NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4423 8.1627 118.3333 55.6132 32.7540 175.0839 2 S 4.7898 8.2653 114.4659 55.8577 64.4312 171.1071 3 I 4.8620 8.6707 121.1799 58.3353 41.7825 174.7448 4 S 4.5172 8.5113 116.8782 58.2138 64.0630 175.1749 5 A 3.9808 8.8398 124.0733 55.4760 18.1461 180.5498 6 S 4.2287 8.0342 112.2642 61.4436 63.0178 176.1123 7 E 4.0549 8.0307 122.7977 58.7918 29.5957 178.4198 8 A 4.0308 8.3466 121.3520 54.8646 18.1273 179.5905 9 R 3.8853 8.3220 117.1698 59.7037 30.2491 178.2522 10 Q 4.0600 7.5715 116.7758 58.2497 29.2992 177.0994 11 R 4.4670 7.7842 117.2532 55.7377 30.3418 177.5516 12 L 4.0102 7.3279 122.2937 58.5390 42.0978 179.1693 13 F 4.3605 8.2570 117.0363 60.2823 38.9280 175.8171 14 P 4.3605 0.0000 0.0000 65.8691 31.0021 178.2998 15 L 3.9884 8.1338 118.9552 57.6529 41.3289 179.4808 16 I 3.7279 8.0334 119.9763 64.2345 36.9042 178.0069 17 E 3.9008 8.0163 119.8671 59.1896 29.3579 178.6969 18 Q 3.9520 8.3435 120.0094 59.2558 29.3514 178.5863 19 V 3.3005 7.7945 120.1233 64.9403 31.0517 177.8619 20 N 4.3847 7.8586 115.7380 55.2243 38.4462 176.6900 21 T 4.2772 7.1050 116.1516 65.5270 69.3656 176.4680 22 D 4.4256 8.7892 121.5506 56.6034 40.6024 177.7534 23 H 4.9122 7.4194 111.7727 55.9458 26.9443 174.3836 24 Q 4.6297 7.2401 117.3799 53.4651 30.3350 174.0442 25 P 4.6351 0.0000 0.0000 62.8664 32.7343 175.6125 26 V 4.4438 8.4249 121.4905 61.2098 33.7978 174.7795 27 R 4.5906 8.3931 127.8388 56.0525 31.1770 175.5541 28 I 4.8724 9.0699 125.8666 59.9465 39.7385 174.8417 29 T 5.0268 9.1708 123.9865 61.5525 70.7078 173.9558 30 S 4.9443 8.3259 116.6558 57.1425 66.2213 175.8463 31 R 3.8815 8.9112 117.2950 58.9166 28.9817 177.1978 32 A 4.2593 7.9455 119.8863 51.5679 19.5317 176.9755 33 G 4.0828 7.7819 103.7773 44.3876 0.0000 172.9705 34 D 5.1909 8.5038 118.6881 53.0245 43.2797 175.4383 35 A 4.7627 8.8994 122.0106 50.1760 23.0893 174.9578 36 V 4.7505 8.3149 118.4442 61.0019 34.1684 174.4257 37 L 4.8039 8.8151 130.1951 53.7558 43.7458 174.9898 38 M 5.3004 8.3552 122.3383 53.4025 34.9686 174.7892 39 S 4.3298 8.6229 113.6628 57.7525 64.4358 174.9590 40 A 4.0171 8.8272 125.1183 55.6338 18.1173 179.8699 41 D 4.3654 8.1723 117.0113 56.8160 39.1356 178.4649 42 D 4.4145 8.0680 120.4267 57.1372 40.7983 178.0083 43 Y 4.0835 8.1388 120.0304 60.8165 38.8330 177.7053 44 D 4.4261 8.6813 119.7893 57.5561 41.1479 178.5854 45 A 4.0288 8.1594 121.0740 55.1048 18.2932 179.5841 46 W 4.0004 8.2340 126.6209 60.6457 30.8923 178.1873 47 Q 3.9102 8.2101 119.6282 59.1642 28.4682 178.0269 48 E 3.9768 8.5699 120.1562 59.6412 29.4599 179.4910 49 T 3.8672 7.7601 115.5961 66.4898 68.3016 177.2050 50 V 3.3924 7.2600 119.3307 65.8112 31.6681 177.0964 51 Y 4.0905 7.9512 119.4511 60.7295 38.5191 178.1343 52 L 4.1282 7.9171 119.5521 57.1642 41.5472 178.5980 53 L 4.2567 7.5127 116.3167 55.7501 41.4209 178.7652 54 R 4.0994 7.5447 119.2129 57.0350 30.1762 176.3061 55 S 4.5939 7.3257 114.1211 55.5415 63.7065 172.7694 56 P 4.2632 0.0000 0.0000 65.3871 30.9660 178.3484 57 E 3.9908 8.1657 116.2704 59.4156 29.3196 178.7611 58 N 4.3105 8.2385 117.3283 56.1729 38.4767 177.1703 59 A 3.9488 7.6295 121.5593 54.8307 18.3394 179.7299 60 R 3.7764 7.8618 116.8307 59.5788 30.3234 178.4899 61 R 3.9136 8.2616 118.2879 59.4631 30.1934 178.9980 62 L 3.9582 8.0726 118.4686 57.9240 41.5271 179.1620 63 M 3.9623 8.1934 118.2138 58.8395 31.9823 177.9269 64 E 3.9499 8.2239 117.2174 59.6028 29.7387 179.1085 65 A 4.1296 7.8872 119.4871 55.1141 18.2171 179.3075 66 V 3.5704 7.8228 116.5796 66.2172 31.4077 177.9449 67 A 4.0512 7.8423 120.9473 54.3565 18.3389 177.5395 68 R 4.0390 7.3945 120.0519 56.7398 30.1744 176.1339 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 1 M 8.16 4.44 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 2 S 8.27 4.79 0.00 3.92 3.78 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 3 I 8.67 4.86 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.91 0.00 0.00 4 S 8.51 4.52 0.00 3.91 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 5 A 8.84 3.98 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 6 S 8.03 4.23 0.00 4.04 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 7 E 8.03 4.05 0.00 2.02 2.11 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 2.29 2.31 0.00 8 A 8.35 4.03 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 9 R 8.32 3.89 0.00 1.85 2.10 0.00 3.24 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 10 Q 7.57 4.06 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 11 R 7.78 4.47 0.00 1.86 1.91 0.00 3.34 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 12 L 7.33 4.01 0.00 1.98 1.81 1.01 1.08 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 13 F 8.26 4.36 0.00 3.01 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 14 P 0.00 4.36 0.00 2.28 2.35 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.09 0.00 15 L 8.13 3.99 0.00 1.97 1.77 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.03 3.73 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.86 0.00 0.00 17 E 8.02 3.90 0.00 2.07 2.11 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 2.30 2.31 0.00 18 Q 8.34 3.95 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 19 V 7.79 3.30 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 0.78 0.00 0.00 1.01 0.00 0.00 20 N 7.86 4.38 0.00 2.78 2.89 0.00 0.00 6.97 8.53 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 21 T 7.10 4.28 4.21 0.00 0.00 0.00 0.00 0.00 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 22 D 8.79 4.43 0.00 2.78 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 23 H 7.42 4.91 0.00 3.37 3.46 0.00 5.60 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.24 4.63 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 25 P 0.00 4.64 0.00 2.04 2.00 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 26 V 8.42 4.44 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 1.11 0.00 0.00 0.93 0.00 0.00 27 R 8.39 4.59 0.00 1.82 1.84 0.00 3.13 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 28 I 9.07 4.87 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 0.91 0.00 0.00 29 T 9.17 5.03 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 1.21 0.00 0.00 30 S 8.33 4.94 0.00 3.92 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 31 R 8.91 3.88 0.00 1.93 2.13 0.00 3.02 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 32 A 7.95 4.26 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 33 G 7.78 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.50 5.19 0.00 2.60 2.65 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 0.00 0.00 0.00 0.00 35 A 8.90 4.76 1.18 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 0.00 0.00 36 V 8.31 4.75 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 0.79 0.00 0.00 0.91 0.00 0.00 37 L 8.82 4.80 0.00 1.78 1.50 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.36 5.30 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 39 S 8.62 4.33 0.00 4.23 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 40 A 8.83 4.02 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 41 D 8.17 4.37 0.00 3.00 2.99 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 42 D 8.07 4.41 0.00 2.93 2.81 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 43 Y 8.14 4.08 0.00 3.14 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 44 D 8.68 4.43 0.00 2.83 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.16 4.03 1.46 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 0.00 0.00 0.00 46 W 8.23 4.00 0.00 3.52 3.14 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 0.00 47 Q 8.21 3.91 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 48 E 8.57 3.98 0.00 2.15 1.97 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 2.29 2.44 0.00 49 T 7.76 3.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 50 V 7.26 3.39 1.90 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 0.69 0.00 0.00 0.24 0.00 0.00 51 Y 7.95 4.09 0.00 3.24 3.09 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 0.00 0.00 0.00 0.00 52 L 7.92 4.13 0.00 1.91 1.67 0.92 0.68 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 53 L 7.51 4.26 0.00 1.67 1.61 0.73 0.89 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 54 R 7.54 4.10 0.00 1.61 1.81 0.00 2.44 0.00 0.00 2.85 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 55 S 7.33 4.59 0.00 3.69 3.76 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 0.00 0.00 0.00 56 P 0.00 4.26 0.00 2.17 2.06 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 57 E 8.17 3.99 0.00 2.17 2.19 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 2.33 2.38 0.00 58 N 8.24 4.31 0.00 3.03 2.88 0.00 0.00 6.81 6.83 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 59 A 7.63 3.95 1.32 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 0.00 0.00 0.00 60 R 7.86 3.78 0.00 1.87 2.06 0.00 3.33 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 61 R 8.26 3.91 0.00 2.02 1.97 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 62 L 8.07 3.96 0.00 1.66 1.70 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.19 3.96 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 64 E 8.22 3.95 0.00 2.11 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 2.34 2.59 0.00 65 A 7.89 4.13 1.32 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 0.00 0.00 0.00 66 V 7.82 3.57 2.23 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 1.00 0.00 0.00 0.98 0.00 0.00 67 A 7.84 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.39 4.04 0.00 1.95 1.91 0.00 3.36 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 1.86 1.85 0.00