NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 M 4.4080 8.3044 120.3216 55.8601 33.3264 175.4787 31 S 4.3150 7.7178 110.1090 57.2165 63.4004 168.9489 32 V 3.7444 8.1845 126.0741 61.8540 33.2326 174.5589 33 A 4.8339 7.9664 126.8605 49.6081 22.3653 176.1743 34 C 5.4385 8.4562 118.7729 58.9895 30.5175 174.9310 35 L 4.1287 8.3058 120.1448 58.1038 40.6981 179.8346 36 S 4.2203 7.9608 114.9436 61.5354 62.8498 175.9086 37 C 4.3041 8.0455 118.1753 61.6957 27.5173 175.5430 38 R 3.8932 7.7505 120.7642 58.5245 29.6628 178.2644 39 K 4.1336 7.9120 116.6192 58.8539 32.9469 177.8073 40 R 4.3945 7.6154 115.9415 55.2488 30.9359 175.6952 41 H 4.0128 7.5097 113.0776 56.9593 26.3789 174.5061 42 I 4.4547 8.5520 119.8846 59.4481 39.6194 177.9019 43 K 4.2771 8.2725 125.8898 55.2467 30.0308 175.4220 44 C 4.1400 7.9311 121.0248 58.6315 32.3602 171.4429 45 P 4.2235 0.0000 0.0000 66.5142 31.0987 175.3866 46 G 3.0159 7.5100 111.5690 43.4123 0.0000 172.3128 47 G 4.0314 8.4051 115.1104 45.4412 0.0000 171.1654 48 N 4.7044 8.5201 116.1279 50.4663 40.0603 172.8798 49 P 4.5634 0.0000 0.0000 62.2377 33.3826 177.1725 50 C 4.8417 7.9775 119.0072 58.3544 28.5426 174.7904 51 Q 4.3680 8.6070 112.5596 56.3290 31.6292 177.0654 52 K 4.0277 8.1731 116.7352 58.9241 31.9379 178.3631 53 C 4.3998 7.8696 116.0480 61.6259 28.8433 175.9244 54 V 3.6939 7.7472 118.3873 66.1812 31.1019 177.4226 55 T 4.1431 7.9719 112.1871 64.1599 67.2549 174.9371 56 S 4.5667 7.4094 114.1523 58.3026 63.6437 174.3147 57 N 3.9846 7.9773 114.0040 54.1527 35.5201 171.1112 58 A 4.7868 8.2668 121.3210 50.9469 22.9349 175.2592 59 I 4.2085 8.0753 118.9132 60.2787 38.3332 175.5845 60 C 4.6030 8.4368 122.7158 57.9233 29.5145 173.0376 61 E 4.2854 7.9246 121.4796 54.9574 32.6135 174.4615 62 Y 5.0449 7.9717 115.2456 57.6046 38.3303 177.5193 63 L 4.5827 7.5747 119.1642 53.7285 43.2732 177.9880 64 E 4.7827 8.1740 126.7118 54.4859 30.5205 173.0819 65 P 4.5023 0.0000 0.0000 62.6364 32.4237 174.3792 66 S 4.7065 8.1208 112.4625 57.6250 64.4983 171.9896 67 K 3.7970 8.5983 118.3687 53.6369 30.6998 176.5025 68 K 3.7311 7.5993 122.2035 55.9275 31.9140 174.6141 69 I 4.1780 7.8495 118.8718 59.9617 39.1338 175.8571 70 V 4.2017 7.7809 125.9529 62.6950 32.4560 172.7631 71 V 4.3850 7.7616 125.6277 61.1155 40.3000 173.8180 72 S 4.6321 8.1338 113.4993 57.1661 66.4201 174.7303 73 T 3.9048 8.7520 122.0751 64.9526 67.6780 175.7178 74 K 3.9235 8.2475 121.7507 59.5396 31.9917 177.8696 75 Y 3.8856 8.0690 119.8627 60.6269 38.7734 177.9919 76 L 4.0861 8.0275 119.7799 58.0009 41.7354 179.6185 77 Q 3.9948 8.0690 117.3212 59.1380 28.7769 178.2861 78 Q 3.9676 8.6033 120.8473 59.3334 28.9268 178.4832 79 L 4.1992 7.9623 119.0852 57.1083 41.7261 178.8639 80 Q 4.0630 8.1959 119.7212 58.4996 28.9219 178.1521 81 K 4.0087 8.7233 119.9987 59.2583 32.1408 178.5215 82 D 4.3421 7.7990 116.9538 57.4616 41.3761 177.8439 83 L 4.0868 7.7969 120.2055 58.2319 42.0839 178.5347 84 N 4.3482 7.9015 117.1782 56.5607 38.8859 176.2925 85 D 4.7507 8.4922 119.5965 56.6840 41.1556 178.1148 86 K 4.1125 7.9179 119.0481 59.2343 32.1156 179.3938 87 T 3.9242 7.6430 115.8236 66.6385 68.7304 176.6421 88 E 4.0192 8.6395 120.8866 59.2846 29.3957 179.4487 89 E 3.9361 8.2023 118.6707 59.6409 29.5233 178.9761 90 N 4.4791 8.4181 116.6206 56.4899 38.2709 177.2177 91 N 4.3719 7.9065 117.3193 55.9472 38.8598 177.2020 92 R 4.0287 7.8053 119.8257 59.3205 30.1808 178.0108 93 L 3.9068 8.4824 120.4280 58.2969 41.4144 179.0271 94 K 3.9927 8.0048 119.4133 58.6062 31.9210 177.6419 95 A 4.5735 7.9731 118.6233 52.2161 19.0697 177.7911 96 L 4.4910 7.6762 118.3930 55.4883 43.2175 177.6036 97 L 4.5896 7.5000 117.2175 54.9818 42.9402 178.3970 98 L 3.7860 7.5320 119.7559 57.3827 42.2665 177.3275 99 E 4.2637 8.0821 117.9017 57.0047 30.3416 175.5418 100 R 4.1822 7.4585 122.6076 56.2899 30.4002 174.4097 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 30 M 8.30 4.41 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 31 S 7.72 4.31 0.00 3.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 3.74 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.78 0.00 0.00 33 A 7.97 4.83 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.46 5.44 0.00 3.02 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 35 L 8.31 4.13 0.00 1.67 1.71 0.99 0.78 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 36 S 7.96 4.22 0.00 3.86 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 37 C 8.05 4.30 0.00 3.10 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 3.89 0.00 2.12 2.06 0.00 3.15 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 1.63 1.70 0.00 39 K 7.91 4.13 0.00 1.91 1.94 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.62 7.81 40 R 7.62 4.39 0.00 1.95 1.98 0.00 3.32 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 41 H 7.51 4.01 0.00 3.29 3.34 0.00 5.65 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 42 I 8.55 4.45 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 1.20 0.57 0.93 0.00 0.00 43 K 8.27 4.28 0.00 1.72 1.75 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 44 C 7.93 4.14 0.00 3.03 3.01 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 45 P 0.00 4.22 0.00 2.22 2.17 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 46 G 7.51 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 0.00 0.00 0.00 47 G 8.41 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.52 4.70 0.00 2.75 2.75 0.00 0.00 6.66 7.43 0.00 0.00 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 P 0.00 4.56 0.00 2.13 2.03 0.00 3.49 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 50 C 7.98 4.84 0.00 3.20 2.92 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 51 Q 8.61 4.37 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 52 K 8.17 4.03 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.49 7.81 53 C 7.87 4.40 0.00 2.95 2.94 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 54 V 7.75 3.69 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 0.91 0.00 0.00 0.95 0.00 0.00 55 T 7.97 4.14 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 1.25 0.00 0.00 56 S 7.41 4.57 0.00 4.14 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 57 N 7.98 3.98 0.00 2.89 2.88 0.00 0.00 5.94 7.26 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 58 A 8.27 4.79 1.25 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 0.00 0.00 0.00 59 I 8.08 4.21 1.84 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 0.61 0.89 0.00 0.00 60 C 8.44 4.60 0.00 2.77 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 61 E 7.92 4.29 0.00 1.96 1.84 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 2.14 2.26 0.00 62 Y 7.97 5.04 0.00 3.02 2.85 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 63 L 7.57 4.58 0.00 1.60 1.62 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.17 4.78 0.00 1.92 1.84 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 2.21 2.31 0.00 65 P 0.00 4.50 0.00 2.20 2.10 0.00 3.51 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 66 S 8.12 4.71 0.00 3.81 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 67 K 8.60 3.80 0.00 1.93 1.77 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.43 7.81 68 K 7.60 3.73 0.00 1.88 1.80 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.44 7.81 69 I 7.85 4.18 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 0.87 0.00 0.00 70 V 7.78 4.20 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 0.91 0.00 0.00 0.92 0.00 0.00 71 V 7.76 4.39 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 0.73 0.00 0.00 0.80 0.00 0.00 72 S 8.13 4.63 0.00 3.87 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 73 T 8.75 3.90 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 1.23 0.00 0.00 74 K 8.25 3.92 0.00 1.87 1.82 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.51 7.81 75 Y 8.07 3.89 0.00 3.23 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 76 L 8.03 4.09 0.00 1.97 1.74 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.07 3.99 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 78 Q 8.60 3.97 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 79 L 7.96 4.20 0.00 2.08 1.76 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.20 4.06 0.00 2.42 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 81 K 8.72 4.01 0.00 1.85 1.83 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.59 7.81 82 D 7.80 4.34 0.00 2.83 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 83 L 7.80 4.09 0.00 1.87 1.85 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.90 4.35 0.00 3.07 2.81 0.00 0.00 6.86 8.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.49 4.75 0.00 2.87 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 86 K 7.92 4.11 0.00 2.07 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.70 1.62 7.81 87 T 7.64 3.92 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 88 E 8.64 4.02 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 2.33 2.47 0.00 89 E 8.20 3.94 0.00 2.38 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 0.00 2.33 2.39 0.00 90 N 8.42 4.48 0.00 3.00 2.89 0.00 0.00 7.25 7.65 0.00 0.00 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 N 7.91 4.37 0.00 2.91 2.87 0.00 0.00 7.18 7.17 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 92 R 7.81 4.03 0.00 1.92 1.96 0.00 3.12 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 93 L 8.48 3.91 0.00 1.69 1.75 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.00 3.99 0.00 1.93 1.97 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 95 A 7.97 4.57 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.68 4.49 0.00 1.83 1.71 0.93 0.95 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 97 L 7.50 4.59 0.00 1.75 1.67 0.92 0.37 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 98 L 7.53 3.79 0.00 1.71 1.72 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.08 4.26 0.00 1.96 1.94 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 2.24 2.23 0.00 100 R 7.46 4.18 0.00 1.79 1.71 0.00 3.51 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00