NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.1935 8.1749 110.9389 61.6792 70.1297 173.6919 11 K 4.1520 9.0658 115.5201 56.6871 30.6381 174.3475 12 N 5.0530 8.2677 117.1450 51.4726 43.2857 174.5008 13 G 3.9122 8.4750 109.8376 44.9668 0.0000 173.1147 14 R 4.5390 8.2191 119.2340 54.0707 32.7750 174.3573 15 D 4.5109 7.6991 117.6771 55.1581 44.4446 175.8239 16 S 4.6602 7.4583 119.5071 58.2809 66.3643 176.8692 17 Q 3.5956 9.6088 115.5569 56.6648 26.4089 169.8913 18 A 3.4153 8.2509 123.4636 52.0680 15.1949 178.6171 19 K 3.6237 8.4973 123.8008 59.1937 29.2661 176.8331 20 R 3.6973 8.7015 113.6675 56.2783 28.6307 177.9028 21 L 3.4517 8.3867 123.7811 56.2746 41.3178 173.9462 22 G 3.9099 7.6097 101.8412 46.2556 0.0000 174.7840 23 V 4.3149 8.3727 131.3515 61.7019 31.4056 177.1919 24 K 4.4593 7.4940 119.1317 55.2199 31.9303 177.8410 25 R 4.6280 7.4673 116.0891 55.9795 34.8969 174.8736 26 Y 4.7737 8.2049 120.0656 55.0860 40.4658 174.0878 27 E 4.1472 8.5895 119.6482 56.9654 30.0665 177.0507 28 G 4.4153 8.9941 115.4569 45.8880 0.0000 172.7553 29 Q 3.4788 7.6732 121.0638 54.8090 30.3405 177.3893 30 V 4.6491 8.2144 117.6525 60.7019 30.7511 176.7979 31 V 4.7891 7.3324 129.2715 62.0914 33.0606 171.6794 32 R 5.2322 7.7222 127.1492 54.5688 30.1287 177.1468 33 A 4.1174 7.4864 123.8613 52.7824 18.3412 178.9591 34 G 4.7364 8.5596 101.2062 45.5127 0.0000 172.7760 35 N 4.7094 8.0138 118.9864 51.0797 37.5551 173.7481 36 I 4.1763 8.4646 123.8204 61.6966 36.7130 175.6926 37 L 4.2464 8.1637 128.0212 56.5327 41.5658 175.8455 38 V 5.4229 8.2266 115.1449 59.3991 35.2064 173.9987 39 R 4.2900 8.5017 128.5494 56.0905 31.1728 174.6012 40 Q 4.7093 8.1390 127.4170 57.5900 31.4439 170.9681 41 R 4.0962 8.1749 116.4533 57.3973 35.9333 176.5899 42 G 3.4721 7.1584 106.2168 47.5996 0.0000 172.7460 43 T 4.8246 7.2519 117.1239 61.5568 73.8151 174.4867 44 R 4.4214 7.9088 122.4799 57.3232 34.1348 173.8726 45 F 5.3234 9.0451 115.2316 56.0946 40.4187 174.7482 46 K 4.4369 7.0010 121.7005 52.9997 35.2432 172.7673 47 P 4.0676 0.0000 0.0000 62.2183 29.8420 175.6118 48 G 4.6872 8.5916 111.8661 48.8265 0.0000 173.2758 49 K 4.4030 8.3045 117.6097 55.7599 35.5614 176.0034 50 N 3.7594 8.7196 113.8858 54.7475 37.6141 174.7920 51 V 3.5839 8.6181 118.9183 62.9927 32.1954 176.7192 52 G 3.9043 8.0754 114.6402 44.1920 0.0000 172.5017 53 M 4.6015 8.2131 125.0671 56.7905 33.9621 174.7632 54 G 4.1306 8.4364 102.8872 45.7926 0.0000 173.2718 55 R 4.0632 8.8347 121.4498 57.1061 30.9041 175.6480 56 D 4.4462 9.3297 117.6899 55.7440 38.5339 175.4606 57 F 3.7505 7.0922 122.2107 60.4356 38.0623 178.7479 58 T 3.8238 6.4440 117.0929 62.0452 64.3715 171.8938 59 L 4.8267 8.1738 123.1256 54.3753 43.8086 176.1215 60 F 5.1463 9.5684 115.6032 56.1395 41.6085 172.2871 61 A 4.0429 9.0200 122.1653 51.7245 18.8840 175.7247 62 L 4.2439 7.1198 125.7554 56.7797 45.1113 180.8933 63 V 3.0343 7.8120 113.6210 65.8798 33.4207 175.7065 64 D 5.7482 8.2462 119.5767 55.5766 39.8551 174.5377 65 G 4.2266 7.2472 118.3148 45.4507 0.0000 173.2751 66 V 5.1123 8.6163 119.0728 58.9317 35.8768 173.6176 67 V 3.6277 8.2939 125.8616 61.9525 32.5118 175.6577 68 E 4.5223 8.6184 126.7553 53.9213 28.3241 176.9494 69 F 4.0618 9.2049 133.4324 57.7596 38.4454 173.2246 70 Q 5.0336 8.3842 122.2268 54.2299 32.4319 173.2835 71 D 4.9333 8.4230 118.5943 51.2161 41.6872 175.1505 72 R 3.8637 8.4451 123.6428 56.9820 30.8021 178.0713 73 G 3.9017 7.9790 114.3487 46.4732 0.0000 174.6918 74 R 4.2317 8.5500 124.4309 57.3409 30.6498 176.6666 75 L 4.0389 8.1331 119.0911 57.7382 41.9329 176.2556 76 G 4.1077 7.1920 104.5819 45.3908 0.0000 170.9717 77 R 4.3791 7.9083 117.6816 54.3392 32.6800 174.8494 78 Y 5.1141 9.0234 121.1251 56.2951 43.1088 175.2418 79 V 5.2835 8.2032 113.1093 58.5353 35.1133 175.6813 80 H 4.2809 9.3523 125.3162 60.7541 28.8799 177.5730 81 V 4.2615 6.7401 118.9855 62.3742 30.2891 174.9576 82 R 4.1977 8.5726 127.3816 55.8448 30.9738 174.6221 83 P 4.9070 0.0000 0.0000 60.8252 33.9570 177.2691 84 L 4.5788 8.3030 121.4079 54.4153 41.9038 176.0921 85 A 4.0971 8.8989 119.3080 52.9817 19.0274 176.8699 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 10 T 8.17 4.19 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 1.21 0.00 0.00 11 K 9.07 4.15 0.00 1.98 2.08 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.47 7.81 12 N 8.27 5.05 0.00 2.62 2.65 0.00 0.00 6.89 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 13 G 8.47 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 14 R 8.22 4.54 0.00 1.78 1.87 0.00 3.49 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 15 D 7.70 4.51 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.46 4.66 0.00 3.83 3.05 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 17 Q 9.61 3.60 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 18 A 8.25 3.42 1.39 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 0.00 0.00 19 K 8.50 3.62 0.00 1.93 1.90 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.45 7.81 20 R 8.70 3.70 0.00 1.90 2.30 0.00 3.41 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 21 L 8.39 3.45 0.00 1.77 1.97 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.61 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 23 V 8.37 4.31 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 0.96 0.00 0.00 0.97 0.00 0.00 24 K 7.49 4.46 0.00 2.00 1.88 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.27 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.76 1.59 7.81 25 R 7.47 4.63 0.00 1.78 1.78 0.00 3.30 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 26 Y 8.20 4.77 0.00 3.12 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 27 E 8.59 4.15 0.00 1.78 2.01 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 2.37 2.54 0.00 28 G 8.99 4.42 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 0.00 29 Q 7.67 3.48 0.00 1.40 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 30 V 8.21 4.65 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 1.03 0.00 0.00 0.95 0.00 0.00 31 V 7.33 4.79 1.93 0.00 0.00 0.00 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 0.77 0.00 0.00 32 R 7.72 5.23 0.00 1.79 1.98 0.00 3.35 0.00 0.00 3.29 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 33 A 7.49 4.12 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.56 4.74 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 0.00 0.00 0.00 35 N 8.01 4.71 0.00 2.80 2.84 0.00 0.00 7.02 7.32 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 36 I 8.46 4.18 1.90 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 1.38 0.10 0.91 0.00 0.00 37 L 8.16 4.25 0.00 1.86 1.80 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.23 5.42 2.10 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 1.10 0.00 0.00 0.98 0.00 0.00 39 R 8.50 4.29 0.00 1.99 1.82 0.00 3.32 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 40 Q 8.14 4.71 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.61 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 41 R 8.17 4.10 0.00 1.71 1.73 0.00 3.35 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 42 G 7.16 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.25 4.82 4.22 0.00 0.00 0.00 0.00 0.00 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 44 R 7.91 4.42 0.00 1.88 1.96 0.00 3.46 0.00 0.00 3.33 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.99 0.00 45 F 9.05 5.32 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.00 4.44 0.00 0.93 1.55 0.00 1.47 0.00 0.00 1.76 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.16 7.81 47 P 0.00 4.07 0.00 2.05 2.08 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 48 G 8.59 4.69 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 0.00 0.00 0.00 0.00 49 K 8.30 4.40 0.00 2.03 1.66 0.00 2.09 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.45 7.81 50 N 8.72 3.76 0.00 2.90 2.82 0.00 0.00 6.44 7.68 0.00 0.00 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 V 8.62 3.58 2.03 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 0.65 0.00 0.00 0.95 0.00 0.00 52 G 8.08 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 53 M 8.21 4.60 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 54 G 8.44 4.13 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 0.00 0.00 0.00 55 R 8.83 4.06 0.00 1.80 1.92 0.00 3.35 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 56 D 9.33 4.45 0.00 2.86 2.79 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 0.00 0.00 0.00 57 F 7.09 3.75 0.00 3.39 3.26 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 58 T 6.44 3.82 4.32 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 1.17 0.00 0.00 59 L 8.17 4.83 0.00 1.72 1.58 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 F 9.57 5.15 0.00 3.18 3.04 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 61 A 9.02 4.04 1.09 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 0.00 0.00 62 L 7.12 4.24 0.00 1.40 1.14 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.81 3.03 1.94 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 0.81 0.00 0.00 0.86 0.00 0.00 64 D 8.25 5.75 0.00 2.85 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 65 G 7.25 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 0.00 0.00 0.00 0.00 66 V 8.62 5.11 2.20 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 0.77 0.00 0.00 0.99 0.00 0.00 67 V 8.29 3.63 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 0.53 0.00 0.00 0.56 0.00 0.00 68 E 8.62 4.52 0.00 2.16 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 2.52 2.49 0.00 69 F 9.20 4.06 0.00 3.04 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 Q 8.38 5.03 0.00 2.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 71 D 8.42 4.93 0.00 2.87 2.29 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 72 R 8.45 3.86 0.00 1.45 1.81 0.00 3.35 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 73 G 7.98 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.55 4.23 0.00 1.77 1.95 0.00 3.42 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 75 L 8.13 4.04 0.00 1.61 1.66 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.19 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 77 R 7.91 4.38 0.00 0.67 0.66 0.00 3.04 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.00 78 Y 9.02 5.11 0.00 2.76 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 79 V 8.20 5.28 1.94 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 0.53 0.00 0.00 0.82 0.00 0.00 80 H 9.35 4.28 0.00 3.20 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 6.74 4.26 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 0.87 0.00 0.00 0.93 0.00 0.00 82 R 8.57 4.20 0.00 1.81 1.85 0.00 3.18 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 83 P 0.00 4.91 0.00 2.05 2.03 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 84 L 8.30 4.58 0.00 1.55 0.73 0.92 0.97 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 85 A 8.90 4.10 1.21 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