NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4164 8.3344 115.3020 58.2903 63.7447 171.6301 8 D 5.1733 8.3105 122.2086 50.8399 44.8712 173.0009 9 F 5.2123 8.1136 115.2268 55.6798 41.7027 173.0247 10 V 4.4683 8.8277 118.3783 61.0358 34.8881 174.0233 11 V 4.8302 8.7313 127.0871 61.3215 33.9928 174.3701 12 I 4.8864 9.0279 128.3337 59.5013 40.5814 174.0526 13 K 5.0590 9.1273 129.3107 54.3426 34.4856 175.0641 14 A 4.4720 8.9611 130.2509 52.1205 19.2262 177.5147 15 L 4.7063 9.1044 121.9933 54.7433 42.7312 175.6910 16 E 4.7616 7.7090 115.7432 54.8247 32.8748 174.4246 17 D 4.3906 8.5939 119.6121 55.0090 41.6900 177.1355 18 G 3.8529 8.5886 108.9872 45.8035 0.0000 174.0307 19 V 3.9358 7.5062 119.8831 62.8682 32.8735 174.5954 20 N 5.4401 8.9441 124.2809 51.4036 41.9185 173.4108 21 V 4.7466 8.7680 123.5773 61.1564 34.0437 174.2184 22 I 4.7268 8.8965 128.9221 59.3584 40.3522 174.6538 23 G 4.1849 8.9510 114.6385 44.7679 0.0000 172.3705 24 L 5.5677 8.4814 124.2910 52.6969 44.4646 176.2114 25 T 4.5920 8.6256 114.0592 61.7466 69.4758 174.2485 26 R 4.4541 7.7411 125.5154 56.5414 30.9564 175.3037 27 G 3.7516 8.7844 109.9906 44.0367 0.0000 172.9115 28 A 4.0954 8.6024 121.6649 54.7438 18.6214 178.1410 29 D 4.7604 7.8069 114.0602 53.6147 42.2436 176.0516 30 T 4.7848 8.3168 118.5071 61.9379 71.1969 173.3468 31 R 4.7424 8.8830 122.3334 54.2690 33.6918 174.3233 32 F 5.2571 8.7602 119.5518 58.1289 38.9798 175.0171 33 H 4.9726 8.9347 118.8791 56.0745 30.3971 174.1011 34 H 4.6389 7.5659 116.5058 55.2807 33.1757 172.0402 35 S 4.9510 8.4585 119.7012 56.3849 64.8461 172.2153 36 E 4.5517 9.2498 128.8762 54.3255 31.3431 174.5248 37 K 4.7972 8.6207 128.5346 55.8067 33.6181 175.5934 38 L 5.0237 9.1668 126.4257 53.1778 45.3230 176.0685 39 D 5.0172 9.1956 123.3903 52.2152 43.5168 175.8244 40 K 3.8834 9.2590 121.3455 58.7508 32.1768 176.9354 41 G 4.0079 9.2117 115.4709 45.1452 0.0000 173.3825 42 E 4.2682 8.0833 119.8051 56.2304 30.7730 176.0088 43 V 4.8904 8.3073 122.0613 61.0067 34.5512 174.2582 44 L 4.7729 9.2366 129.0367 53.2511 45.1233 174.9235 45 I 5.0446 8.5362 126.3195 59.6613 39.2511 174.6452 46 A 4.7034 8.9044 129.4387 50.0343 21.6250 175.4391 47 Q 4.7729 8.6669 121.3738 55.2887 30.2421 175.8203 48 F 4.7446 8.5545 120.6758 57.8213 39.6244 175.2040 49 T 4.7236 8.9625 111.5750 59.9920 71.9643 174.0097 50 E 3.6526 8.9203 121.2404 59.0653 29.6378 177.0142 51 H 4.6999 7.8999 113.7649 55.7363 30.4092 173.8327 52 T 5.1903 8.0547 116.7364 61.9192 71.2321 174.3808 53 S 5.0365 9.1328 119.5731 58.0048 65.1193 173.4697 54 A 5.2060 7.9855 121.6040 50.8980 22.7613 174.9919 55 I 5.0010 8.5102 120.2681 59.3551 40.6604 174.7518 56 K 4.5945 8.9187 128.2502 54.5057 34.8413 174.8007 57 V 4.8717 8.2823 125.5843 61.1391 34.2784 174.5433 58 R 4.5660 8.9792 126.4875 55.5029 33.1454 175.8935 59 G 4.0494 9.0006 109.1128 44.0838 0.0000 172.8182 60 K 4.3412 9.3042 121.1565 56.2350 32.7719 175.6563 61 A 5.1205 8.6343 127.9647 50.7675 23.2106 173.5276 62 Y 4.8337 9.0540 122.1154 56.0832 40.9487 174.5570 63 I 4.9493 8.3231 127.4317 59.4876 40.9166 174.4338 64 Q 5.0904 8.9494 125.3344 54.3355 32.1193 174.8076 65 T 4.7085 8.5422 112.3598 59.5720 72.4998 174.4473 66 R 3.7158 8.5835 120.7076 59.6911 29.8022 176.6672 67 H 4.5867 7.8972 112.7620 55.6253 29.7827 174.2895 68 G 3.7822 7.1552 105.9773 44.0921 0.0000 172.4815 69 V 4.6836 8.1768 121.1156 60.9877 34.1652 176.6994 70 I 4.4478 8.1901 119.5450 59.2516 39.9372 173.8388 71 E 4.7952 8.9478 128.1330 55.1488 31.6600 175.5950 72 S 3.5634 8.2215 114.7662 59.6742 61.9228 172.0504 73 E 4.2231 8.1497 130.1602 58.2320 28.2367 176.6825 74 G 4.2556 7.6880 110.6301 45.8444 0.0000 172.1304 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 7 S 8.33 4.42 0.00 3.91 3.94 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 8 D 8.31 5.17 0.00 2.87 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.11 5.21 0.00 3.04 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 10 V 8.83 4.47 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 0.94 0.00 0.00 0.78 0.00 0.00 11 V 8.73 4.83 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 1.10 0.00 0.00 1.19 0.00 0.00 12 I 9.03 4.89 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.75 0.91 0.00 0.00 13 K 9.13 5.06 0.00 1.90 1.81 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.96 4.47 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 15 L 9.10 4.71 0.00 1.61 1.72 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.71 4.76 0.00 1.92 1.89 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 2.18 2.34 0.00 17 D 8.59 4.39 0.00 2.59 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 18 G 8.59 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 0.00 0.00 0.00 19 V 7.51 3.94 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 0.96 0.00 0.00 1.05 0.00 0.00 20 N 8.94 5.44 0.00 2.70 2.59 0.00 0.00 6.29 7.27 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 21 V 8.77 4.75 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 0.90 0.00 0.00 0.90 0.00 0.00 22 I 8.90 4.73 1.39 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.48 0.10 0.00 0.00 23 G 8.95 4.18 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 0.00 24 L 8.48 5.57 0.00 1.92 1.68 0.79 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.63 4.59 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 26 R 7.74 4.45 0.00 1.92 1.99 0.00 3.24 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.78 3.75 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 0.00 0.00 0.00 28 A 8.60 4.10 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 29 D 7.81 4.76 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.78 4.27 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 1.30 0.00 0.00 31 R 8.88 4.74 0.00 1.84 1.96 0.00 2.80 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 32 F 8.76 5.26 0.00 2.90 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 33 H 8.93 4.97 0.00 3.13 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.57 4.64 0.00 3.30 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.46 4.95 0.00 3.78 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.25 4.55 0.00 2.14 1.77 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 2.23 2.27 0.00 37 K 8.62 4.80 0.00 1.79 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.59 7.81 38 L 9.17 5.02 0.00 1.54 1.50 0.98 0.95 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 39 D 9.20 5.02 0.00 2.58 2.71 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 0.00 0.00 0.00 0.00 40 K 9.26 3.88 0.00 1.78 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.48 7.81 41 G 9.21 4.01 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 0.00 0.00 0.00 42 E 8.08 4.27 0.00 2.05 1.88 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 2.32 2.34 0.00 43 V 8.31 4.89 2.09 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 0.86 0.00 0.00 0.95 0.00 0.00 44 L 9.24 4.77 0.00 1.70 1.44 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.54 5.04 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 1.29 0.68 0.79 0.00 0.00 46 A 8.90 4.70 1.12 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 47 Q 8.67 4.77 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 48 F 8.55 4.74 0.00 3.03 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 49 T 8.96 4.72 4.30 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 1.29 0.00 0.00 50 E 8.92 3.65 0.00 1.93 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 0.00 1.99 2.26 0.00 51 H 7.90 4.70 0.00 3.11 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.05 5.19 4.34 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 1.32 0.00 0.00 53 S 9.13 5.04 0.00 3.86 4.09 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 54 A 7.99 5.21 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 55 I 8.51 5.00 1.78 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.80 0.00 0.00 56 K 8.92 4.59 0.00 1.66 1.36 0.00 1.57 0.00 0.00 1.39 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.32 7.81 57 V 8.28 4.87 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 0.85 0.00 0.00 0.89 0.00 0.00 58 R 8.98 4.57 0.00 1.75 1.76 0.00 3.10 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 59 G 9.00 4.05 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 0.00 0.00 0.00 60 K 9.30 4.34 0.00 1.85 1.72 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.63 5.12 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 62 Y 9.05 4.83 0.00 3.08 2.83 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 63 I 8.32 4.95 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.80 0.82 0.00 0.00 64 Q 8.95 5.09 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 65 T 8.54 4.71 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 1.14 0.00 0.00 66 R 8.58 3.72 0.00 1.76 1.84 0.00 3.22 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 67 H 7.90 4.59 0.00 3.17 3.29 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.16 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 0.00 0.00 0.00 69 V 8.18 4.68 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 0.69 0.00 0.00 0.91 0.00 0.00 70 I 8.19 4.45 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.17 0.88 0.00 0.00 71 E 8.95 4.80 0.00 2.28 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 2.31 2.49 0.00 72 S 8.22 3.56 0.00 4.13 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 73 E 8.15 4.22 0.00 2.14 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 2.44 2.21 0.00 74 G 7.69 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 0.00 0.00 0.00 0.00