NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3215 8.1127 121.1239 56.2194 32.0238 173.6491 5 E 4.7481 8.4240 123.6284 53.0356 32.1302 173.7940 6 C 4.3354 9.6926 128.0068 59.5768 32.5346 173.4648 7 D 4.4124 8.6234 126.8928 55.9761 39.7720 175.8869 8 Y 4.4128 7.0882 118.3483 58.8844 41.4305 176.2277 9 C 3.9663 8.1507 115.2242 59.4175 30.7358 175.7845 10 G 3.8846 8.3582 107.9902 44.9236 0.0000 173.2583 11 T 4.4667 7.5072 109.6614 60.7564 70.6541 173.1881 12 D 4.9246 8.4808 121.8570 54.1801 41.8012 176.5709 13 I 4.1350 8.4996 124.9572 60.0214 37.6654 175.6694 14 E 3.8739 9.0017 128.7568 55.6228 29.7483 174.8796 15 P 4.2445 0.0000 0.0000 64.4572 31.5787 175.7528 16 G 3.8250 9.5959 107.1873 46.5471 0.0000 173.0437 17 T 4.4144 7.8920 113.3044 63.1227 72.6183 174.3692 18 G 4.1233 8.8491 109.1732 45.7573 0.0000 172.6257 19 T 4.8130 8.3361 113.4318 61.7531 72.7995 173.1010 20 M 5.0502 8.7411 124.0553 53.8839 34.3836 174.4241 21 F 4.7905 9.4466 129.8253 56.9561 41.3379 174.5105 22 V 4.3337 7.6361 126.6929 61.4689 31.9927 175.3658 23 H 4.1482 8.7555 125.9781 55.1267 29.4509 176.7576 24 K 3.8327 8.7843 122.6584 59.7817 31.9069 177.9414 25 D 4.4188 7.9740 115.7574 54.1225 39.5724 176.5215 26 G 3.9421 7.8804 106.9026 45.2497 0.0000 174.1049 27 A 4.2738 9.1727 122.6229 52.6350 19.7707 176.5582 28 T 5.0318 8.3185 114.6491 62.1058 72.4133 173.8357 29 T 4.6450 8.8791 121.8655 62.1153 72.1277 172.6848 30 H 5.0367 9.9794 125.3233 54.9028 30.3492 174.5848 31 F 5.3418 9.4888 123.1920 56.0518 41.0775 176.6897 32 C 4.4747 8.9860 115.9005 59.4950 30.5673 173.4766 33 S 4.5735 7.4773 114.5369 56.6402 66.2156 175.7802 34 S 4.3680 8.2869 117.7225 60.6641 62.8343 175.8501 35 K 3.6960 8.0741 122.9268 59.7247 31.7439 178.2469 36 C 4.1574 7.7122 115.8958 62.7315 27.9733 175.6979 37 E 2.5400 7.4496 119.9187 59.2970 28.7705 179.3641 38 N 4.1940 8.1193 114.9224 56.3420 38.7487 177.0055 39 N 4.5171 8.0863 117.7422 56.0599 38.5985 177.3787 40 A 4.2719 7.5968 122.3540 55.3206 18.2847 179.4357 41 D 4.4643 7.8067 116.0227 56.8382 40.8909 178.0244 42 L 4.3376 7.3877 117.2688 54.6030 41.9174 177.8343 43 G 4.0143 8.3783 108.1068 45.3159 0.0000 174.5212 44 R 4.1580 7.7668 118.3066 56.0769 30.9509 175.5203 45 E 4.6005 8.5289 120.2406 54.2421 31.7639 176.7820 46 A 3.3901 8.1911 126.5474 55.3518 18.3711 179.8240 47 R 3.8119 7.6718 113.1264 59.0592 30.1855 177.2432 48 N 4.5016 8.2457 113.3042 53.3142 39.0635 174.7346 49 L 4.4991 7.2993 120.1308 52.6503 42.2646 176.8841 50 E 3.9163 8.9368 124.9106 59.0090 29.5056 178.7825 51 W 4.4841 7.8293 113.6874 58.1293 29.0640 176.7434 52 T 3.8062 7.0861 117.4797 62.9800 68.6482 175.1300 53 D 4.3012 8.8167 125.7899 58.0758 41.2060 178.6591 54 T 3.8120 7.9387 114.5293 66.8532 68.6577 175.2481 55 A 4.0076 7.8623 121.7516 55.2314 18.5869 177.5045 56 R 4.0709 7.9448 118.1137 56.6756 30.0166 176.6895 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 4.32 0.00 1.90 1.85 0.00 3.04 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 5 E 8.42 4.75 0.00 1.99 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 2.26 2.33 0.00 6 C 9.69 4.34 0.00 3.08 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 8.62 4.41 0.00 2.54 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 7.09 4.41 0.00 2.92 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 9 C 8.15 3.97 0.00 3.13 3.38 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 10 G 8.36 3.88 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 0.00 0.00 0.00 11 T 7.51 4.47 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 1.33 0.00 0.00 12 D 8.48 4.92 0.00 2.61 2.66 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 13 I 8.50 4.13 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 0.60 0.97 0.00 0.00 14 E 9.00 3.87 0.00 1.93 1.92 0.00 0.00 0.00 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 4.24 0.00 2.22 2.07 0.00 3.92 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 2.01 2.00 0.00 16 G 9.60 3.83 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 0.00 0.00 0.00 17 T 7.89 4.41 4.58 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 1.25 0.00 0.00 18 G 8.85 4.12 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 0.00 19 T 8.34 4.81 4.36 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 0.00 0.00 0.00 1.30 0.00 0.00 20 M 8.74 5.05 0.00 1.97 1.85 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 2.03 2.39 0.00 21 F 9.45 4.79 0.00 3.33 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 22 V 7.64 4.33 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 0.73 0.00 0.00 0.83 0.00 0.00 23 H 8.76 4.15 0.00 3.40 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.78 3.83 0.00 1.74 1.88 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 7.97 4.42 0.00 2.83 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 7.88 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 9.17 4.27 1.19 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 0.00 0.00 28 T 8.32 5.03 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 1.18 0.00 0.00 29 T 8.88 4.65 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 0.58 0.00 0.00 30 H 9.98 5.04 0.00 3.16 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 9.49 5.34 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 4.47 0.00 3.16 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 33 S 7.48 4.57 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 8.29 4.37 0.00 3.98 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 8.07 3.70 0.00 1.74 1.84 0.00 1.37 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.41 1.36 7.81 36 C 7.71 4.16 0.00 3.34 3.11 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 37 E 7.45 2.54 0.00 1.68 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 1.47 1.78 0.00 38 N 8.12 4.19 0.00 2.58 2.79 0.00 0.00 7.17 7.86 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 39 N 8.09 4.52 0.00 3.01 3.11 0.00 0.00 6.86 7.61 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 40 A 7.60 4.27 1.27 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 0.00 0.00 0.00 41 D 7.81 4.46 0.00 2.70 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 42 L 7.39 4.34 0.00 1.83 1.73 0.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.38 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 44 R 7.77 4.16 0.00 2.16 2.00 0.00 3.29 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 45 E 8.53 4.60 0.00 1.96 1.78 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 2.33 2.29 0.00 46 A 8.19 3.39 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 3.81 0.00 1.72 1.91 0.00 3.13 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 48 N 8.25 4.50 0.00 2.73 2.83 0.00 0.00 6.89 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 49 L 7.30 4.50 0.00 1.11 1.01 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.94 3.92 0.00 2.01 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 2.33 2.33 0.00 51 W 7.83 4.48 0.00 3.56 3.22 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 0.00 52 T 7.09 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 0.98 0.00 0.00 53 D 8.82 4.30 0.00 2.90 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.81 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 1.06 0.00 0.00 55 A 7.86 4.01 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 56 R 7.94 4.07 0.00 1.91 1.85 0.00 3.21 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 1.66 1.77 0.00