NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2709 0.0000 0.0000 62.8484 33.2793 177.6484 17 S 3.5611 8.0866 110.9210 58.9065 60.5228 169.5000 18 R 4.7314 8.6453 114.5043 55.1886 31.4675 176.2695 19 K 4.1540 8.0814 118.7115 56.6929 33.3991 178.1663 20 A 4.8297 7.2208 125.7589 51.7278 21.0560 175.9246 21 K 4.2995 7.9445 123.0082 55.8045 32.7353 178.2215 22 V 3.4149 8.2433 124.7421 65.9058 31.6201 177.3708 23 K 4.2665 7.7346 118.8029 59.5210 32.3438 177.6163 24 A 4.1508 8.1799 119.9281 55.7567 18.8614 178.8114 25 T 4.2094 7.6757 111.9581 61.2178 66.5992 172.6764 26 L 4.3728 6.9120 123.4946 55.2717 45.3003 172.4169 27 G 4.1257 8.3956 109.8018 44.4146 0.0000 173.3720 28 E 4.1708 8.7146 121.7015 55.3433 28.6384 175.6129 29 F 4.9241 7.5051 118.2758 54.7197 40.7431 175.7987 30 D 4.5739 8.4083 121.6375 52.5879 39.6868 176.6358 31 L 4.3568 8.3714 126.3813 57.0232 41.9239 178.7115 32 R 4.0641 7.8285 117.0322 57.5644 30.3491 175.5791 33 D 4.1768 8.3374 118.0848 54.4993 40.7086 174.5493 34 Y 4.6924 7.7006 124.7161 57.0390 38.1234 176.1297 35 R 4.5890 7.6531 117.1815 56.3335 32.6248 175.8703 36 N 4.6620 7.7870 118.4658 52.0138 37.6262 175.3331 37 V 3.5673 7.7387 121.4923 66.3994 31.6255 176.4601 38 E 3.9267 8.1727 117.0931 59.4422 29.6656 179.2572 39 V 3.7402 7.5753 117.9685 64.5418 32.0738 177.7144 40 L 4.0075 8.0506 120.7074 57.6223 41.0789 179.4727 41 K 4.0492 7.9855 118.7000 59.7374 31.6651 178.6512 42 R 3.8855 8.1426 117.8050 58.5665 30.0382 177.1642 43 F 4.5726 8.5379 116.6521 57.1605 39.0378 174.7413 44 L 5.0692 7.1916 120.4790 52.6393 43.4803 177.3249 45 S 4.3955 9.1471 118.2728 58.2935 63.6064 175.0182 46 E 4.1717 8.6145 118.2287 57.5350 28.8564 176.2480 47 T 4.7359 7.9421 116.2318 61.6251 72.7091 174.8866 48 G 3.8608 8.7263 110.0635 47.0573 0.0000 174.1793 49 K 4.1544 7.7643 120.4632 56.5496 33.2864 176.2711 50 I 4.5689 8.2220 125.0103 60.8269 37.7849 176.0357 51 L 4.3034 8.6520 127.3782 54.0210 42.4000 175.5625 52 P 4.5723 0.0000 0.0000 62.0544 32.3409 177.9200 53 R 4.0873 8.5461 118.7269 59.4525 29.5877 179.2847 54 R 3.9217 8.0831 116.9374 59.0610 30.3409 177.9723 55 R 4.4755 7.8312 115.9114 57.1120 31.6888 177.8629 56 T 4.3531 8.4321 109.0954 61.6818 68.9558 175.7992 57 G 3.9332 8.0042 108.7709 46.2312 0.0000 173.5075 58 L 4.5369 7.7289 119.6561 53.9414 42.9836 176.3329 59 S 4.8620 8.6150 115.1539 56.4362 66.1626 175.1867 60 G 3.7939 8.5970 108.4295 48.0587 0.0000 175.3844 61 K 4.0895 7.9227 121.6770 59.1303 32.3335 178.2388 62 E 3.8779 7.9526 118.5069 59.8014 29.1018 179.1611 63 Q 3.8800 8.7571 119.5256 59.3827 27.4537 178.6579 64 R 3.9725 7.7898 119.0435 58.8674 30.0930 178.2591 65 I 4.1386 7.8949 119.9759 63.4316 37.1324 177.8120 66 L 3.7542 7.8532 120.7036 58.0626 41.8714 178.3306 67 A 3.9793 7.4912 120.2008 55.5284 18.1919 179.7406 68 K 3.8691 7.4661 114.5926 59.8369 32.0016 179.8212 69 T 3.9118 7.6472 115.4126 66.8999 68.2580 176.9669 70 I 3.6565 8.1883 120.5637 64.0861 37.2978 178.4563 71 K 3.9739 8.1626 119.7684 59.2169 32.1025 179.4352 72 R 3.7826 8.2787 118.5318 59.3512 30.0336 179.0464 73 A 4.0956 8.3039 120.4815 54.8839 18.2732 180.0646 74 R 4.4860 7.5469 118.2747 58.8906 29.8258 178.9700 75 I 3.8808 7.6440 117.7297 64.6472 37.3410 178.1605 76 L 4.1279 7.4547 117.2134 56.2444 41.5095 178.4933 77 G 4.0704 8.0254 106.8188 45.1423 0.0000 174.5806 78 L 4.1675 7.8012 119.3976 56.6445 42.2395 177.2042 79 L 4.7740 7.7831 117.8253 51.8564 44.1012 174.5009 80 P 4.8534 0.0000 0.0000 62.8032 32.3136 175.9244 81 F 4.3255 8.6187 116.6367 59.2213 40.1385 176.6845 82 T 4.5234 7.4592 110.4822 61.2186 69.8353 171.8481 83 E 4.8375 8.5929 126.5955 54.1607 32.8903 175.9608 84 K 4.2313 8.3394 119.9858 56.0744 32.9834 176.4676 85 L 4.4111 8.2445 123.6626 53.8424 43.1490 175.8423 86 V 4.4125 8.0906 125.0760 61.6902 34.6750 171.8987 87 R 4.3225 9.7477 122.9116 54.1736 26.0515 175.0203 88 K 4.1545 9.2080 129.6052 57.7898 33.1218 174.0633 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 16 P 0.00 4.27 0.00 2.19 2.25 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 17 S 8.09 3.56 0.00 4.11 3.99 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 0.00 0.00 0.00 0.00 18 R 8.65 4.73 0.00 1.79 1.85 0.00 3.42 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 19 K 8.08 4.15 0.00 1.73 1.84 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 20 A 7.22 4.83 1.24 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 0.00 0.00 0.00 21 K 7.94 4.30 0.00 1.89 1.78 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.60 7.81 22 V 8.24 3.41 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 -0.37 0.00 0.00 0.78 0.00 0.00 23 K 7.73 4.27 0.00 2.22 1.92 0.00 2.04 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.57 7.81 24 A 8.18 4.15 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 25 T 7.68 4.21 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 26 L 6.91 4.37 0.00 1.59 1.93 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.40 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 28 E 8.71 4.17 0.00 1.95 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 2.26 2.32 0.00 29 F 7.51 4.92 0.00 3.17 3.07 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 30 D 8.41 4.57 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.36 0.00 1.65 1.75 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.83 4.06 0.00 1.80 2.21 0.00 3.26 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 33 D 8.34 4.18 0.00 2.69 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 34 Y 7.70 4.69 0.00 3.04 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 35 R 7.65 4.59 0.00 1.64 1.96 0.00 3.21 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.40 0.00 36 N 7.79 4.66 0.00 3.16 2.72 0.00 0.00 6.68 7.59 0.00 0.00 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 V 7.74 3.57 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 1.02 0.00 0.00 1.00 0.00 0.00 38 E 8.17 3.93 0.00 1.96 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 2.32 2.33 0.00 39 V 7.58 3.74 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 1.03 0.00 0.00 0.54 0.00 0.00 40 L 8.05 4.01 0.00 1.70 1.81 0.97 0.76 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 41 K 7.99 4.05 0.00 1.83 2.08 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.50 7.81 42 R 8.14 3.89 0.00 1.77 1.37 0.00 3.14 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 43 F 8.54 4.57 0.00 3.04 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 44 L 7.19 5.07 0.00 1.79 1.74 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 S 9.15 4.40 0.00 3.91 4.06 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 46 E 8.61 4.17 0.00 1.96 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 2.31 2.38 0.00 47 T 7.94 4.74 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 1.30 0.00 0.00 48 G 8.73 3.86 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 49 K 7.76 4.15 0.00 1.75 1.76 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 50 I 8.22 4.57 1.88 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 1.32 0.45 0.93 0.00 0.00 51 L 8.65 4.30 0.00 1.62 1.64 0.95 0.94 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 52 P 0.00 4.57 0.00 2.20 1.98 0.00 3.63 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 2.12 2.12 0.00 53 R 8.55 4.09 0.00 1.87 2.02 0.00 3.30 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.75 0.00 54 R 8.08 3.92 0.00 1.79 2.03 0.00 3.19 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 55 R 7.83 4.48 0.00 1.82 1.95 0.00 3.28 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 56 T 8.43 4.35 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 57 G 8.00 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 58 L 7.73 4.54 0.00 1.90 1.74 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.62 4.86 0.00 4.04 3.99 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 0.00 0.00 0.00 0.00 60 G 8.60 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 61 K 7.92 4.09 0.00 1.83 1.80 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 7.95 3.88 0.00 2.28 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 2.30 2.32 0.00 63 Q 8.76 3.88 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 64 R 7.79 3.97 0.00 2.11 2.06 0.00 3.13 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 65 I 7.89 4.14 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.19 0.90 0.00 0.00 66 L 7.85 3.75 0.00 1.54 1.71 -0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.49 3.98 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 68 K 7.47 3.87 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 69 T 7.65 3.91 4.40 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 0.00 0.00 0.00 1.28 0.00 0.00 70 I 8.19 3.66 1.81 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 1.47 0.56 0.84 0.00 0.00 71 K 8.16 3.97 0.00 1.93 1.79 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.59 7.81 72 R 8.28 3.78 0.00 1.97 1.70 0.00 3.17 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 73 A 8.30 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.49 0.00 1.60 0.66 0.00 2.70 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 75 I 7.64 3.88 2.01 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 1.77 0.57 0.91 0.00 0.00 76 L 7.45 4.13 0.00 1.66 1.77 0.97 0.80 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 77 G 8.03 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 78 L 7.80 4.17 0.00 1.77 1.76 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.78 4.77 0.00 1.61 1.45 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.85 0.00 2.22 2.19 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 81 F 8.62 4.33 0.00 3.01 3.19 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 0.00 82 T 7.46 4.52 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 1.27 0.00 0.00 83 E 8.59 4.84 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 84 K 8.34 4.23 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 85 L 8.24 4.41 0.00 1.58 1.56 0.92 0.89 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 86 V 8.09 4.41 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 0.89 0.00 0.00 0.93 0.00 0.00 87 R 9.75 4.32 0.00 1.91 1.41 0.00 3.57 0.00 0.00 3.15 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 88 K 9.21 4.15 0.00 1.88 1.76 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81