NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 4.1441 8.0549 114.0588 61.4856 33.2726 176.6575 12 Q 3.9249 8.2482 120.7551 58.6559 29.4747 176.9848 13 R 4.0817 8.6242 117.9833 55.3047 32.9353 175.1332 14 P 4.1748 0.0000 0.0000 66.3116 31.2140 179.0909 15 L 3.8741 7.7934 115.3363 57.6445 41.8743 178.9078 16 D 4.5922 8.0847 118.4871 57.1369 40.8916 178.3667 17 A 4.0235 8.5058 121.7979 54.9908 18.3252 179.2793 18 L 3.8411 8.1519 119.1229 58.2230 41.9404 179.4490 19 G 3.9265 8.1501 105.5820 47.7713 0.0000 175.1073 20 N 4.5844 8.2857 117.5029 55.2704 38.8573 176.4045 21 S 4.5650 8.0374 115.7646 57.2685 63.4882 173.9264 22 L 4.3666 7.1912 122.5364 56.6089 41.8138 176.7189 23 N 4.3467 9.5552 119.1575 54.2815 36.7839 174.0546 24 S 4.9525 7.8118 113.2902 55.8769 67.1193 171.8083 25 P 5.0083 0.0000 0.0000 62.8725 32.3283 175.9764 26 V 5.0241 9.1158 116.5276 59.7696 36.8495 174.2251 27 I 4.8033 8.9864 122.5239 59.7250 40.2408 174.7939 28 I 4.6920 9.1362 128.3201 59.4234 39.5715 174.4367 29 K 4.4413 8.3070 129.4483 54.9650 33.4616 175.6373 30 L 5.0185 8.5606 127.5427 52.6082 44.4750 175.8794 31 K 3.9329 8.7168 122.9293 58.7667 32.1087 175.1904 32 G 4.2447 8.5932 117.3066 47.5736 0.0000 173.3226 33 D 4.6552 7.5340 115.9752 53.4265 41.0372 176.6039 34 R 4.2144 7.9887 119.4940 56.4808 31.6149 175.1235 35 E 5.1667 8.4110 120.9806 54.8105 33.5380 173.9446 36 F 5.3964 9.4005 123.7655 55.9098 43.5761 174.1259 37 R 5.3053 8.8238 118.4455 53.0481 34.9022 175.2321 38 G 4.1938 7.9732 106.8152 46.7459 0.0000 170.5677 39 V 4.7056 8.0151 120.6883 61.0365 33.0446 175.1965 40 L 4.2220 8.7354 131.1141 55.8477 42.2395 177.0759 41 K 4.3370 9.2095 126.8903 58.1415 33.9084 176.4382 42 S 4.6478 7.7580 112.3603 58.1431 66.1333 173.5808 43 F 5.7563 7.9270 114.2028 57.4504 40.5491 171.9946 44 D 4.8832 8.4424 117.2265 51.6362 42.2005 175.7469 45 L 4.1847 8.5104 117.3883 57.0932 41.5239 177.5441 46 H 4.5976 8.7891 115.9336 55.5143 28.9433 175.9353 47 M 3.2904 8.5724 119.3188 55.6933 31.5378 175.6125 48 N 4.9336 8.1276 114.4424 53.4566 39.9896 173.7808 49 L 5.2349 8.8805 120.9940 54.5421 45.0043 174.5932 50 V 4.8580 8.7610 119.5122 61.1559 34.2037 174.2610 51 L 5.3321 8.7851 127.0712 53.1499 45.2048 175.3302 52 N 5.0837 9.0776 119.2584 51.6196 41.3996 174.3465 53 D 4.3393 8.3752 118.3731 55.3718 38.7477 174.0287 54 A 4.7588 8.1541 120.6864 51.6568 20.9640 177.9598 55 E 5.1036 9.0466 120.5155 54.4751 33.6676 174.7202 56 E 3.8896 8.9395 126.0808 55.2822 31.2832 174.9806 57 L 4.9369 8.4137 126.8149 52.9491 43.9855 175.5610 58 E 4.2657 9.3649 126.1175 55.7466 30.7673 177.0164 59 D 4.4982 8.9818 129.9546 54.0785 40.0719 175.3170 60 G 5.2564 8.0311 120.7549 46.0012 0.0000 171.3344 61 E 4.5579 7.2559 119.4033 54.1091 32.4918 174.4326 62 V 4.0473 6.8578 123.7537 62.2777 32.5546 174.7155 63 T 4.3731 7.8719 117.3913 63.9929 74.2036 174.2221 64 R 4.3458 7.4095 118.0406 55.3867 34.7703 174.1756 65 R 4.7543 8.7273 123.7685 54.9959 29.7819 175.9500 66 L 4.1121 8.8109 124.8521 54.1949 42.4605 179.4594 67 G 3.9355 8.3477 107.1988 46.6139 0.0000 173.9119 68 T 4.9322 8.4453 121.6035 62.7127 69.4776 174.1246 69 V 4.5524 8.6954 124.7248 59.8023 35.4373 173.9117 70 L 5.1058 8.5130 124.1701 53.5736 43.8508 175.1929 71 I 4.3453 8.4359 127.6211 59.2297 39.8912 175.2083 72 R 4.2615 8.4943 127.4375 55.6590 30.8491 176.9100 73 G 4.0429 9.3084 114.4905 47.5669 0.0000 174.4223 74 D 4.5385 7.9940 116.5548 54.7069 39.6900 176.4292 75 N 4.5979 8.0440 117.5171 54.1655 39.2298 175.0196 76 I 4.1062 7.5543 120.3095 61.2541 37.8122 175.3632 77 V 4.2311 8.5995 126.3723 64.5494 32.1021 175.1492 78 Y 5.0462 7.1553 116.0063 55.8436 41.8494 172.8098 79 I 5.2508 8.4859 119.7933 59.7079 40.7968 174.9734 80 S 4.8765 9.2928 120.4869 56.3967 67.2416 172.9850 81 R 4.3675 8.6623 119.0518 56.2399 30.5252 177.1297 82 G 4.4226 8.2671 111.6797 45.3550 0.0000 173.8361 83 K 4.2546 8.3741 119.9289 57.0197 33.1498 175.6399 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 11 V 8.05 4.14 2.22 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 1.01 0.00 0.00 0.98 0.00 0.00 12 Q 8.25 3.92 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 13 R 8.62 4.08 0.00 1.83 1.86 0.00 3.33 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 14 P 0.00 4.17 0.00 2.12 2.10 0.00 3.59 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 2.11 2.20 0.00 15 L 7.79 3.87 0.00 1.62 1.83 0.82 1.06 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 16 D 8.08 4.59 0.00 2.88 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 17 A 8.51 4.02 1.37 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 0.00 0.00 0.00 18 L 8.15 3.84 0.00 1.53 0.96 -0.17 0.68 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 19 G 8.15 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 20 N 8.29 4.58 0.00 2.77 2.91 0.00 0.00 6.97 8.41 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 21 S 8.04 4.57 0.00 4.01 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 22 L 7.19 4.37 0.00 1.71 1.67 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.56 4.35 0.00 2.86 2.95 0.00 0.00 6.80 8.09 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 24 S 7.81 4.95 0.00 3.99 3.73 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 25 P 0.00 5.01 0.00 2.09 1.99 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 26 V 9.12 5.02 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 1.01 0.00 0.00 1.01 0.00 0.00 27 I 8.99 4.80 1.98 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 1.27 0.92 0.98 0.00 0.00 28 I 9.14 4.69 1.87 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 1.13 0.92 0.82 0.00 0.00 29 K 8.31 4.44 0.00 0.79 0.74 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.01 1.18 7.81 30 L 8.56 5.02 0.00 1.68 1.55 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.72 3.93 0.00 1.86 1.72 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.46 7.81 32 G 8.59 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 0.00 0.00 0.00 0.00 33 D 7.53 4.66 0.00 2.77 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 34 R 7.99 4.21 0.00 1.96 1.90 0.00 3.12 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 35 E 8.41 5.17 0.00 1.95 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 2.25 2.32 0.00 36 F 9.40 5.40 0.00 2.93 2.90 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 37 R 8.82 5.31 0.00 1.77 1.78 0.00 3.28 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 1.57 1.42 0.00 38 G 7.97 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 0.00 0.00 0.00 0.00 39 V 8.02 4.71 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 1.02 0.00 0.00 0.95 0.00 0.00 40 L 8.74 4.22 0.00 1.87 1.76 1.06 0.39 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 41 K 9.21 4.34 0.00 1.75 1.84 0.00 1.91 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.66 7.81 42 S 7.76 4.65 0.00 3.70 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 F 7.93 5.76 0.00 3.11 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 D 8.44 4.88 0.00 2.81 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 45 L 8.51 4.18 0.00 1.57 1.73 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.79 4.60 0.00 3.33 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.57 3.29 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 48 N 8.13 4.93 0.00 3.04 2.74 0.00 0.00 6.54 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 49 L 8.88 5.23 0.00 1.88 1.80 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.76 4.86 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 0.98 0.00 0.00 0.93 0.00 0.00 51 L 8.79 5.33 0.00 1.64 1.54 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.08 5.08 0.00 2.64 2.72 0.00 0.00 7.24 8.91 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 53 D 8.38 4.34 0.00 2.78 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 0.00 54 A 8.15 4.76 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.05 5.10 0.00 1.88 1.77 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 2.20 2.23 0.00 56 E 8.94 3.89 0.00 1.57 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.47 0.00 57 L 8.41 4.94 0.00 1.39 1.49 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.36 4.27 0.00 1.88 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 59 D 8.98 4.50 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 5.26 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 0.00 61 E 7.26 4.56 0.00 1.91 1.71 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 2.26 2.22 0.00 62 V 6.86 4.05 2.05 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 1.16 0.00 0.00 0.94 0.00 0.00 63 T 7.87 4.37 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 1.15 0.00 0.00 64 R 7.41 4.35 0.00 1.59 1.75 0.00 3.26 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 65 R 8.73 4.75 0.00 1.68 1.91 0.00 3.36 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 66 L 8.81 4.11 0.00 1.64 1.79 1.28 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.35 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 68 T 8.45 4.93 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 1.29 0.00 0.00 69 V 8.70 4.55 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 0.74 0.00 0.00 0.88 0.00 0.00 70 L 8.51 5.11 0.00 1.61 1.56 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.44 4.35 1.72 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.30 0.71 0.00 0.00 72 R 8.49 4.26 0.00 1.81 1.97 0.00 3.18 0.00 0.00 3.48 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 73 G 9.31 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 0.00 0.00 0.00 74 D 7.99 4.54 0.00 2.77 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 75 N 8.04 4.60 0.00 2.93 2.85 0.00 0.00 6.93 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.55 4.11 1.94 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 1.11 0.47 0.90 0.00 0.00 77 V 8.60 4.23 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 0.91 0.00 0.00 0.90 0.00 0.00 78 Y 7.16 5.05 0.00 3.01 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 79 I 8.49 5.25 1.88 0.00 0.00 0.78 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 0.67 0.91 0.00 0.00 80 S 9.29 4.88 0.00 3.85 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 81 R 8.66 4.37 0.00 1.73 1.91 0.00 3.35 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 82 G 8.27 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 83 K 8.37 4.25 0.00 1.72 1.66 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.44 7.81