NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3987 0.0000 0.0000 62.0531 33.7357 176.8733 4 R 3.8904 7.8087 118.1121 54.9791 30.7620 174.9030 5 P 4.2423 0.0000 0.0000 65.8972 32.7163 178.3567 6 L 3.7507 8.0147 117.5338 57.8568 41.4315 179.0158 7 D 4.3658 7.8016 118.8463 57.6082 40.5729 179.2009 8 V 3.7479 7.2929 117.4506 65.8138 31.7133 177.8175 9 L 3.9445 7.4316 118.5109 57.4546 41.3237 178.6921 10 N 4.5880 8.1483 117.2059 56.8334 38.7968 176.8242 11 R 3.9005 8.3089 118.9407 58.8753 30.1412 177.4742 12 S 4.5827 7.6352 112.4407 57.2634 63.7557 174.2810 13 L 3.9831 7.5746 122.4380 56.5861 42.3810 177.4527 14 K 3.8459 8.6747 122.0514 56.2291 29.7135 174.9298 15 S 4.7819 7.0013 112.7013 56.7952 67.6220 175.3342 16 P 5.0095 0.0000 0.0000 63.5306 31.8098 175.4885 17 V 4.7792 8.8476 113.0034 60.4325 37.0761 173.4586 18 I 4.8331 9.4348 124.1581 59.6734 39.7016 175.0042 19 V 4.6738 8.6121 127.1200 61.0992 34.1717 173.9126 20 R 4.7025 7.8037 128.9035 54.7426 31.7980 175.3822 21 L 5.0102 8.6588 126.4370 52.7343 44.6517 176.0276 22 K 4.1910 8.4791 121.1148 57.9415 31.8230 177.4927 23 G 3.9576 9.5931 112.4726 45.0999 0.0000 174.6844 24 G 3.9605 7.9762 107.3606 44.8006 0.0000 173.9422 25 R 4.1913 7.7025 119.8994 56.6303 31.6009 174.8302 26 E 5.3492 8.4356 119.7784 54.8551 34.7377 174.4775 27 F 5.0494 9.2382 119.8511 55.8966 43.3515 173.9558 28 R 5.0155 8.2094 122.9114 54.8133 32.4076 175.6237 29 G 4.2386 8.2779 108.6492 46.2211 0.0000 172.0144 30 T 4.8413 8.2991 117.0870 61.7419 69.6965 174.4260 31 L 4.3066 8.5199 130.2215 56.2458 42.6139 176.6306 32 D 4.7486 9.0466 126.3576 54.1385 42.7047 175.4808 33 G 4.1032 7.5352 103.8725 46.8567 0.0000 171.2593 34 Y 5.7706 7.9770 117.0203 57.7980 40.4800 172.1600 35 D 4.7096 8.0789 117.1102 52.2463 42.4171 175.4333 36 I 3.6876 8.5648 118.6716 65.4674 37.2456 177.2585 37 H 4.3863 8.0612 114.9264 56.6503 28.9254 175.4891 38 M 3.4984 8.2675 119.0324 56.3788 31.0630 175.6783 39 N 4.9660 8.8208 114.2290 52.8528 40.0758 174.3405 40 L 5.3885 9.0211 121.5565 52.9362 46.3413 175.5694 41 V 4.8152 8.4667 120.8436 61.1804 34.3027 174.1572 42 L 5.2432 8.9890 128.1223 52.9714 44.7454 175.4655 43 L 4.8316 8.7411 123.4707 53.6608 44.0306 175.9988 44 D 4.6101 8.8142 121.7045 55.5534 38.7894 171.8487 45 A 5.6608 8.4291 121.9918 49.8874 23.2750 176.9306 46 E 4.9026 8.2718 115.9347 54.9450 33.0322 174.1187 47 E 3.3535 9.0134 126.5175 56.0970 30.6671 175.9202 48 I 4.3748 8.3795 130.3952 60.4464 37.4563 174.0840 49 Q 4.2585 8.5316 128.4103 54.7841 30.9107 175.2690 50 N 4.4307 9.4426 122.5334 54.2929 36.1047 173.9867 51 G 3.8689 8.6094 102.7815 45.9163 0.0000 174.2801 52 E 4.5216 7.4846 116.6993 54.3848 33.2880 174.2923 53 V 3.9792 8.4932 126.2886 63.5610 31.7460 175.5930 54 V 4.3248 8.2670 120.3444 61.5809 33.4265 176.0031 55 R 4.5223 7.4326 118.3952 55.1730 33.3675 173.2068 56 K 5.0538 8.7249 124.4797 54.7043 34.8540 175.8677 57 V 4.4653 8.6529 117.7615 59.3153 34.8986 177.1364 58 G 3.8572 9.0395 112.5076 49.0302 0.0000 172.9824 59 S 5.8044 8.1164 111.6999 58.7184 65.4640 175.2247 60 V 4.4677 8.0098 119.6033 60.6856 34.5383 172.4259 61 V 4.7326 8.3017 123.1234 61.3157 33.3021 174.5667 62 I 4.4533 8.6057 128.6786 59.2577 40.2814 175.3312 63 R 4.5109 8.5117 125.8995 55.6762 30.9574 177.5010 64 G 4.0177 9.6142 112.7308 47.5147 0.0000 174.7779 65 D 4.3508 8.2336 118.1809 57.2950 41.2198 177.5624 66 T 4.1607 7.9912 114.8420 64.9220 69.0141 174.9725 67 V 3.8726 7.5538 122.0042 62.8162 32.1444 175.4759 68 V 4.1793 8.5816 128.1265 64.8110 32.3850 175.7794 69 F 4.9678 7.2058 112.3172 55.9595 40.7584 172.7727 70 V 5.0876 8.6426 119.7391 61.3903 34.1176 174.6176 71 S 4.7674 9.4498 121.7080 55.9265 66.1156 171.3514 72 P 4.8413 0.0000 0.0000 62.7208 31.7773 175.4565 73 A 4.8300 8.3362 124.9303 49.2298 22.2029 174.5371 74 P 4.4368 0.0000 0.0000 63.0580 31.3439 176.8431 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 3 P 0.00 4.40 0.00 2.05 2.17 0.00 3.65 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 1.92 2.11 0.00 4 R 7.81 3.89 0.00 2.06 1.85 0.00 3.31 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 5 P 0.00 4.24 0.00 2.14 2.08 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 2.10 2.11 0.00 6 L 8.01 3.75 0.00 1.65 1.74 0.91 1.09 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 7 D 7.80 4.37 0.00 2.81 2.73 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 8 V 7.29 3.75 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 0.80 0.00 0.00 0.90 0.00 0.00 9 L 7.43 3.94 0.00 0.85 0.68 0.49 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.15 4.59 0.00 3.00 3.05 0.00 0.00 6.84 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 11 R 8.31 3.90 0.00 1.87 2.15 0.00 3.30 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 12 S 7.64 4.58 0.00 4.06 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 13 L 7.57 3.98 0.00 1.72 1.69 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.67 3.85 0.00 1.90 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 15 S 7.00 4.78 0.00 3.89 3.70 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 16 P 0.00 5.01 0.00 2.10 2.08 0.00 3.77 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 2.01 2.02 0.00 17 V 8.85 4.78 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 0.86 0.00 0.00 1.03 0.00 0.00 18 I 9.43 4.83 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.99 1.03 0.00 0.00 19 V 8.61 4.67 2.13 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 0.95 0.00 0.00 0.93 0.00 0.00 20 R 7.80 4.70 0.00 1.34 0.66 0.00 2.95 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.44 0.00 21 L 8.66 5.01 0.00 1.63 1.55 1.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.48 4.19 0.00 1.63 1.76 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.62 7.81 23 G 9.59 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 0.00 0.00 0.00 24 G 7.98 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 0.00 0.00 0.00 25 R 7.70 4.19 0.00 2.03 1.84 0.00 3.32 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 26 E 8.44 5.35 0.00 2.06 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 0.00 2.13 2.23 0.00 27 F 9.24 5.05 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.21 5.02 0.00 1.68 1.85 0.00 3.35 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 29 G 8.28 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 30 T 8.30 4.84 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 31 L 8.52 4.31 0.00 1.83 1.64 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.05 4.75 0.00 2.75 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 33 G 7.54 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.98 5.77 0.00 2.98 2.93 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 35 D 8.08 4.71 0.00 2.85 2.77 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 0.00 0.00 0.00 36 I 8.56 3.69 1.71 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 1.38 0.41 0.86 0.00 0.00 37 H 8.06 4.39 0.00 3.21 3.31 0.00 5.69 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 38 M 8.27 3.50 0.00 2.27 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 2.43 2.47 0.00 39 N 8.82 4.97 0.00 2.94 2.72 0.00 0.00 6.82 6.28 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 40 L 9.02 5.39 0.00 1.47 1.52 0.89 0.68 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 41 V 8.47 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 0.88 0.00 0.00 0.91 0.00 0.00 42 L 8.99 5.24 0.00 1.55 1.55 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.74 4.83 0.00 1.62 1.57 1.04 0.80 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 44 D 8.81 4.61 0.00 2.73 2.68 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 45 A 8.43 5.66 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 46 E 8.27 4.90 0.00 1.94 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 2.41 2.27 0.00 47 E 9.01 3.35 0.00 1.41 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.78 0.00 48 I 8.38 4.37 1.79 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 1.05 1.09 0.91 0.00 0.00 49 Q 8.53 4.26 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.23 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 50 N 9.44 4.43 0.00 2.89 2.88 0.00 0.00 7.05 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 51 G 8.61 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 52 E 7.48 4.52 0.00 2.07 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 0.00 2.17 2.19 0.00 53 V 8.49 3.98 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 0.81 0.00 0.00 0.94 0.00 0.00 54 V 8.27 4.32 2.03 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 0.72 0.00 0.00 0.94 0.00 0.00 55 R 7.43 4.52 0.00 1.80 1.62 0.00 3.14 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 56 K 8.72 5.05 0.00 1.64 1.69 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.41 7.81 57 V 8.65 4.47 2.27 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 0.81 0.00 0.00 1.16 0.00 0.00 58 G 9.04 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 59 S 8.12 5.80 0.00 3.83 3.80 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 60 V 8.01 4.47 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 0.53 0.00 0.00 0.74 0.00 0.00 61 V 8.30 4.73 2.04 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 0.80 0.00 0.00 0.90 0.00 0.00 62 I 8.61 4.45 1.72 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.27 0.78 0.00 0.00 63 R 8.51 4.51 0.00 1.81 1.83 0.00 3.29 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 64 G 9.61 4.02 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 65 D 8.23 4.35 0.00 2.63 2.73 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 66 T 7.99 4.16 4.35 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 1.20 0.00 0.00 67 V 7.55 3.87 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.94 0.00 0.00 68 V 8.58 4.18 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 0.96 0.00 0.00 0.95 0.00 0.00 69 F 7.21 4.97 0.00 3.06 3.10 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 0.00 0.00 0.00 70 V 8.64 5.09 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 0.83 0.00 0.00 0.94 0.00 0.00 71 S 9.45 4.77 0.00 3.90 3.80 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 72 P 0.00 4.84 0.00 1.99 1.98 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 73 A 8.34 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 74 P 0.00 4.44 0.00 2.06 1.99 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00