NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2518 8.1614 120.1310 55.3339 34.8167 175.8313 4 G 3.4744 7.7654 108.2068 47.2308 0.0000 173.3921 5 H 4.7214 8.5014 122.9395 55.5883 29.8319 175.0460 6 S 4.1412 7.6475 116.9404 61.4000 62.6737 175.6645 7 L 4.3629 7.7040 122.1346 56.6789 42.5415 178.0219 8 Q 3.8740 7.8551 118.9463 59.2764 29.1536 177.4895 9 D 4.3450 8.0996 119.7502 57.0286 40.9545 176.8992 10 P 4.2605 0.0000 0.0000 65.8838 31.3742 177.7325 11 Y 3.9808 7.8711 117.6416 60.9107 38.6229 178.3530 12 L 3.7996 8.1075 119.8613 57.6833 41.6264 179.0239 13 N 4.5079 8.7442 117.3193 56.9887 38.8936 176.9989 14 T 3.7966 8.4630 117.3462 66.7274 68.5794 176.5333 15 L 3.8740 7.7860 120.8130 57.6657 41.5830 179.7634 16 R 4.3538 8.1314 120.0223 58.9138 29.9175 178.4941 17 K 3.8454 8.3262 117.1000 59.6337 32.0972 177.7443 18 E 4.3699 8.3387 114.9677 55.3594 29.3826 176.2708 19 R 3.7473 7.5725 116.6206 56.9529 28.4072 176.6189 20 V 3.8313 7.5334 116.8199 62.0670 32.4063 174.0572 21 P 4.6330 0.0000 0.0000 62.8973 32.4693 175.7361 22 V 4.9311 8.9149 116.4751 59.7892 36.7288 174.3442 23 S 5.0817 9.0307 118.8614 56.8960 65.6484 173.2214 24 I 4.8265 8.5439 125.9392 59.8624 39.3246 174.1811 25 Y 4.8552 8.9004 125.9839 56.8989 39.4484 175.6462 26 L 4.8854 9.2021 124.6269 53.6497 43.2924 178.4933 27 V 3.7787 8.8992 115.1271 64.0800 31.5907 177.1677 28 N 4.6911 8.2698 115.3229 52.3710 37.3234 175.9894 29 G 4.0419 8.5570 107.9498 45.5130 0.0000 174.2216 30 I 4.0355 7.8984 121.5133 60.9634 38.5274 174.8099 31 K 4.5333 8.5491 127.2701 54.7621 33.5212 175.2820 32 L 4.7801 8.7850 127.6592 53.5796 44.5611 175.5209 33 Q 4.8321 8.5863 118.1582 54.1909 32.8558 176.2466 34 G 3.7755 7.1579 108.5709 45.8034 0.0000 171.0817 35 Q 4.8670 8.1021 120.6878 53.8577 32.5438 175.5561 36 I 4.3018 8.3031 123.7512 61.6563 37.3314 175.9401 37 E 4.2194 9.1160 129.9726 58.1743 30.6707 175.5509 38 S 4.7450 7.7724 112.1268 58.3399 65.8113 174.6528 39 F 5.1904 7.9090 115.0811 56.1318 39.9700 173.4144 40 D 4.9009 8.5283 121.9110 52.1984 41.3167 175.1293 41 Q 3.8896 8.7029 117.8660 58.7019 29.3014 177.9666 42 F 5.0643 8.9094 115.5992 57.3975 41.5514 175.1250 43 V 5.0050 7.9011 111.8187 59.4788 36.3580 174.4670 44 I 4.9254 8.7821 122.9369 59.5330 40.6322 174.7078 45 L 4.7809 9.1001 129.4519 53.9178 43.2683 175.0317 46 L 4.9296 8.7829 130.6735 53.5481 43.5174 174.9063 47 K 4.6469 9.0485 129.3024 55.6661 33.8264 175.4494 48 N 4.9689 8.0278 124.4404 53.5137 41.8780 172.9590 49 T 4.0199 8.8512 113.5058 66.4204 68.4659 174.4497 50 V 4.3035 7.6019 120.2657 59.7814 33.2015 174.6901 51 S 5.0707 8.3953 118.9445 57.8585 63.7758 172.7735 52 Q 4.6351 8.6244 120.7250 55.4705 32.1605 172.5542 53 M 4.7255 8.6007 121.3425 54.2732 33.6757 174.9371 54 V 4.3715 8.6828 127.2573 61.2038 33.9680 174.5331 55 Y 4.5735 8.6460 126.0219 57.4963 38.5543 176.6018 56 K 3.9031 9.2198 125.2388 59.5652 32.4195 179.1277 57 A 3.9607 8.3329 120.0104 54.6025 18.5625 177.6444 58 A 4.5073 8.2711 117.3760 52.2360 19.5275 176.5185 59 I 4.4903 7.6690 118.1761 60.3980 38.0589 175.5578 60 S 4.4370 8.8609 121.9346 60.5037 62.2339 173.6012 61 T 4.7743 7.7454 112.7573 60.3797 71.4219 171.6775 62 V 4.7548 8.4527 125.7209 61.1978 33.7167 175.0034 63 V 4.4173 9.1456 128.6070 60.2782 33.1870 173.0229 64 P 4.7815 0.0000 0.0000 62.6957 31.5009 177.0227 65 S 4.5242 8.8796 117.3151 60.5596 63.6890 174.2816 66 R 4.7105 7.6877 114.5552 53.3246 32.3804 172.7460 67 P 4.4015 0.0000 0.0000 63.0871 31.8598 176.4572 68 V 4.4643 7.9680 113.7351 59.2388 34.9310 175.6642 69 R 4.2422 8.4058 120.3653 55.4569 30.4967 176.3398 70 L 4.1178 8.7698 122.4459 57.3809 41.8222 176.2004 71 P 4.1533 0.0000 0.0000 62.8300 31.5973 176.1966 72 S 5.1607 8.8676 115.9913 58.2031 62.0962 173.8591 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 3 K 8.16 4.25 0.00 1.82 1.88 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.44 7.81 4 G 7.77 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.50 4.72 0.00 3.25 3.55 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.65 4.14 0.00 4.06 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 7 L 7.70 4.36 0.00 1.75 1.64 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.86 3.87 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 9 D 8.10 4.34 0.00 2.89 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 10 P 0.00 4.26 0.00 2.21 2.15 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.20 0.00 11 Y 7.87 3.98 0.00 3.21 3.04 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 0.00 0.00 0.00 0.00 12 L 8.11 3.80 0.00 0.81 0.76 0.33 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.74 4.51 0.00 3.17 2.98 0.00 0.00 7.26 7.57 0.00 0.00 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 T 8.46 3.80 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 1.12 0.00 0.00 15 L 7.79 3.87 0.00 1.72 1.62 0.69 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.13 4.35 0.00 2.05 2.17 0.00 3.24 0.00 0.00 3.37 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 17 K 8.33 3.85 0.00 1.98 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.45 7.81 18 E 8.34 4.37 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 19 R 7.57 3.75 0.00 1.92 2.11 0.00 3.15 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 20 V 7.53 3.83 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 0.69 0.00 0.00 0.88 0.00 0.00 21 P 0.00 4.63 0.00 2.10 1.95 0.00 3.57 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 2.10 2.10 0.00 22 V 8.91 4.93 2.10 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 0.73 0.00 0.00 0.95 0.00 0.00 23 S 9.03 5.08 0.00 3.75 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.54 4.83 1.83 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 1.24 0.61 0.93 0.00 0.00 25 Y 8.90 4.86 0.00 2.99 2.91 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 0.00 0.00 0.00 26 L 9.20 4.89 0.00 1.76 1.70 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.90 3.78 2.10 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 0.73 0.00 0.00 1.02 0.00 0.00 28 N 8.27 4.69 0.00 2.82 2.92 0.00 0.00 6.20 7.00 0.00 0.00 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 G 8.56 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.90 4.04 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.91 0.00 0.00 31 K 8.55 4.53 0.00 1.53 1.57 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.02 0.52 7.81 32 L 8.78 4.78 0.00 1.51 1.50 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.59 4.83 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 34 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 35 Q 8.10 4.87 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 36 I 8.30 4.30 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 1.24 0.91 0.99 0.00 0.00 37 E 9.12 4.22 0.00 1.95 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 2.28 2.25 0.00 38 S 7.77 4.75 0.00 3.85 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 39 F 7.91 5.19 0.00 3.23 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.53 4.90 0.00 2.67 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 41 Q 8.70 3.89 0.00 1.71 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.91 0.00 0.00 0.00 0.00 0.00 1.18 2.04 0.00 42 F 8.91 5.06 0.00 3.15 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 43 V 7.90 5.00 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 0.25 0.00 0.00 0.91 0.00 0.00 44 I 8.78 4.93 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.71 0.94 0.00 0.00 45 L 9.10 4.78 0.00 1.73 1.57 0.94 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.78 4.93 0.00 1.80 1.53 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.05 4.65 0.00 2.04 1.78 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.37 7.81 48 N 8.03 4.97 0.00 2.76 2.81 0.00 0.00 7.21 7.58 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 49 T 8.85 4.02 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 1.21 0.00 0.00 50 V 7.60 4.30 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 0.81 0.00 0.00 0.93 0.00 0.00 51 S 8.40 5.07 0.00 3.90 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 52 Q 8.62 4.64 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 53 M 8.60 4.73 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 54 V 8.68 4.37 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 0.93 0.00 0.00 0.94 0.00 0.00 55 Y 8.65 4.57 0.00 3.12 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 56 K 9.22 3.90 0.00 2.01 1.95 0.00 1.89 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.47 7.81 57 A 8.33 3.96 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 58 A 8.27 4.51 1.42 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 0.00 0.00 59 I 7.67 4.49 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.84 1.03 0.00 0.00 60 S 8.86 4.44 0.00 3.89 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 0.00 61 T 7.75 4.77 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 1.26 0.00 0.00 62 V 8.45 4.75 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 0.97 0.00 0.00 0.98 0.00 0.00 63 V 9.15 4.42 2.30 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 1.12 0.00 0.00 1.10 0.00 0.00 64 P 0.00 4.78 0.00 2.11 1.93 0.00 3.85 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 65 S 8.88 4.52 0.00 3.87 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 66 R 7.69 4.71 0.00 1.85 1.88 0.00 3.08 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 67 P 0.00 4.40 0.00 2.06 2.05 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 68 V 7.97 4.46 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 0.69 0.00 0.00 0.76 0.00 0.00 69 R 8.41 4.24 0.00 1.92 1.93 0.00 3.04 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 70 L 8.77 4.12 0.00 1.66 1.83 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.15 0.00 2.04 2.04 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 72 S 8.87 5.16 0.00 3.85 3.81 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