NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3367 8.1593 117.3735 62.5862 70.0514 173.3951 2 P 4.3176 0.0000 0.0000 62.0098 32.6581 174.0917 3 D 4.4424 8.9243 121.9029 55.7152 41.4912 176.5370 4 C 4.8517 8.9459 119.6367 57.6346 46.5051 174.1177 5 V 4.7106 7.3596 110.1892 59.9464 36.1743 173.7594 6 T 4.9486 8.6292 118.6239 61.3382 72.0633 173.8460 7 G 3.9116 7.9777 111.4025 46.3035 0.0000 171.9847 8 K 4.8275 8.3923 118.8194 55.1287 33.3505 178.3030 9 V 3.8974 8.2182 122.0951 62.0034 30.5299 175.0882 10 E 4.2780 8.8977 130.3389 59.3045 30.1163 176.1978 11 Y 4.9681 7.0969 114.5740 56.4143 40.9966 173.2792 12 T 4.9715 8.6335 109.9384 59.8984 72.4517 173.2621 13 K 4.4529 8.3552 123.3276 54.9502 35.7134 174.4322 14 Y 4.4770 8.8075 129.3607 57.7269 40.2025 174.2737 15 N 4.9738 8.4644 124.0673 51.4574 41.1153 175.7724 16 D 4.4751 8.8100 119.7190 56.7252 41.4961 176.1439 17 D 4.8373 7.9692 117.4656 53.4616 39.8989 175.8390 18 D 4.0107 8.0614 115.2210 54.9667 39.3042 173.8972 19 T 4.5207 7.5792 109.8754 60.8728 71.5715 173.2394 20 F 5.0984 8.7300 123.1288 57.0190 42.3810 173.5698 21 T 5.3949 8.7746 123.5244 62.2865 71.3218 174.1917 22 V 4.7289 8.6154 122.5793 60.0894 35.5010 173.5924 23 K 4.7567 8.3317 124.8730 54.6252 34.3575 174.9083 24 V 4.3623 8.0120 127.1422 61.5133 34.6855 174.9420 25 G 3.6465 8.8012 116.3326 47.3455 0.0000 173.5330 26 D 4.8113 8.6939 124.5380 52.7502 40.0122 176.0859 27 K 4.8111 7.8132 118.7325 54.9770 35.8103 174.5672 28 E 4.9426 9.0056 125.3304 54.6955 31.4278 174.6547 29 L 5.6086 8.9321 126.2239 53.0460 46.6032 175.4242 30 F 5.6938 9.2805 115.1295 55.5293 41.8579 173.5781 31 T 4.2716 8.6248 113.9854 60.0314 70.2869 173.7326 32 N 4.9353 8.6978 124.7285 53.0247 38.1380 174.6909 33 R 4.3912 7.6116 120.1510 55.3621 30.8525 177.5251 34 W 4.3395 8.9003 124.0285 59.6377 28.9251 177.9920 35 N 4.3293 8.5161 116.1923 56.6054 37.8730 176.5666 36 L 4.2869 7.9591 118.3609 56.3525 41.8318 179.2262 37 Q 2.8931 7.8521 119.2806 58.5780 28.7760 178.5270 38 S 4.2512 7.7727 113.9133 60.3991 63.3376 176.3119 39 L 3.8883 7.2679 124.5419 57.7314 41.4388 179.1604 40 L 4.2969 8.4085 119.3734 57.8515 41.5981 179.3750 41 L 4.2161 7.9951 119.9280 58.1326 41.9962 179.2261 42 S 4.1843 8.0465 114.8664 61.3461 62.7226 176.4111 43 A 4.1337 8.4482 123.8774 54.9516 17.8168 179.5668 44 Q 3.9167 8.3484 118.1816 59.6248 29.0291 178.5785 45 I 3.8354 7.7209 119.7303 63.9058 37.2457 177.5757 46 T 4.4007 7.9264 108.0453 60.9430 69.1432 175.1189 47 G 3.9059 7.7399 109.2722 46.8200 0.0000 174.0252 48 M 4.3075 7.8977 118.9078 55.5151 33.5968 175.6288 49 T 4.7382 8.1720 117.5560 62.6592 70.2919 174.4523 50 V 4.8413 8.6829 119.9855 59.7812 35.2668 174.8029 51 T 4.9299 8.3375 119.5144 61.9030 71.3774 173.1393 52 I 4.5112 8.3005 127.4508 59.6923 39.2505 174.7238 53 K 4.9058 8.3125 126.7465 55.1442 33.4468 175.7795 54 T 4.4724 8.0237 117.3674 61.4338 70.2638 173.3784 55 N 4.4252 9.1191 124.3124 55.0718 39.3335 175.7337 56 A 4.4885 7.7816 124.6133 51.1247 18.1286 177.5299 57 C 4.8211 7.5861 125.0547 54.2547 37.2387 171.2256 58 H 4.9707 7.2221 117.8488 53.6247 31.6264 173.4990 59 N 4.7356 8.5551 117.9192 54.7861 38.7091 176.1654 60 G 4.0691 9.1638 111.1181 45.3421 0.0000 173.9721 61 G 3.9379 7.3713 106.9032 45.1786 0.0000 173.6504 62 G 3.8268 8.4247 108.3610 44.9692 0.0000 172.8422 63 F 5.1861 7.9095 114.8713 55.6949 40.6460 174.3824 64 S 4.4588 8.8423 111.8012 57.3416 64.5847 173.2437 65 E 4.7774 8.2903 121.7729 54.7330 31.5216 175.0087 66 V 4.6926 8.4123 123.4857 61.0190 35.1711 174.2806 67 I 4.4239 8.4296 127.7128 59.5094 39.8374 174.3671 68 F 4.9343 8.9159 125.9709 56.0627 40.6314 176.1477 69 R 4.3467 8.7934 122.4699 56.2197 30.4237 176.1045 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 T 8.16 4.34 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 1.21 0.00 0.00 2 P 0.00 4.32 0.00 2.18 2.16 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 3 D 8.92 4.44 0.00 2.53 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.95 4.85 0.00 2.89 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 5 V 7.36 4.71 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 0.69 0.00 0.00 0.82 0.00 0.00 6 T 8.63 4.95 4.19 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 1.16 0.00 0.00 7 G 7.98 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 8 K 8.39 4.83 0.00 1.65 1.75 0.00 1.80 0.00 0.00 2.30 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.27 7.81 9 V 8.22 3.90 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 0.76 0.00 0.00 0.95 0.00 0.00 10 E 8.90 4.28 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 2.45 2.31 0.00 11 Y 7.10 4.97 0.00 3.04 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 12 T 8.63 4.97 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 13 K 8.36 4.45 0.00 1.79 1.63 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 14 Y 8.81 4.48 0.00 3.25 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 15 N 8.46 4.97 0.00 2.72 2.63 0.00 0.00 6.26 8.90 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 16 D 8.81 4.48 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.84 0.00 2.85 2.73 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 18 D 8.06 4.01 0.00 3.09 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 19 T 7.58 4.52 4.48 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 1.48 0.00 0.00 20 F 8.73 5.10 0.00 2.92 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.77 5.39 4.31 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 1.31 0.00 0.00 22 V 8.62 4.73 2.26 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 0.63 0.00 0.00 0.94 0.00 0.00 23 K 8.33 4.76 0.00 0.87 0.74 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.05 1.15 7.81 24 V 8.01 4.36 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.77 0.00 0.00 25 G 8.80 3.65 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 0.00 0.00 0.00 26 D 8.69 4.81 0.00 2.76 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 27 K 7.81 4.81 0.00 1.60 1.66 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.44 7.81 28 E 9.01 4.94 0.00 2.11 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 2.25 2.28 0.00 29 L 8.93 5.61 0.00 1.69 1.86 0.72 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.28 5.69 0.00 3.09 3.12 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 31 T 8.62 4.27 2.69 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 0.00 0.00 1.07 0.00 0.00 32 N 8.70 4.94 0.00 2.96 3.03 0.00 0.00 6.17 7.66 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 33 R 7.61 4.39 0.00 1.80 1.92 0.00 3.24 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 34 W 8.90 4.34 0.00 3.32 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.52 4.33 0.00 2.77 2.93 0.00 0.00 7.19 6.74 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 36 L 7.96 4.29 0.00 1.95 1.85 1.00 1.00 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 37 Q 7.85 2.89 0.00 1.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 1.54 2.09 0.00 38 S 7.77 4.25 0.00 4.00 4.04 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 0.00 0.00 0.00 39 L 7.27 3.89 0.00 1.82 1.29 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.41 4.30 0.00 2.05 2.10 1.42 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.00 4.22 0.00 2.01 1.72 1.15 1.43 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 42 S 8.05 4.18 0.00 4.15 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 43 A 8.45 4.13 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 3.92 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 45 I 7.72 3.84 1.91 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 1.62 0.78 0.93 0.00 0.00 46 T 7.93 4.40 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 1.25 0.00 0.00 47 G 7.74 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 48 M 7.90 4.31 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 49 T 8.17 4.74 4.24 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 0.00 0.00 1.18 0.00 0.00 50 V 8.68 4.84 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 0.72 0.00 0.00 0.77 0.00 0.00 51 T 8.34 4.93 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 1.17 0.00 0.00 52 I 8.30 4.51 1.54 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.31 0.39 0.00 0.00 53 K 8.31 4.91 0.00 1.60 1.71 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.30 7.81 54 T 8.02 4.47 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 1.18 0.00 0.00 55 N 9.12 4.43 0.00 2.73 2.86 0.00 0.00 6.87 7.35 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 56 A 7.78 4.49 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 57 C 7.59 4.82 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 58 H 7.22 4.97 0.00 3.36 3.36 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.56 4.74 0.00 2.79 2.85 0.00 0.00 7.02 7.65 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 60 G 9.16 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 61 G 7.37 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 0.00 0.00 0.00 62 G 8.42 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.91 5.19 0.00 2.93 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 64 S 8.84 4.46 0.00 3.88 3.83 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 0.00 0.00 0.00 65 E 8.29 4.78 0.00 2.14 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 2.32 2.29 0.00 66 V 8.41 4.69 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 0.01 0.00 0.00 1.08 0.00 0.00 67 I 8.43 4.42 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.90 0.00 0.00 68 F 8.92 4.93 0.00 2.94 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.79 4.35 0.00 1.81 1.79 0.00 3.12 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00