NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.0789 8.4444 120.1979 56.1691 31.6205 175.7432 20 I 4.3105 7.3941 113.2996 60.7017 43.2566 172.8086 21 D 4.8136 7.6957 118.4098 53.2983 43.3730 174.8493 22 Y 4.4379 8.4452 121.9225 59.1277 38.8592 177.2032 23 K 3.7112 6.1113 118.6337 58.9546 33.0655 177.2112 24 D 4.5702 9.0023 121.7796 53.3917 38.7430 175.5740 25 I 3.6193 7.9139 124.3950 64.9135 38.1019 175.5224 26 A 3.8601 8.2759 117.9513 55.5968 17.1509 178.8828 27 T 4.0343 8.8484 111.8751 66.6065 69.1402 176.6708 28 L 4.1650 7.8328 119.9889 57.6909 41.4826 179.4782 29 K 3.9865 8.1403 117.4533 58.9344 32.0664 178.5569 30 N 4.5474 7.8635 116.2792 55.9274 39.5839 177.1949 31 Y 4.3308 7.5862 114.4689 57.1782 37.1763 176.8233 32 I 4.5212 7.2079 119.2553 60.0495 41.8014 175.7171 33 T 4.1778 8.6521 120.2271 61.4648 67.9186 174.9614 34 E 4.1117 8.5368 123.3768 59.1007 29.5535 179.0200 35 S 5.2832 7.4164 114.4647 60.2146 63.4356 174.8194 36 G 3.7857 7.9311 111.6298 45.7619 0.0000 174.8796 37 K 3.9830 8.1587 119.9070 56.3814 32.8218 176.4797 38 I 4.5333 8.0371 113.8919 60.6401 38.7334 174.7568 39 V 4.1994 8.0003 119.7041 60.4941 32.2581 173.7073 40 P 4.4962 0.0000 0.0000 62.8265 31.8862 177.0272 41 S 4.6671 8.3631 112.2428 59.5270 63.5693 176.1195 42 R 4.1913 7.9388 118.3541 57.5953 30.1869 176.8926 43 I 4.1836 7.4503 117.9636 63.2599 38.4298 176.9042 44 T 3.7916 7.5395 108.8213 63.8040 68.4961 175.2432 45 G 3.7535 7.8455 108.5798 46.4255 0.0000 173.4607 46 T 4.5807 7.8537 109.1020 59.9874 71.0743 174.5624 47 R 4.0485 7.4095 120.0555 54.9274 32.2147 177.1632 48 A 3.9006 8.3391 121.4674 55.7336 18.1052 179.8620 49 K 3.8187 7.9992 115.4653 60.1021 32.1414 178.4047 50 Y 4.4035 8.1878 116.0240 61.5358 37.2876 178.5060 51 Q 4.0055 8.2152 119.7512 59.6420 29.2000 178.5068 52 R 3.9417 8.0954 118.7060 59.5145 30.0312 178.7206 53 Q 3.9991 8.9680 118.0183 59.2002 28.7728 179.4713 54 L 3.7973 8.2867 121.0464 58.0156 42.2897 178.3913 55 A 4.0222 8.5419 121.0448 55.5422 18.3318 179.3533 56 R 3.8019 8.0645 115.6489 59.6397 30.2559 178.8153 57 A 4.0236 7.8224 119.5858 55.6196 18.5115 179.1919 58 I 3.5562 8.3940 117.9731 65.0754 37.1792 178.3389 59 K 3.9868 8.1255 118.1403 59.7224 31.7621 179.2333 60 R 3.9023 7.5838 116.3652 59.6452 30.4818 178.2758 61 A 4.2733 8.1042 119.9574 55.4781 18.2968 179.9864 62 R 4.5095 7.6819 117.0639 59.1710 29.9058 178.7273 63 Y 4.6213 8.7488 114.5271 57.9788 38.8603 176.1600 64 L 4.7493 7.8414 118.5632 54.4786 43.6057 179.3357 65 S 4.2582 8.6721 117.6112 59.3549 63.9987 172.1895 66 L 3.9978 8.4645 118.0003 57.4581 41.0463 178.9497 67 L 4.2072 5.8986 121.9655 54.2896 43.4204 175.7673 68 P 5.0317 0.0000 0.0000 63.3808 32.6382 176.1404 69 Y 4.7350 8.7402 110.3747 59.1518 44.4007 174.6696 70 T 4.9970 7.4936 106.6330 60.1463 71.9106 173.9331 71 D 4.5501 8.7710 118.2620 55.5201 40.5373 178.0055 72 R 4.2738 8.0472 119.3380 57.8491 31.5768 176.1179 73 H 4.3449 7.8914 117.4802 56.2182 29.7633 173.2300 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 8.44 4.08 0.00 1.85 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 0.00 2.09 2.12 0.00 20 I 7.39 4.31 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.86 0.00 0.00 21 D 7.70 4.81 0.00 2.61 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.44 0.00 3.13 3.02 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 23 K 6.11 3.71 0.00 1.60 1.53 0.00 1.26 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.63 1.20 7.81 24 D 9.00 4.57 0.00 2.62 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 25 I 7.91 3.62 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.29 0.89 0.00 0.00 26 A 8.28 3.86 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 27 T 8.85 4.03 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 28 L 7.83 4.17 0.00 1.87 1.74 1.01 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.14 3.99 0.00 1.90 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.74 7.81 30 N 7.86 4.55 0.00 3.04 2.86 0.00 0.00 7.00 6.93 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 31 Y 7.59 4.33 0.00 2.90 3.02 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 32 I 7.21 4.52 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.98 0.00 0.00 33 T 8.65 4.18 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 1.32 0.00 0.00 34 E 8.54 4.11 0.00 2.00 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 0.00 2.31 2.33 0.00 35 S 7.42 5.28 0.00 3.90 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 36 G 7.93 3.79 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 0.00 0.00 0.00 37 K 8.16 3.98 0.00 1.98 2.01 0.00 1.53 0.00 0.00 1.89 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.47 7.81 38 I 8.04 4.53 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.95 0.00 0.00 39 V 8.00 4.20 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 0.79 0.00 0.00 0.89 0.00 0.00 40 P 0.00 4.50 0.00 2.23 2.00 0.00 3.64 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 41 S 8.36 4.67 0.00 4.04 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 0.00 42 R 7.94 4.19 0.00 1.83 2.02 0.00 3.20 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 43 I 7.45 4.18 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.88 0.00 0.00 44 T 7.54 3.79 4.27 0.00 0.00 0.00 0.00 0.00 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 45 G 7.85 3.75 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 0.00 0.00 0.00 46 T 7.85 4.58 4.77 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 1.61 0.00 0.00 47 R 7.41 4.05 0.00 0.67 1.41 0.00 3.11 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.99 0.00 48 A 8.34 3.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.82 0.00 1.87 2.14 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.55 7.81 50 Y 8.19 4.40 0.00 3.14 2.93 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 0.00 0.00 0.00 0.00 51 Q 8.22 4.01 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 52 R 8.10 3.94 0.00 2.06 1.96 0.00 3.21 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 53 Q 8.97 4.00 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 54 L 8.29 3.80 0.00 1.85 1.55 -0.22 0.79 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 55 A 8.54 4.02 1.41 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 0.00 0.00 56 R 8.06 3.80 0.00 1.82 1.99 0.00 3.29 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 1.91 1.82 0.00 57 A 7.82 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.56 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.11 0.92 0.00 0.00 59 K 8.13 3.99 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.53 7.81 60 R 7.58 3.90 0.00 2.02 1.77 0.00 2.96 0.00 0.00 2.70 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 61 A 8.10 4.27 1.54 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 0.00 0.00 0.00 62 R 7.68 4.51 0.00 1.87 0.98 0.00 2.56 0.00 0.00 3.04 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 63 Y 8.75 4.62 0.00 2.87 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 64 L 7.84 4.75 0.00 2.08 1.68 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.67 4.26 0.00 4.18 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 66 L 8.46 4.00 0.00 1.64 1.57 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 L 5.90 4.21 0.00 1.59 1.48 0.97 0.88 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 68 P 0.00 5.03 0.00 2.11 1.84 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 69 Y 8.74 4.74 0.00 2.88 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 70 T 7.49 5.00 4.28 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 1.27 0.00 0.00 71 D 8.77 4.55 0.00 2.77 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 72 R 8.05 4.27 0.00 1.81 2.01 0.00 3.23 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 73 H 7.89 4.34 0.00 3.09 3.12 0.00 5.73 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