NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 S 4.3193 8.3193 116.7889 59.1651 64.2619 171.7894 25 H 4.4847 7.6945 115.0408 52.4941 30.2763 171.0059 26 P 4.5329 0.0000 0.0000 61.9250 33.4753 177.6751 27 T 4.0131 8.2758 108.2070 61.9137 69.9905 174.2380 28 Y 3.4251 8.6267 120.4614 61.4499 37.9188 179.4201 29 S 4.2124 8.1453 114.3061 61.5226 63.0061 176.1763 30 E 3.9903 7.7447 121.0880 59.1801 29.2005 179.0143 31 M 3.8195 8.3117 119.2538 58.2073 31.9514 178.8804 32 I 3.7012 8.1820 120.3242 64.2412 37.1797 178.3499 33 A 3.9922 8.2599 121.6094 54.9216 18.1505 179.5559 34 A 3.9102 8.0959 119.2271 55.3232 18.2917 179.6235 35 A 2.7103 8.0033 118.3206 54.8013 18.7191 179.3513 36 I 3.9414 7.3818 117.3296 63.7421 37.3871 178.5255 37 R 3.8597 8.0077 118.0249 59.1878 29.9786 177.6579 38 A 4.1488 7.4743 117.9547 53.1006 18.5883 176.9728 39 E 4.1682 7.6799 117.0110 55.1363 30.4001 175.9325 40 K 4.4444 8.1043 124.9232 55.3457 33.0901 175.5518 41 S 4.5775 7.9640 115.8391 57.5021 64.9671 175.0311 42 R 4.4254 8.5434 121.4287 55.5635 30.5753 176.7628 43 G 4.0737 7.3686 110.6698 45.6794 0.0000 176.3746 44 G 3.9338 8.2215 110.1859 46.3195 0.0000 172.3033 45 S 4.6838 7.7308 116.4324 57.4162 64.7581 173.8838 46 S 5.0290 8.0816 119.1717 56.4883 65.9692 175.1625 47 R 4.0809 8.6578 122.0134 59.7649 29.5910 178.8328 48 Q 4.0054 8.0542 117.4160 59.0473 28.8822 178.2344 49 S 4.1994 8.3773 116.5257 62.0313 62.8714 177.1131 50 I 3.8938 7.9870 122.1833 64.3057 36.9662 178.6277 51 Q 4.0760 8.2903 119.0223 59.0266 28.6318 178.8480 52 K 4.1406 8.5973 119.9126 59.3578 31.7567 178.9520 53 Y 3.9258 7.9805 119.2878 60.7216 39.0935 177.4031 54 I 4.2595 7.8949 120.3709 64.6542 37.0666 178.7083 55 K 4.0536 8.1247 118.0802 59.3785 31.9629 178.2167 56 S 4.3989 7.9353 110.6098 59.0426 63.0259 174.0380 57 H 4.6538 7.7609 115.7490 55.4913 30.3064 172.5489 58 Y 4.8172 7.5323 115.2436 56.2802 42.0260 175.8958 59 K 4.3533 8.4834 122.1311 55.3275 30.6639 176.8932 60 V 4.2604 7.5509 114.5539 59.8665 34.1793 176.5204 61 G 4.1106 8.1121 110.5134 44.6925 0.0000 173.8349 62 H 4.3861 8.6555 114.8453 57.6727 29.1442 175.8786 63 N 4.9172 8.0511 116.4159 53.1518 38.7756 176.6400 64 A 4.1147 7.9786 124.5742 54.4170 18.4013 179.9648 65 D 4.6336 8.1033 118.7267 56.1008 39.1230 178.9238 66 L 3.8917 7.7879 120.2074 57.4144 41.7481 179.4097 67 Q 3.6174 7.9074 117.7130 58.9397 28.5103 179.2289 68 I 3.8239 8.2981 121.3633 64.0515 37.0749 178.6515 69 K 3.9258 7.9052 119.2024 59.2368 31.8011 178.8632 70 L 3.8547 7.9148 120.5972 58.4504 42.0255 179.0686 71 S 4.0654 7.7650 114.3264 61.7972 62.8653 176.8720 72 I 3.4952 7.5482 122.0452 64.3947 36.8994 178.6501 73 R 3.8638 8.0511 118.8500 59.3747 29.8374 179.4082 74 R 3.9347 8.1933 118.0404 59.1678 30.0307 178.9613 75 L 4.1114 8.4877 118.5957 56.6844 41.3786 178.9876 76 L 4.0094 7.5285 119.6814 57.4057 42.1372 178.1049 77 A 4.1174 7.8215 120.1128 55.1506 18.2499 179.2352 78 A 4.2005 8.0709 117.1623 53.1735 18.3693 178.4509 79 G 3.8728 7.6147 104.3478 45.4779 0.0000 174.6527 80 V 4.1652 8.0212 120.0794 61.4873 33.1506 175.2852 81 L 5.1175 7.9010 122.4671 53.2313 44.5096 175.2411 82 K 4.8068 9.0947 123.6262 54.7681 35.7976 174.5216 83 Q 4.9388 8.4975 120.7973 55.0464 32.7557 174.0121 84 T 4.7117 8.6396 118.9700 61.7114 72.6182 173.0741 85 K 4.7221 8.8186 124.6760 54.7913 34.8820 175.9759 86 G 4.2779 7.7118 112.9628 43.8559 0.0000 171.7888 87 V 3.7463 8.2945 119.2612 63.4889 32.2273 176.3006 88 G 4.1167 8.9974 116.8127 45.6895 0.0000 173.0958 89 A 4.0317 7.5459 122.4366 51.9313 17.6275 177.9101 90 S 3.8968 8.4949 116.9854 60.2037 62.7170 175.4958 91 G 3.8061 8.1488 110.5409 45.6845 0.0000 172.5058 92 S 4.7025 8.5143 120.5814 55.7444 65.8400 172.5724 93 F 5.7453 9.2279 125.4932 55.7105 41.4743 174.6873 94 R 5.0692 8.5175 119.7325 53.9544 32.9766 174.7813 95 L 4.6183 8.4869 120.6070 54.4419 42.4193 176.7069 96 A 3.8680 9.3366 127.1328 53.7790 18.9184 177.6896 97 K 4.5153 8.4191 121.3532 56.8297 32.1276 174.5125 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 24 S 8.32 4.32 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 7.69 4.48 0.00 3.14 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.53 0.00 2.33 2.17 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 27 T 8.28 4.01 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 1.22 0.00 0.00 28 Y 8.63 3.43 0.00 3.12 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 29 S 8.15 4.21 0.00 4.03 4.12 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 0.00 0.00 0.00 0.00 30 E 7.74 3.99 0.00 2.19 1.96 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 2.31 2.33 0.00 31 M 8.31 3.82 0.00 1.47 1.79 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.99 0.00 32 I 8.18 3.70 1.85 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 1.49 1.12 0.87 0.00 0.00 33 A 8.26 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 3.91 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 2.71 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 3.94 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.02 0.91 0.00 0.00 37 R 8.01 3.86 0.00 1.92 1.98 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 38 A 7.47 4.15 1.17 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 39 E 7.68 4.17 0.00 1.90 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 0.00 2.45 2.31 0.00 40 K 8.10 4.44 0.00 1.77 1.73 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.34 7.81 41 S 7.96 4.58 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.43 0.00 1.95 1.99 0.00 3.12 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 43 G 7.37 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 44 G 8.22 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 45 S 7.73 4.68 0.00 3.99 3.83 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 0.00 0.00 0.00 0.00 46 S 8.08 5.03 0.00 4.16 3.96 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 47 R 8.66 4.08 0.00 2.10 2.08 0.00 3.27 0.00 0.00 3.43 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 48 Q 8.05 4.01 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 49 S 8.38 4.20 0.00 4.02 3.97 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 50 I 7.99 3.89 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 0.97 0.00 0.00 51 Q 8.29 4.08 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 52 K 8.60 4.14 0.00 1.83 1.90 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.64 7.81 53 Y 7.98 3.93 0.00 3.06 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 54 I 7.89 4.26 2.08 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 1.67 1.42 0.90 0.00 0.00 55 K 8.12 4.05 0.00 1.86 1.89 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.55 7.81 56 S 7.94 4.40 0.00 3.79 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 57 H 7.76 4.65 0.00 2.59 2.43 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 7.53 4.82 0.00 2.76 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 59 K 8.48 4.35 0.00 1.78 1.83 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.53 7.81 60 V 7.55 4.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.97 0.00 0.00 61 G 8.11 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 62 H 8.66 4.39 0.00 3.18 3.40 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.05 4.92 0.00 2.75 2.78 0.00 0.00 7.03 7.12 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 64 A 7.98 4.11 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.63 0.00 2.88 2.98 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 0.00 0.00 0.00 66 L 7.79 3.89 0.00 1.90 1.69 0.90 1.00 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 Q 7.91 3.62 0.00 1.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 68 I 8.30 3.82 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.33 0.95 0.00 0.00 69 K 7.91 3.93 0.00 1.79 1.83 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 70 L 7.91 3.85 0.00 1.79 1.67 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.76 4.07 0.00 3.87 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 72 I 7.55 3.50 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.80 0.09 0.00 0.00 73 R 8.05 3.86 0.00 1.96 1.94 0.00 3.28 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 1.81 1.78 0.00 74 R 8.19 3.93 0.00 1.92 1.94 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 75 L 8.49 4.11 0.00 1.91 1.62 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.53 4.01 0.00 1.77 1.78 1.03 1.12 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 77 A 7.82 4.12 1.40 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 0.00 0.00 0.00 78 A 8.07 4.20 1.28 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 0.00 0.00 0.00 79 G 7.61 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 0.00 0.00 0.00 80 V 8.02 4.17 2.07 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 0.77 0.00 0.00 0.91 0.00 0.00 81 L 7.90 5.12 0.00 1.65 1.54 0.89 0.24 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 82 K 9.09 4.81 0.00 1.69 1.72 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.51 7.81 83 Q 8.50 4.94 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 84 T 8.64 4.71 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 1.18 0.00 0.00 85 K 8.82 4.72 0.00 1.58 1.66 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.28 1.34 7.81 86 G 7.71 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 0.00 0.00 0.00 0.00 87 V 8.29 3.75 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 88 G 9.00 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.55 4.03 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 90 S 8.49 3.90 0.00 3.84 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 91 G 8.15 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.51 4.70 0.00 3.71 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 9.23 5.75 0.00 2.91 2.82 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 0.00 0.00 0.00 94 R 8.52 5.07 0.00 1.86 2.01 0.00 2.84 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 95 L 8.49 4.62 0.00 1.56 1.79 0.91 0.83 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 96 A 9.34 3.87 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.42 4.52 0.00 1.82 2.08 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.49 7.81