NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.4912 8.0333 117.3450 63.5877 70.6435 173.1532 10 F 4.6159 9.0022 124.9714 55.8188 41.4573 169.3156 11 V 4.6108 8.4564 121.2891 60.9405 34.9966 174.1632 12 A 4.3440 8.4818 129.8752 51.7175 18.5016 178.2818 13 L 4.0116 8.6872 122.8625 58.2279 42.0828 177.3382 14 Y 4.8440 7.2018 115.3357 56.0023 39.4115 175.0953 15 D 4.5994 8.6333 123.5511 54.0283 40.1772 175.2530 16 Y 4.1258 7.7196 126.6756 56.7566 39.7269 173.9149 17 E 4.1544 8.5033 129.0566 54.4598 30.0355 175.6702 18 S 4.1871 7.6641 123.0747 58.4110 63.6301 174.9023 19 R 4.2756 8.4246 120.7928 56.6436 30.8198 175.7572 20 T 4.6297 7.5028 111.0856 59.7188 70.1692 172.9757 21 E 4.2231 8.5114 119.8900 58.0999 29.6589 177.2906 22 T 3.8527 7.4124 115.9841 66.9826 68.9827 173.3172 23 D 4.8077 7.8371 121.6625 54.3179 41.8136 176.7017 24 L 4.5378 8.6272 124.2143 54.6034 42.8371 176.2258 25 S 4.6395 8.4593 115.5543 56.7618 65.1895 173.3897 26 F 5.0443 7.6376 116.0306 55.4146 41.3876 174.9797 27 K 4.7276 8.5449 120.3969 55.1594 35.2729 175.5717 28 K 4.8633 8.1683 122.4377 59.2078 31.0648 175.3826 29 G 3.5795 8.6883 121.6266 45.5643 0.0000 172.1013 30 E 4.1893 7.8333 122.0081 56.3192 30.6512 176.0925 31 R 5.1024 8.5032 124.5844 54.7799 33.0812 175.4401 32 L 4.7679 8.3111 119.9015 53.3370 46.8882 175.3241 33 Q 4.5547 8.6295 122.0228 55.4377 29.9069 175.6776 34 I 3.8747 8.1295 125.2973 61.7611 37.3598 175.7033 35 V 3.8964 8.2909 126.8543 64.5486 32.0368 174.8047 36 N 4.2470 7.7846 116.8522 53.8337 40.9727 171.7003 37 N 4.0018 8.6199 117.1501 53.9461 35.1977 173.3704 38 T 3.6805 7.9399 116.6662 62.7498 68.4785 173.8071 39 E 4.6878 7.5003 120.4604 56.2446 32.8065 174.3090 40 G 4.2454 10.3908 106.5536 45.5539 0.0000 174.4570 41 D 4.6951 8.5790 121.6072 54.6979 44.0079 173.9436 42 W 4.5545 8.0966 118.3265 56.2010 32.2434 173.8503 43 W 5.2071 8.8516 125.2384 54.8284 32.5505 174.6949 44 L 5.0206 8.6038 122.7561 53.4059 43.9791 174.9509 45 A 5.2268 8.6136 126.8831 50.4667 23.1837 173.9609 46 H 5.1259 8.6111 119.3186 54.1931 31.7313 174.2770 47 S 4.4037 8.2454 120.9691 58.6800 64.0201 174.9041 48 L 4.6596 8.3512 120.8447 55.0398 41.1482 177.3601 49 T 4.2301 7.0752 114.8781 64.9718 69.6082 175.3959 50 T 4.0464 7.8397 117.6561 62.2317 70.3691 174.6936 51 G 3.6640 7.3019 111.0757 47.2391 0.0000 171.8673 52 Q 4.8054 7.4642 116.8895 54.0710 33.2409 176.0959 53 T 4.3455 8.3784 116.0770 63.5563 70.4961 176.3919 54 G 4.1716 8.4438 108.8436 45.4981 0.0000 169.8749 55 Y 4.5965 8.8180 123.0430 58.6695 38.4446 175.1285 56 I 4.5468 8.6299 118.6498 58.9851 39.5720 173.8151 57 P 3.0168 0.0000 0.0000 61.9082 31.0828 176.3720 58 S 2.0000 6.9154 119.1762 60.1388 63.4988 174.3604 59 N 4.5576 6.4283 116.1626 52.7172 39.8265 174.1553 60 Y 4.1352 8.4148 117.5544 57.6582 35.8783 168.9187 61 V 5.0642 6.9134 117.6873 60.3756 35.5373 174.3533 62 A 4.5561 8.5029 120.2712 49.8429 22.9791 174.0896 63 P 3.3369 0.0000 0.0000 62.6570 31.8004 176.6442 64 S 4.0988 7.6388 118.6448 58.7731 62.9536 174.8122 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 9 T 8.03 4.49 4.29 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 1.25 0.00 0.00 10 F 9.00 4.62 0.00 3.07 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 11 V 8.46 4.61 2.01 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 1.03 0.00 0.00 0.91 0.00 0.00 12 A 8.48 4.34 1.02 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 13 L 8.69 4.01 0.00 0.94 1.75 0.83 0.71 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 14 Y 7.20 4.84 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.63 4.60 0.00 2.57 2.72 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 0.00 0.00 0.00 16 Y 7.72 4.13 0.00 2.68 1.43 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 0.00 0.00 0.00 0.00 17 E 8.50 4.15 0.00 1.85 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 2.09 2.19 0.00 18 S 7.66 4.19 0.00 3.62 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 19 R 8.42 4.28 0.00 1.81 1.97 0.00 3.31 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 20 T 7.50 4.63 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 21 E 8.51 4.22 0.00 2.13 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 0.00 2.25 2.33 0.00 22 T 7.41 3.85 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 1.31 0.00 0.00 23 D 7.84 4.81 0.00 2.98 3.30 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 24 L 8.63 4.54 0.00 1.67 1.67 0.97 1.04 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 25 S 8.46 4.64 0.00 3.67 3.62 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 0.00 0.00 0.00 26 F 7.64 5.04 0.00 3.14 3.26 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 27 K 8.54 4.73 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.47 7.81 28 K 8.17 4.86 0.00 1.90 1.82 0.00 1.91 0.00 0.00 0.61 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.51 7.81 29 G 8.69 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.19 0.00 2.22 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 2.36 2.33 0.00 31 R 8.50 5.10 0.00 1.72 1.91 0.00 3.24 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 32 L 8.31 4.77 0.00 1.55 1.47 0.62 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.63 4.55 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 34 I 8.13 3.87 1.35 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.36 0.42 0.00 0.00 35 V 8.29 3.90 2.18 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 0.62 0.00 0.00 0.86 0.00 0.00 36 N 7.78 4.25 0.00 2.61 2.59 0.00 0.00 6.96 7.75 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 37 N 8.62 4.00 0.00 2.88 3.08 0.00 0.00 6.97 7.71 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 38 T 7.94 3.68 4.06 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 0.00 0.00 0.00 1.14 0.00 0.00 39 E 7.50 4.69 0.00 1.93 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 2.25 2.37 0.00 40 G 10.39 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 0.00 0.00 0.00 0.00 41 D 8.58 4.70 0.00 2.56 2.41 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 0.00 0.00 0.00 0.00 42 W 8.10 4.55 0.00 3.14 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 43 W 8.85 5.21 0.00 3.33 2.97 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 44 L 8.60 5.02 0.00 1.59 1.43 -0.75 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.61 5.23 1.21 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 0.00 0.00 0.00 46 H 8.61 5.13 0.00 3.24 3.11 0.00 5.79 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.25 4.40 0.00 3.81 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 48 L 8.35 4.66 0.00 1.64 1.69 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.08 4.23 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 1.23 0.00 0.00 50 T 7.84 4.05 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 1.22 0.00 0.00 51 G 7.30 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 0.00 0.00 0.00 52 Q 7.46 4.81 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 53 T 8.38 4.35 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 0.96 0.00 0.00 54 G 8.44 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 0.00 0.00 0.00 0.00 55 Y 8.82 4.60 0.00 3.25 3.16 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 0.00 0.00 0.00 0.00 56 I 8.63 4.55 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 1.16 0.00 0.00 57 P 0.00 3.02 0.00 0.90 0.49 0.00 3.43 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.00 58 S 6.92 2.00 0.00 2.72 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 59 N 6.43 4.56 0.00 2.05 1.92 0.00 0.00 6.87 7.32 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 60 Y 8.41 4.14 0.00 3.07 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 61 V 6.91 5.06 1.95 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 0.66 0.00 0.00 1.24 0.00 0.00 62 A 8.50 4.56 1.10 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 63 P 0.00 3.34 0.00 1.75 1.33 0.00 3.61 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 64 S 7.64 4.10 0.00 3.90 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