NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5379 0.0000 0.0000 62.3891 34.1799 174.4561 3 K 4.8114 8.4155 119.0325 55.5089 34.6646 173.2918 4 H 5.2323 9.6992 124.8690 54.4801 30.9666 175.3273 5 E 4.9303 9.5502 125.8404 55.3571 30.9872 175.0359 6 F 5.4033 9.6125 125.2095 55.7451 43.3731 173.8932 7 S 5.0840 9.2546 116.6701 57.2377 63.8531 173.0879 8 V 4.7788 8.3073 126.5816 60.8928 34.0389 176.1998 9 D 4.7303 8.9396 128.9733 54.6314 38.2577 173.4382 10 M 4.4719 7.9133 119.2236 53.6672 33.3890 176.3354 11 T 4.1887 8.5426 121.5503 65.7489 69.5272 174.6689 12 C 4.8500 7.5360 114.6961 55.8914 34.0408 174.7595 13 G 3.7355 8.6930 106.3200 47.6033 0.0000 176.0655 14 G 3.6054 7.9982 107.6374 47.9150 0.0000 175.2493 15 C 4.1114 8.0342 120.7891 62.0242 31.6868 175.2104 16 A 3.9871 7.9476 122.3572 55.2207 17.9539 179.2618 17 E 3.8997 8.4232 117.6044 59.1112 29.5996 178.8432 18 A 3.9435 7.9604 120.9985 55.1820 18.4557 179.7245 19 V 3.3677 7.7905 116.6947 65.9925 31.5164 177.9226 20 S 3.5103 7.8229 112.8541 61.5593 62.1497 176.6095 21 R 3.9562 7.9398 120.4346 59.2641 29.8859 179.4107 22 V 3.6190 7.9035 112.4173 64.2516 31.3978 178.7396 23 L 3.8243 7.6967 118.7107 57.6883 41.2343 178.8181 24 N 4.3029 8.1324 115.6948 56.4727 38.6351 176.7300 25 K 3.9954 8.0989 119.3960 59.5818 32.3499 177.9228 26 L 4.0243 7.4894 118.9346 56.3218 42.0741 178.0448 27 G 3.9285 8.3970 107.0519 45.0391 0.0000 172.8569 28 G 4.1696 8.6785 103.7742 46.5461 0.0000 173.8326 29 V 4.8181 7.3052 107.3864 58.9912 35.8194 175.3793 30 K 4.7098 9.1902 125.0222 54.7759 34.8227 174.4809 31 Y 5.4868 7.8282 123.8341 55.4703 41.8500 174.1744 32 D 4.7484 9.2600 119.4073 52.9743 44.4649 173.9343 33 I 4.6714 8.6814 127.2984 60.0155 38.9651 174.8672 34 D 4.7014 9.4043 128.1550 52.5844 42.3256 176.7248 35 L 3.9388 8.6371 128.7060 57.7506 42.5578 177.3495 36 P 4.2760 0.0000 0.0000 65.4027 31.2907 176.9081 37 N 4.6324 8.4550 112.6607 52.4176 39.1358 174.8619 38 K 3.8948 7.8317 117.1904 57.7399 30.4378 174.5731 39 K 5.2681 7.9355 115.4727 54.7820 36.9579 176.4828 40 V 4.8204 8.9667 121.5965 61.7881 35.1180 173.1312 41 C 5.3495 9.3210 128.8696 57.8188 33.9124 172.2685 42 I 5.1336 8.9522 126.5470 59.6006 40.3431 173.8877 43 E 5.0366 9.0518 129.1846 55.4294 30.7676 174.7875 44 S 4.8879 8.8011 120.1998 58.4257 65.9834 175.1262 45 E 4.5054 8.8527 120.8858 56.3081 30.2024 176.5800 46 H 4.2771 7.7793 116.5514 55.6075 29.5013 176.0136 47 S 4.2229 8.5348 117.6382 58.8732 64.4828 175.2184 48 M 3.7643 8.6336 124.5967 59.2023 31.7647 178.4591 49 D 4.2739 8.0266 118.1284 57.5764 40.9224 178.6983 50 T 3.8102 7.8391 115.6556 66.6492 68.4646 176.3454 51 L 3.7744 8.0915 121.0395 57.6442 41.6397 179.2945 52 L 3.7938 8.6578 120.5623 58.1189 41.8003 178.9047 53 A 3.9524 7.9618 119.5795 55.3588 18.4859 179.2580 54 T 3.8848 8.0163 114.5284 67.0391 68.7121 176.8003 55 L 3.8690 7.8806 120.6859 57.6123 41.5662 179.6170 56 K 4.1302 8.1949 117.8582 58.5009 31.7313 179.0221 57 K 4.0904 7.5628 118.5137 58.5707 31.9594 178.6689 58 T 3.9994 7.5518 109.5816 63.0051 68.7990 175.5613 59 G 3.9174 8.1996 109.6736 45.0119 0.0000 173.5654 60 K 4.3934 7.3228 118.3782 55.2147 33.6073 176.4277 61 T 4.1610 8.2384 117.7404 63.7855 69.1958 173.9586 62 V 5.1603 8.3563 125.7490 61.4252 35.1938 174.4130 63 S 4.8577 8.9345 118.1471 57.2075 66.4423 172.5164 64 Y 4.0698 8.7068 123.3400 57.7198 39.1289 175.6243 65 L 3.7892 9.0378 127.6091 56.6502 42.8702 177.6737 66 G 2.8599 5.9516 104.6462 44.0438 0.0000 171.8079 67 L 4.6533 7.8176 120.9976 54.5781 42.5954 176.4015 68 E 4.2506 8.7113 122.5932 57.6821 30.3429 176.0987 69 I 4.1872 7.4004 121.9537 61.1017 38.3941 174.2627 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 P 0.00 4.54 0.00 1.93 2.05 0.00 4.03 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 3 K 8.42 4.81 0.00 1.93 1.97 0.00 1.41 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.59 7.81 4 H 9.70 5.23 0.00 3.44 3.51 0.00 5.80 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.55 4.93 0.00 2.20 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 2.23 2.34 0.00 6 F 9.61 5.40 0.00 2.97 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 7 S 9.25 5.08 0.00 3.88 3.89 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 0.00 0.00 0.00 8 V 8.31 4.78 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 0.78 0.00 0.00 0.95 0.00 0.00 9 D 8.94 4.73 0.00 2.71 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 10 M 7.91 4.47 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 11 T 8.54 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 12 C 7.54 4.85 0.00 3.09 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 13 G 8.69 3.74 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 14 G 8.00 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.03 4.11 0.00 2.99 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 16 A 7.95 3.99 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 17 E 8.42 3.90 0.00 2.16 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 0.00 2.31 2.37 0.00 18 A 7.96 3.94 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 19 V 7.79 3.37 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 0.80 0.00 0.00 0.92 0.00 0.00 20 S 7.82 3.51 0.00 3.95 4.01 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 21 R 7.94 3.96 0.00 1.87 1.93 0.00 3.35 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 22 V 7.90 3.62 1.99 0.00 0.00 0.00 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 0.92 0.00 0.00 23 L 7.70 3.82 0.00 1.28 1.53 0.40 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.13 4.30 0.00 2.92 2.94 0.00 0.00 7.03 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.10 4.00 0.00 1.84 1.81 0.00 1.82 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.58 7.81 26 L 7.49 4.02 0.00 1.60 1.80 0.75 0.92 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 27 G 8.40 3.93 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 0.00 0.00 0.00 28 G 8.68 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 0.00 0.00 0.00 0.00 29 V 7.31 4.82 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 0.79 0.00 0.00 1.20 0.00 0.00 30 K 9.19 4.71 0.00 1.77 1.63 0.00 1.55 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.26 7.81 31 Y 7.83 5.49 0.00 2.95 2.89 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 0.00 0.00 0.00 32 D 9.26 4.75 0.00 2.72 2.58 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 33 I 8.68 4.67 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.89 0.93 0.00 0.00 34 D 9.40 4.70 0.00 2.70 2.58 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 35 L 8.64 3.94 0.00 1.78 1.65 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.28 0.00 2.09 2.11 0.00 3.99 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 37 N 8.45 4.63 0.00 3.00 2.86 0.00 0.00 7.12 7.58 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 38 K 7.83 3.89 0.00 2.01 2.00 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 39 K 7.94 5.27 0.00 1.72 1.85 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.56 7.81 40 V 8.97 4.82 2.17 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 1.00 0.00 0.00 0.94 0.00 0.00 41 C 9.32 5.35 0.00 3.27 2.84 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 42 I 8.95 5.13 2.07 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.78 1.07 0.00 0.00 43 E 9.05 5.04 0.00 2.09 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 2.28 2.41 0.00 44 S 8.80 4.89 0.00 3.94 3.74 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 45 E 8.85 4.51 0.00 1.94 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 0.00 2.24 2.24 0.00 46 H 7.78 4.28 0.00 3.16 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.53 4.22 0.00 4.01 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 48 M 8.63 3.76 0.00 1.79 1.64 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.26 0.00 49 D 8.03 4.27 0.00 2.72 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 50 T 7.84 3.81 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 51 L 8.09 3.77 0.00 1.75 1.35 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.66 3.79 0.00 2.01 1.83 1.30 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.96 3.95 1.31 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 0.00 0.00 0.00 54 T 8.02 3.88 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 1.09 0.00 0.00 55 L 7.88 3.87 0.00 1.46 1.55 0.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.19 4.13 0.00 1.78 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.75 7.81 57 K 7.56 4.09 0.00 1.75 1.83 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 58 T 7.55 4.00 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 59 G 8.20 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 60 K 7.32 4.39 0.00 1.78 1.74 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.62 7.81 61 T 8.24 4.16 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 1.23 0.00 0.00 62 V 8.36 5.16 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 1.00 0.00 0.00 0.94 0.00 0.00 63 S 8.93 4.86 0.00 3.95 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 64 Y 8.71 4.07 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.04 3.79 0.00 1.45 1.49 0.88 0.74 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 66 G 5.95 2.86 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 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.82 4.65 0.00 1.63 1.60 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.71 4.25 0.00 1.93 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 2.29 2.28 0.00 69 I 7.40 4.19 1.87 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 1.29 1.30 0.91 0.00 0.00