NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3757 8.1127 119.6567 56.1573 32.4231 173.5148 5 E 4.7456 8.3757 120.4380 53.1853 32.3740 173.5365 6 C 4.3584 9.8616 128.2169 59.5322 32.6112 173.5904 7 D 4.4510 8.6867 127.8468 56.2920 39.8823 176.0232 8 Y 4.3332 7.0771 119.1085 58.9850 40.5242 175.9495 9 C 4.0355 8.1594 115.0301 59.3836 30.7312 175.7491 10 G 3.9888 8.1197 107.9838 44.8123 0.0000 173.5344 11 T 4.2731 7.6019 109.8447 61.2568 70.7006 173.3831 12 D 4.9548 8.4998 122.6393 54.1209 41.5143 176.3505 13 I 3.9363 8.3012 125.7782 60.6949 37.5339 175.9856 14 E 3.9094 8.9909 128.8636 55.5517 29.8443 174.8708 15 P 4.2692 0.0000 0.0000 64.2957 31.6809 175.7975 16 G 3.8674 9.4997 107.4206 46.5275 0.0000 173.2734 17 T 4.4453 7.9267 112.9701 62.9925 72.5027 174.5367 18 G 4.1321 8.9950 108.6532 45.7696 0.0000 172.5784 19 T 4.7975 8.2786 113.8442 61.6974 72.5901 173.2780 20 M 5.0556 8.6878 123.9935 53.8585 34.2404 174.5204 21 F 4.7306 9.6272 130.1607 57.4612 41.2708 174.5335 22 V 4.3400 7.5131 126.2014 61.1618 32.2764 175.0420 23 H 4.0318 8.5550 125.9464 55.2028 29.4420 176.9863 24 K 3.8840 8.7345 122.2353 59.7686 31.9345 177.8738 25 D 4.4211 7.9619 115.6798 54.0498 39.5250 176.4909 26 G 3.9411 7.7875 106.5594 45.2192 0.0000 174.1832 27 A 4.2475 8.4299 122.1399 52.6803 19.7437 176.5991 28 T 5.0174 8.3144 114.8296 62.0816 72.4365 173.7325 29 T 4.6924 9.0968 122.3796 62.1146 72.1598 172.5888 30 H 5.1137 9.1788 124.5415 54.6979 30.3228 174.2938 31 F 5.2991 9.3717 123.3804 55.9618 40.7668 177.0753 32 C 4.3365 9.1310 117.2515 60.5116 30.2980 173.4931 33 S 4.5793 7.5565 114.1883 56.5051 66.2484 175.5615 34 S 4.1144 8.3921 116.3571 61.1592 62.7541 175.9722 35 K 3.7277 8.0306 122.8254 59.7186 31.7537 178.3285 36 C 4.1134 7.6391 116.3779 62.7070 28.0864 175.7630 37 E 2.5400 7.4120 120.1832 59.2748 28.7647 179.4037 38 N 4.2346 8.2147 115.0484 56.1215 38.8974 177.0828 39 N 4.5079 8.1452 117.8831 56.2034 38.6981 177.3282 40 A 4.3300 7.7295 122.3854 55.3438 18.2300 179.4287 41 D 4.3176 7.7773 116.3112 56.8450 39.6281 177.9477 42 L 4.3940 7.7015 118.0847 54.3711 41.3849 178.0577 43 G 3.8673 7.9012 106.9080 45.9473 0.0000 174.3007 44 R 4.2801 7.3582 117.9280 55.4604 31.0982 175.7650 45 E 4.5160 8.5208 120.3950 54.3991 31.1821 176.7395 46 A 3.4032 8.2449 127.4242 55.1599 18.3401 179.5687 47 R 3.8205 7.6302 110.3741 58.5907 29.6724 176.9638 48 N 4.5786 8.1803 114.8999 52.9576 39.0375 174.4628 49 L 4.5505 7.2183 120.3553 52.5447 43.0527 177.0114 50 E 3.9556 8.9834 124.5774 59.1772 29.5292 178.7608 51 W 4.4122 7.9064 113.9250 58.5981 28.8707 176.6306 52 T 3.8123 7.1277 117.8131 63.1246 68.3124 175.2123 53 D 4.3341 8.7369 125.8767 57.8034 40.8686 177.8240 54 T 3.7589 7.5151 114.8705 66.6376 68.8583 175.0929 55 A 4.0331 7.9000 124.0392 55.2516 18.5805 177.5628 56 R 4.1044 7.8483 115.0882 56.4577 29.6765 176.2244 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 4 R 8.11 4.38 0.00 1.77 1.90 0.00 2.95 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 5 E 8.38 4.75 0.00 1.95 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 2.16 2.38 0.00 6 C 9.86 4.36 0.00 3.06 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 7 D 8.69 4.45 0.00 2.63 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 8 Y 7.08 4.33 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 4.04 0.00 3.20 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 3.99 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 0.00 0.00 0.00 11 T 7.60 4.27 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 1.34 0.00 0.00 12 D 8.50 4.95 0.00 2.61 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 13 I 8.30 3.94 1.91 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 1.19 0.59 0.97 0.00 0.00 14 E 8.99 3.91 0.00 1.93 1.91 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 2.32 2.40 0.00 15 P 0.00 4.27 0.00 2.23 2.06 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 16 G 9.50 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 17 T 7.93 4.45 4.56 0.00 0.00 0.00 0.00 0.00 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 18 G 8.99 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 0.00 0.00 0.00 19 T 8.28 4.80 4.37 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 1.30 0.00 0.00 20 M 8.69 5.06 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.34 0.00 21 F 9.63 4.73 0.00 3.33 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 22 V 7.51 4.34 1.85 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 0.73 0.00 0.00 0.83 0.00 0.00 23 H 8.55 4.03 0.00 3.36 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.73 3.88 0.00 1.75 1.87 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 7.96 4.42 0.00 2.82 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 26 G 7.79 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 0.00 0.00 0.00 27 A 8.43 4.25 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 28 T 8.31 5.02 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 1.18 0.00 0.00 29 T 9.10 4.69 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 0.51 0.00 0.00 30 H 9.18 5.11 0.00 3.12 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.37 5.30 0.00 3.03 3.06 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 0.00 32 C 9.13 4.34 0.00 3.17 3.17 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 33 S 7.56 4.58 0.00 4.03 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 34 S 8.39 4.11 0.00 3.97 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 35 K 8.03 3.73 0.00 1.74 1.83 0.00 1.39 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.43 1.38 7.81 36 C 7.64 4.11 0.00 3.02 3.08 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 37 E 7.41 2.54 0.00 1.69 1.31 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 1.47 2.20 0.00 38 N 8.21 4.23 0.00 2.58 2.79 0.00 0.00 7.16 8.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.15 4.51 0.00 3.01 3.07 0.00 0.00 6.83 7.40 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 40 A 7.73 4.33 1.26 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 41 D 7.78 4.32 0.00 2.69 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 42 L 7.70 4.39 0.00 1.98 1.70 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.90 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 44 R 7.36 4.28 0.00 2.25 1.99 0.00 3.26 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 45 E 8.52 4.52 0.00 1.98 1.79 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 2.32 2.30 0.00 46 A 8.24 3.40 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 3.82 0.00 1.84 1.96 0.00 2.97 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 48 N 8.18 4.58 0.00 2.73 2.85 0.00 0.00 6.83 7.80 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 49 L 7.22 4.55 0.00 0.92 0.94 0.96 1.04 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 50 E 8.98 3.96 0.00 2.03 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 0.00 2.32 2.33 0.00 51 W 7.91 4.41 0.00 3.54 3.21 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 52 T 7.13 3.81 3.97 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 0.91 0.00 0.00 53 D 8.74 4.33 0.00 2.82 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 54 T 7.52 3.76 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 1.07 0.00 0.00 55 A 7.90 4.03 1.26 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 56 R 7.85 4.10 0.00 1.93 1.91 0.00 3.13 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00