NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8520 8.3544 109.7366 45.0202 0.0000 173.3381 2 S 3.8791 8.6476 121.8817 57.8140 62.6316 172.1876 3 S 3.6437 9.0347 124.0507 58.4069 61.5501 171.6576 4 G 3.9632 8.0840 106.0113 46.2198 0.0000 172.4625 5 S 4.4438 8.4474 111.7249 59.3534 65.1798 175.6157 6 S 4.5345 7.8665 123.5610 57.0905 62.8564 174.9750 7 G 3.8637 8.2119 118.6837 43.9282 0.0000 170.3245 8 N 4.8568 7.8256 117.8845 52.5128 40.9938 175.1333 9 T 4.7903 8.4147 120.4355 62.2912 71.4920 173.3164 10 Y 5.0300 9.0587 121.8114 56.1243 42.3401 174.7743 11 V 4.9511 8.5469 122.2516 58.7670 33.7694 174.8220 12 A 4.1317 8.6057 127.7909 52.8392 18.5959 177.7635 13 L 3.6834 8.9767 123.8048 57.1675 42.1605 176.7891 14 Y 4.8865 7.1229 112.7141 55.4489 42.1160 175.1269 15 K 4.5553 8.7395 122.1412 56.5526 31.6574 175.6263 16 F 5.0142 9.5236 129.7230 56.7263 42.0789 174.6282 17 V 4.5545 7.1500 124.9063 60.0012 32.3840 172.2906 18 P 4.7117 0.0000 0.0000 62.4679 31.8476 176.8928 19 Q 4.1655 8.8766 124.7286 57.9426 29.6218 175.3450 20 E 4.8651 8.0903 115.4159 54.0139 33.5888 176.0190 21 N 4.2655 9.2080 118.7861 57.0700 39.0540 176.2223 22 E 4.2595 8.5559 116.8111 59.4858 30.3823 177.7002 23 D 5.1279 8.5561 117.6752 54.2202 41.8479 175.7468 24 L 4.8598 8.4830 122.3939 53.3545 44.6360 175.1735 25 E 4.9870 8.8534 126.3155 55.3889 31.0478 174.7726 26 M 5.0944 8.6029 122.3974 53.7679 35.2900 173.8218 27 R 5.0424 8.3621 115.6021 53.4847 33.5051 173.1394 28 P 5.1053 0.0000 0.0000 65.3275 30.5382 174.3760 29 G 3.3197 8.2675 114.6711 45.3391 0.0000 171.1557 30 D 4.8646 7.8592 121.6750 52.8096 43.8736 175.3172 31 I 4.6189 8.1505 120.2751 59.9297 39.1068 175.3173 32 I 4.3835 8.8506 128.8401 59.8643 39.8162 175.3210 33 T 4.6936 8.4325 123.7294 61.7711 69.4875 173.9515 34 L 4.2783 8.3118 129.5442 55.9245 41.9640 176.1813 35 L 4.4314 8.7528 126.5835 56.2640 43.0525 176.6343 36 E 4.6783 8.0507 120.1877 53.7827 31.8802 175.4397 37 D 4.5629 8.3514 127.7616 53.0087 40.1623 177.2423 38 S 4.1776 9.2153 117.4780 62.3543 62.5902 174.0013 39 N 4.8808 8.1612 116.3082 52.6592 39.8218 173.5285 40 E 4.8059 8.6043 113.4531 58.5871 31.8553 177.0854 41 D 4.3844 8.2412 118.9686 56.2315 41.2267 175.8010 42 W 4.5835 7.8386 116.3383 54.4091 32.4214 174.7466 43 W 5.0498 8.2194 122.1049 54.7383 32.8025 174.1692 44 K 4.5565 8.5955 122.7263 55.0621 33.2571 175.5748 45 G 4.5275 8.4599 110.9819 45.4623 0.0000 170.3112 46 K 4.9052 8.8888 120.2675 54.7991 34.9641 176.7676 47 I 4.5829 8.7725 128.0606 59.4942 38.8156 175.5613 48 Q 3.5887 7.4420 116.3021 58.8791 29.1417 177.8485 49 D 4.9516 7.9177 117.2388 54.0352 42.3743 176.2063 50 R 4.7974 7.3853 117.2053 54.7685 33.4561 174.6458 51 I 4.6246 7.6298 118.9211 60.1712 41.5654 175.8718 52 G 3.5326 6.7780 108.9051 44.8380 0.0000 172.2224 53 F 5.1126 7.5139 118.4386 56.8651 41.2855 175.2302 54 F 4.6331 8.1148 113.9618 54.8853 41.5014 171.8093 55 P 2.9700 0.0000 0.0000 62.1687 31.9241 177.1930 56 A 3.9515 7.6262 124.9938 54.7122 18.4859 179.3937 57 N 4.6079 7.8381 111.3530 54.7634 37.7441 175.6309 58 F 4.6494 8.0553 117.3130 58.7235 39.8591 176.1803 59 V 4.6705 7.5433 112.4521 59.7221 33.6613 175.0741 60 Q 4.4800 8.1890 121.3420 54.6187 31.1116 174.1640 61 R 2.5100 8.8235 126.0314 55.9227 30.6575 175.5802 62 L 4.1680 8.0409 127.3065 53.9082 41.3255 177.0242 63 S 3.9869 8.6865 119.3685 61.0498 62.6412 174.6244 64 G 4.0811 7.6016 104.2984 42.7476 0.0000 170.3713 65 P 4.3322 0.0000 0.0000 62.2857 30.1755 176.1262 66 S 4.2297 8.3681 121.0680 58.7780 63.3093 174.2159 67 S 4.5551 8.2872 117.5809 56.9111 65.2224 175.0108 68 G 3.9123 8.7811 109.2911 46.2767 0.0000 173.3819 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 G 8.35 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 2 S 8.65 3.88 0.00 3.92 3.80 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 0.00 0.00 0.00 0.00 3 S 9.03 3.64 0.00 3.99 3.86 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 0.00 0.00 0.00 0.00 4 G 8.08 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 0.00 0.00 0.00 5 S 8.45 4.44 0.00 3.82 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 6 S 7.87 4.53 0.00 3.81 3.80 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 0.00 0.00 0.00 0.00 7 G 8.21 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.83 4.86 0.00 2.80 2.91 0.00 0.00 6.99 7.04 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 9 T 8.41 4.79 4.22 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 1.31 0.00 0.00 10 Y 9.06 5.03 0.00 2.93 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 11 V 8.55 4.95 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 0.99 0.00 0.00 0.96 0.00 0.00 12 A 8.61 4.13 1.25 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 0.00 0.00 0.00 13 L 8.98 3.68 0.00 0.42 0.53 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.12 4.89 0.00 2.34 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 4.56 0.00 1.83 1.77 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.68 7.81 16 F 9.52 5.01 0.00 3.38 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 17 V 7.15 4.55 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 0.82 0.00 0.00 0.91 0.00 0.00 18 P 0.00 4.71 0.00 2.40 2.42 0.00 3.94 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 19 Q 8.88 4.17 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 20 E 8.09 4.87 0.00 2.04 1.81 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 2.25 2.41 0.00 21 N 9.21 4.27 0.00 2.73 2.96 0.00 0.00 6.96 7.69 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 22 E 8.56 4.26 0.00 2.04 2.34 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 2.50 2.42 0.00 23 D 8.56 5.13 0.00 2.93 3.07 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 24 L 8.48 4.86 0.00 1.72 1.80 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.85 4.99 0.00 2.14 1.90 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 2.33 2.68 0.00 26 M 8.60 5.09 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 27 R 8.36 5.04 0.00 1.88 2.05 0.00 2.97 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 0.00 28 P 0.00 5.11 0.00 2.06 2.28 0.00 3.38 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.84 0.00 29 G 8.27 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.86 4.86 0.00 2.76 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 31 I 8.15 4.62 1.86 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 1.33 0.85 0.92 0.00 0.00 32 I 8.85 4.38 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.49 0.73 0.00 0.00 33 T 8.43 4.69 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 1.24 0.00 0.00 34 L 8.31 4.28 0.00 1.49 1.70 0.71 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.75 4.43 0.00 1.58 1.69 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.05 4.68 0.00 2.01 1.83 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 2.29 2.25 0.00 37 D 8.35 4.56 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.22 4.18 0.00 3.88 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 39 N 8.16 4.88 0.00 3.09 2.84 0.00 0.00 6.80 7.59 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 40 E 8.60 4.81 0.00 2.10 2.12 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 2.18 2.27 0.00 41 D 8.24 4.38 0.00 2.82 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 42 W 7.84 4.58 0.00 2.87 3.01 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 43 W 8.22 5.05 0.00 2.86 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 44 K 8.60 4.56 0.00 2.03 1.66 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.26 1.22 7.81 45 G 8.46 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.89 4.91 0.00 1.79 1.62 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 47 I 8.77 4.58 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.89 0.00 0.00 48 Q 7.44 3.59 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.19 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 49 D 7.92 4.95 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 50 R 7.39 4.80 0.00 1.86 1.78 0.00 3.17 0.00 0.00 3.44 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 51 I 7.63 4.62 1.83 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 1.33 0.27 0.89 0.00 0.00 52 G 6.78 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.51 5.11 0.00 3.12 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 54 F 8.11 4.63 0.00 2.57 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 55 P 0.00 2.97 0.00 1.47 0.49 0.00 2.53 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.66 0.00 56 A 7.63 3.95 -0.10 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 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.84 4.61 0.00 2.93 2.96 0.00 0.00 6.17 7.89 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 58 F 8.06 4.65 0.00 3.34 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 59 V 7.54 4.67 2.36 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 0.55 0.00 0.00 1.44 0.00 0.00 60 Q 8.19 4.48 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 61 R 8.82 2.51 0.00 1.62 1.72 0.00 3.17 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.01 0.00 62 L 8.04 4.17 0.00 1.59 1.53 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.69 3.99 0.00 3.77 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 64 G 7.60 4.08 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 0.00 0.00 0.00 65 P 0.00 4.33 0.00 2.17 2.11 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 66 S 8.37 4.23 0.00 3.87 3.84 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 0.00 0.00 0.00 67 S 8.29 4.56 0.00 3.92 3.77 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 0.00 0.00 0.00 68 G 8.78 3.91 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 0.00 0.00 0.00