179.4920 27 A 3.9432 7.9994 120.4011 55.2439 18.7122 179.4023 28 R 3.9167 7.8753 116.5324 59.4023 30.1200 178.5379 29 A 3.9150 8.1512 120.8185 55.0848 18.1381 179.5518 30 R 3.7941 7.8580 116.1168 59.1835 30.1088 178.5945 31 K 4.1593 7.6376 117.6192 58.5698 32.1221 177.5594 32 T 4.5338 7.6699 104.9272 60.4535 70.2296 173.4095 33 L 4.4498 7.8140 122.1686 52.8403 44.2356 175.9353 34 R 4.4633 7.9264 120.5611 55.5787 32.9906 175.0094 35 H 4.1738 8.4907 113.7301 56.7811 26.0257 175.3793 36 L 4.4780 8.1326 118.7169 55.5421 42.1980 176.1383 37 D 5.2032 9.4330 123.1877 55.2256 43.2316 176.2492 38 W 5.5612 7.8533 113.3102 54.9863 32.0795 173.2968 39 F 5.3679 8.4274 114.0581 55.3236 41.0349 173.8553 40 E 4.6920 9.1993 118.7135 54.7390 33.3968 174.9327 41 V 4.2745 8.7236 125.1600 62.8707 31.8118 175.4552 42 K 4.5287 9.2538 127.4040 57.7541 33.8079 176.7744 43 E 4.8338 7.9769 117.1580 54.7725 34.3380 174.4003 44 I 5.0534 8.4109 123.2978 59.7627 40.0482 174.9699 45 R 4.5820 8.9081 123.1943 56.4105 33.3001 173.3044 46 G 4.1194 7.8505 105.0679 46.9240 0.0000 172.3345 47 T 4.8365 8.1345 109.8407 59.8410 71.9821 173.4308 48 I 4.8201 8.2251 122.0335 59.6124 40.4276 175.7532 49 G 4.2064 9.0083 116.2572 44.9408 0.0000 173.7970 50 E 3.8941 8.8680 119.8532 58.7472 29.9919 178.4640 51 A 4.1817 7.8567 119.8918 52.9913 20.0361 177.2593 52 G 3.9794 7.3851 100.6992 43.2160 0.0000 176.0465 53 V 3.7290 8.3226 126.0942 63.2846 31.1054 175.0717 54 K 4.2670 8.6242 130.5446 58.3035 32.5354 175.7578 55 E 4.9402 8.1803 116.9366 54.6128 33.5497 173.4986 56 Y 4.5980 9.0382 120.3307 57.7744 39.7827 174.5047 57 Q 5.0755 9.6444 122.0301 54.1059 33.0341 174.3894 58 V 4.7669 8.7670 123.5559 61.0888 34.5602 174.2373 59 V 4.7381 8.8645 129.4415 61.9187 32.8236 174.7257 60 L 5.2222 9.0866 127.2040 54.5296 44.5582 174.4631 61 E 5.0542 9.2332 119.8591 54.8402 32.1313 175.1051 62 V 4.5500 9.0584 123.7914 60.9939 34.2759 174.3269 63 G 2.9954 8.1035 115.5005 43.8490 0.0000 172.2412 64 F 5.6611 8.1704 118.0446 54.9444 41.9338 173.5614 65 R 4.3321 8.8454 121.8548 56.2329 30.4691 176.0518 66 L 4.4819 8.3644 126.9155 54.3857 42.4797 177.0172 67 E 4.0190 9.1919 122.0102 56.8503 30.5629 176.7991 68 E 4.1084 8.1758 118.8301 56.7765 29.3553 176.1064 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 2 G 8.35 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 0.00 0.00 0.00 3 K 8.62 3.74 0.00 1.78 1.55 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.10 1.34 7.81 4 V 8.63 4.51 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 1.02 0.00 0.00 0.90 0.00 0.00 5 Y 8.79 5.18 0.00 3.06 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 6 K 8.59 4.57 0.00 1.48 0.74 0.00 1.57 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.11 1.27 7.81 7 K 8.43 4.84 0.00 1.60 1.61 0.00 2.10 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.05 1.36 7.81 8 V 8.92 4.48 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 0.97 0.00 0.00 1.13 0.00 0.00 9 E 8.77 5.02 0.00 2.03 1.85 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 2.23 2.46 0.00 10 L 8.95 4.92 0.00 1.56 1.48 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.29 4.68 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 8.89 4.21 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 0.00 0.00 0.00 13 T 8.13 5.35 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 1.26 0.00 0.00 14 S 8.69 4.68 0.00 3.91 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 15 E 9.00 4.50 0.00 2.04 2.02 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 2.33 2.31 0.00 16 E 8.45 4.20 0.00 1.96 1.98 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 2.33 2.27 0.00 17 G 7.02 3.32 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 0.00 18 L 7.53 3.86 0.00 1.60 1.67 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.05 3.90 0.00 2.00 1.97 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 2.39 2.44 0.00 20 A 7.93 3.96 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 21 A 7.73 4.06 1.44 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 0.00 0.00 0.00 22 I 7.67 3.47 1.83 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 1.38 0.77 0.21 0.00 0.00 23 Q 8.33 3.88 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 24 A 8.19 3.92 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 25 A 7.76 3.90 1.33 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 0.00 0.00 0.00 26 L 7.91 3.84 0.00 1.73 1.64 0.64 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.00 3.94 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 28 R 7.88 3.92 0.00 1.93 2.02 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.15 3.92 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 30 R 7.86 3.79 0.00 1.93 2.06 0.00 3.25 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 31 K 7.64 4.16 0.00 1.90 1.81 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.59 7.81 32 T 7.67 4.53 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 1.16 0.00 0.00 33 L 7.81 4.45 0.00 1.33 0.65 0.56 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.93 4.46 0.00 1.62 1.47 0.00 3.31 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 35 H 8.49 4.17 0.00 3.67 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.13 4.48 0.00 1.67 1.67 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.43 5.20 0.00 3.09 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 38 W 7.85 5.56 0.00 3.25 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 5.37 0.00 3.05 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 40 E 9.20 4.69 0.00 1.99 1.92 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 2.43 2.52 0.00 41 V 8.72 4.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.15 0.00 0.00 42 K 9.25 4.53 0.00 1.66 1.86 0.00 1.88 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.45 7.81 43 E 7.98 4.83 0.00 1.89 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 0.00 2.31 2.36 0.00 44 I 8.41 5.05 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.99 0.00 0.00 45 R 8.91 4.58 0.00 1.80 2.03 0.00 3.06 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 46 G 7.85 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 47 T 8.13 4.84 4.20 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 1.18 0.00 0.00 48 I 8.23 4.82 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 1.21 0.62 0.92 0.00 0.00 49 G 9.01 4.21 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 0.00 0.00 0.00 50 E 8.87 3.89 0.00 1.93 1.97 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 2.28 2.29 0.00 51 A 7.86 4.18 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 52 G 7.39 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 0.00 0.00 0.00 53 V 8.32 3.73 1.78 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 -0.27 0.00 0.00 0.72 0.00 0.00 54 K 8.62 4.27 0.00 1.81 1.77 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.35 7.81 55 E 8.18 4.94 0.00 2.02 1.95 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 2.13 2.24 0.00 56 Y 9.04 4.60 0.00 3.02 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 57 Q 9.64 5.08 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.77 4.77 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 0.97 0.00 0.00 0.96 0.00 0.00 59 V 8.86 4.74 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 0.96 0.00 0.00 0.95 0.00 0.00 60 L 9.09 5.22 0.00 2.00 1.77 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.23 5.05 0.00 1.94 1.85 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 2.26 2.26 0.00 62 V 9.06 4.55 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 1.05 0.00 0.00 0.91 0.00 0.00 63 G 8.10 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 0.00 0.00 0.00 64 F 8.17 5.66 0.00 3.31 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 65 R 8.85 4.33 0.00 1.95 1.95 0.00 3.10 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.13 0.00 66 L 8.36 4.48 0.00 1.63 1.57 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.19 4.02 0.00 2.00 1.90 0.00 0.00 0.00 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 2.42 0.00 68 E 8.18 4.11 0.00 2.04 2.24 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 2.26 2.31 0.00