NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2691 8.4293 121.4695 55.3235 30.1863 175.3430 2 R 3.7639 8.4572 113.4414 56.6236 29.8949 174.9974 3 R 4.2736 9.1475 120.4315 56.9403 34.7309 175.4902 4 R 3.8067 8.5598 112.5483 58.9597 27.2003 175.8744 5 H 4.8499 7.9096 115.3016 56.5333 31.5607 173.7116 6 S 4.4937 7.6394 110.7809 57.9139 64.3261 173.4382 7 G 3.7282 7.8465 108.9237 46.1227 0.0000 174.1204 8 Q 4.0428 7.6957 120.5985 55.4043 29.9504 176.2247 9 D 4.6918 8.1094 117.5652 52.6845 44.2818 175.6066 10 V 4.1621 8.1273 122.8339 60.7879 31.8242 173.9011 11 H 5.1508 8.4114 125.5513 54.9462 33.0632 172.3670 12 V 4.4799 7.9534 115.5399 60.6492 37.2705 172.6419 13 V 4.8637 8.3045 121.0473 61.1191 34.6218 173.7495 14 L 5.8580 8.3456 128.3943 53.3341 42.7224 175.6560 15 K 4.5188 8.8231 124.9751 55.2285 34.3278 174.8073 16 L 5.0727 7.8323 127.2528 53.3386 43.4385 176.3460 17 W 4.6565 11.1456 126.7918 55.0589 30.6467 177.6343 18 K 3.8311 7.8574 121.2725 59.4485 31.4178 177.5128 19 T 4.2645 7.3062 110.9042 61.0678 69.0165 172.5943 20 G 4.7493 8.3505 105.4888 44.4132 0.0000 172.4044 21 F 5.8527 8.0855 116.3536 55.2255 41.3184 174.4268 22 S 5.1867 9.9197 117.2290 57.2598 65.7825 172.4631 23 L 4.7552 8.7907 121.9415 55.4077 43.7500 175.4055 24 D 4.4676 8.8681 129.1736 53.2878 40.6171 174.0823 25 N 4.2147 9.0213 115.6508 56.1174 36.8895 175.2993 26 G 4.0139 7.4850 106.8399 45.2478 0.0000 172.8472 27 D 4.5695 8.1699 119.5334 53.0853 42.3061 175.3180 28 L 4.1131 7.8847 122.0915 55.2403 42.5733 176.8275 29 R 4.1742 8.3619 125.5500 55.0109 31.9060 175.2639 30 S 4.6932 8.1792 116.6252 57.3654 63.2341 174.5322 31 Y 4.3960 8.4391 125.8262 60.8367 37.8617 177.4140 32 Q 4.5622 7.9478 115.3763 55.4417 30.0355 175.6244 33 D 4.6082 8.8951 118.7679 53.4813 41.7862 173.7837 34 P 4.4539 0.0000 0.0000 65.8439 31.6259 177.7227 35 S 3.7752 8.2563 113.9108 60.6192 62.1369 175.5815 36 N 4.6100 8.4576 117.8747 54.4335 36.9463 176.5328 37 A 3.9617 9.0332 125.5163 55.7011 18.0551 179.3630 38 Q 3.9918 8.0207 117.1064 58.7539 29.2869 177.4586 39 F 3.6808 7.9942 121.8008 60.9564 39.3398 176.5812 40 L 3.8711 8.1919 120.0842 58.2033 41.9188 178.8122 41 E 3.8492 7.9118 118.5012 59.4950 29.7926 178.8890 42 S 3.9869 9.1850 115.5164 61.6563 62.8136 176.4103 43 I 3.4865 7.4100 122.8776 63.7589 36.8315 178.1993 44 R 4.0385 7.3986 116.9619 59.5364 30.0473 179.0692 45 R 4.1673 7.4477 115.7675 57.7404 30.3873 175.9166 46 G 3.6853 8.7173 108.5436 45.3486 0.0000 173.1378 47 E 5.4945 7.6911 115.4398 53.2838 33.1155 174.5381 48 V 3.7779 7.8952 120.0254 61.1250 32.7912 175.3273 49 P 4.1470 0.0000 0.0000 65.0691 31.5710 177.2793 50 A 4.4500 7.7083 119.4595 53.8702 19.9559 178.3355 51 E 3.8622 8.1157 116.8942 58.9720 29.4182 178.9616 52 L 4.1093 7.5225 119.2563 58.3705 40.5014 179.0936 53 R 3.9561 7.9493 119.3424 58.9433 30.0218 178.2282 54 R 3.9330 7.8797 117.5410 59.0074 30.3507 176.9607 55 L 4.3212 7.4275 116.9179 56.8535 42.9881 176.9731 56 A 3.8944 7.8462 120.1658 55.1955 18.6237 178.0466 57 H 4.1102 9.9561 112.0221 56.2116 28.2942 176.6487 58 G 4.5888 7.9576 118.0001 45.2633 0.0000 174.2530 59 G 5.3898 7.0793 123.4401 44.7309 0.0000 174.1245 60 Q 4.9593 7.2119 115.4265 55.5359 30.2339 174.3731 61 V 4.4667 8.1119 122.2086 61.5025 36.0427 172.8754 62 N 5.0671 8.5646 123.8366 52.5615 39.2604 174.2547 63 L 5.6575 8.3152 123.3436 52.8336 44.0983 175.5058 64 D 4.7272 8.3123 119.5746 52.6323 43.1032 174.8570 65 M 4.6365 8.5505 127.3195 55.1928 32.4448 175.3835 66 E 4.1958 8.7163 127.1381 55.9549 30.9427 176.0691 67 D 4.6064 8.6818 125.0376 54.3449 41.2282 176.7568 68 H 4.7723 7.9560 125.6396 55.3552 30.5633 174.7359 69 R 4.0155 7.5546 123.6533 59.2471 31.0121 178.3530 70 D 4.7687 7.9070 114.3754 54.6589 41.0320 176.2664 71 E 4.7786 7.9662 114.6086 55.8630 30.3567 175.4116 72 D 5.0531 7.8616 117.3973 53.5796 45.0879 174.4756 73 F 4.1947 9.3667 120.1953 59.8563 37.1634 176.2752 74 V 3.9858 7.5836 121.0538 60.7823 30.4764 174.8344 75 K 4.0468 8.1913 126.0964 58.2377 32.4527 174.7748 76 P 4.4217 0.0000 0.0000 62.9142 31.4675 175.7289 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 1 E 8.43 4.27 0.00 1.94 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 2.18 2.30 0.00 2 R 8.46 3.76 0.00 2.01 1.96 0.00 3.10 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 3 R 9.15 4.27 0.00 1.94 1.84 0.00 3.54 0.00 0.00 3.23 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 4 R 8.56 3.81 0.00 1.96 1.99 0.00 3.18 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 H 7.91 4.85 0.00 3.04 3.32 0.00 5.96 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.64 4.49 0.00 3.93 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 3.73 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 0.00 0.00 0.00 8 Q 7.70 4.04 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 9 D 8.11 4.69 0.00 2.54 2.47 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 10 V 8.13 4.16 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 0.71 0.00 0.00 0.91 0.00 0.00 11 H 8.41 5.15 0.00 3.13 3.18 0.00 5.77 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.95 4.48 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 0.65 0.00 0.00 0.93 0.00 0.00 13 V 8.30 4.86 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 1.18 0.00 0.00 0.94 0.00 0.00 14 L 8.35 5.86 0.00 1.99 2.11 0.86 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.82 4.52 0.00 1.67 1.68 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.60 7.81 16 L 7.83 5.07 0.00 1.81 1.66 1.34 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17 W 11.15 4.66 0.00 3.80 3.48 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 18 K 7.86 3.83 0.00 1.86 1.56 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.35 7.81 19 T 7.31 4.26 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 0.81 0.00 0.00 20 G 8.35 4.75 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 21 F 8.09 5.85 0.00 2.95 3.05 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 22 S 9.92 5.19 0.00 4.48 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.79 4.76 0.00 1.99 1.70 1.25 1.24 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 24 D 8.87 4.47 0.00 3.00 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 25 N 9.02 4.21 0.00 2.84 3.03 0.00 0.00 5.85 7.02 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 26 G 7.48 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 27 D 8.17 4.57 0.00 2.60 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 4.11 0.00 0.83 1.02 -0.40 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.36 4.17 0.00 1.10 0.66 0.00 3.26 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 30 S 8.18 4.69 0.00 3.82 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 31 Y 8.44 4.40 0.00 3.22 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 32 Q 7.95 4.56 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 33 D 8.90 4.61 0.00 2.73 2.62 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 34 P 0.00 4.45 0.00 2.33 2.27 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 35 S 8.26 3.78 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.46 4.61 0.00 3.21 3.58 0.00 0.00 6.47 7.97 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 37 A 9.03 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.02 3.99 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 39 F 7.99 3.68 0.00 3.01 2.37 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 40 L 8.19 3.87 0.00 1.88 1.60 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.91 3.85 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 42 S 9.18 3.99 0.00 4.04 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 43 I 7.41 3.49 1.44 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 0.82 0.00 0.00 44 R 7.40 4.04 0.00 2.08 1.98 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.92 0.00 45 R 7.45 4.17 0.00 1.96 2.15 0.00 3.12 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 46 G 8.72 3.69 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 0.00 0.00 0.00 47 E 7.69 5.49 0.00 1.97 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 2.32 2.22 0.00 48 V 7.90 3.78 2.00 0.00 0.00 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 0.80 0.00 0.00 49 P 0.00 4.15 0.00 2.36 2.42 0.00 3.69 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.48 0.00 50 A 7.71 4.45 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 51 E 8.12 3.86 0.00 2.08 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 2.54 2.45 0.00 52 L 7.52 4.11 0.00 2.01 1.98 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.95 3.96 0.00 1.83 2.06 0.00 3.43 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 54 R 7.88 3.93 0.00 1.83 2.05 0.00 3.26 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 55 L 7.43 4.32 0.00 1.63 1.64 0.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.85 3.89 1.36 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 0.00 0.00 0.00 57 H 9.96 4.11 0.00 3.49 3.41 0.00 5.90 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 58 G 7.96 4.59 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 0.00 0.00 0.00 59 G 7.08 5.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.21 4.96 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 61 V 8.11 4.47 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 0.84 0.00 0.00 0.94 0.00 0.00 62 N 8.56 5.07 0.00 2.75 2.79 0.00 0.00 6.67 6.41 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 63 L 8.32 5.66 0.00 1.45 1.45 0.71 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.31 4.73 0.00 2.79 2.56 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 0.00 65 M 8.55 4.64 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 66 E 8.72 4.20 0.00 1.95 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 2.34 2.25 0.00 67 D 8.68 4.61 0.00 2.56 2.47 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 68 H 7.96 4.77 0.00 2.90 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.55 4.02 0.00 1.82 1.92 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 70 D 7.91 4.77 0.00 2.63 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 71 E 7.97 4.78 0.00 1.95 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 2.26 2.26 0.00 72 D 7.86 5.05 0.00 2.74 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.37 4.19 0.00 2.91 3.43 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 74 V 7.58 3.99 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 0.87 0.00 0.00 1.02 0.00 0.00 75 K 8.19 4.05 0.00 1.52 1.48 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.39 7.81 76 P 0.00 4.42 0.00 2.20 1.98 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00