NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 S 4.4249 8.1933 115.4097 57.9346 65.1029 174.0963 35 S 4.1864 7.5890 117.1862 57.9453 63.2917 174.6809 36 G 3.7432 7.8629 112.1712 47.9175 0.0000 176.4258 37 R 3.9677 7.6350 115.6973 58.7908 29.9215 177.5517 38 F 5.0306 8.2193 116.5327 57.5955 40.1945 176.6660 39 G 3.6912 7.3837 109.6497 47.2238 0.0000 174.1747 40 A 4.5090 8.6062 127.1841 51.9576 18.9411 177.0744 41 R 4.1064 7.3930 117.9611 57.0204 31.7591 176.5323 42 Y 3.9912 8.2461 117.5761 57.3403 36.9613 171.6352 43 G 4.0736 8.0234 102.7251 45.2205 0.0000 172.9698 44 R 3.4929 8.0432 112.4905 59.6223 30.8397 178.9321 45 V 3.5621 8.3357 118.2794 66.9840 31.8411 177.7489 46 S 4.0997 8.1841 114.1464 61.8610 62.2675 176.5190 47 R 4.3620 8.0491 117.1818 57.9141 29.7067 178.6039 48 R 3.9607 8.2495 120.9279 59.7146 30.1947 178.4143 49 R 3.9699 8.2229 118.0623 59.1431 29.9240 179.2659 50 V 3.5358 7.6562 117.8505 65.8007 31.4808 178.0062 51 A 4.0612 7.6563 120.9629 54.5268 18.2159 179.5775 52 E 3.8939 8.0840 116.6322 59.7289 29.1143 179.5536 53 I 3.7189 8.0134 120.1691 64.3463 37.0527 177.8526 54 E 4.2706 8.3970 117.9785 57.6088 29.2272 178.8943 55 S 4.1522 7.7025 113.8471 61.3193 62.5056 175.5232 56 E 4.3851 8.1467 119.7881 58.7202 29.4032 177.8125 57 M 4.7694 7.4734 118.2350 57.8825 32.5620 177.0192 58 N 4.7158 7.8783 114.3545 53.3221 39.3246 175.4807 59 E 4.1106 7.1063 119.8920 56.1583 30.1772 176.2036 60 D 4.5517 8.4314 121.2811 54.7529 41.6190 175.4722 61 H 5.0389 8.7312 120.2077 53.5849 31.9255 173.6521 62 A 4.2965 8.6183 124.3413 51.8576 17.3997 176.8340 63 C 4.2277 9.3483 124.5462 59.5695 31.9917 173.2522 64 P 4.2789 0.0000 0.0000 65.3328 30.6016 176.5621 65 N 4.1361 6.6474 115.6781 55.1538 40.2092 177.7278 66 C 4.7790 7.4925 123.6586 58.3676 29.0163 174.9930 67 G 4.1989 8.4620 103.9510 45.5244 0.0000 171.8614 68 E 4.1550 8.1218 120.4545 55.9495 30.8298 176.4280 69 D 5.3585 8.1392 123.5783 52.2319 39.0066 176.4103 70 R 4.8135 7.6121 119.1623 55.8579 32.4659 175.3044 71 V 4.9959 8.2501 118.6155 61.6850 33.2076 174.4848 72 D 5.3150 9.0885 126.9957 52.2584 44.7670 175.4257 73 R 3.3998 8.5455 122.0072 56.1207 30.6150 176.2534 74 Q 4.2642 8.4563 124.7122 57.0173 30.1057 176.0176 75 G 3.7248 6.5804 104.8509 45.9474 0.0000 172.5499 76 T 3.8293 8.5161 120.7537 64.4932 68.1039 174.8375 77 G 4.3983 8.6187 115.0447 46.0714 0.0000 171.1694 78 I 4.7043 6.7881 119.9951 59.0704 39.6305 174.8911 79 W 5.0641 8.5776 125.9366 55.1176 33.5972 174.1181 80 Q 5.7706 8.8417 121.3036 55.8193 32.7598 172.8456 81 C 5.2060 9.0898 127.1120 58.8320 32.1074 174.0610 82 S 3.9162 9.2903 122.8859 61.1450 62.5197 174.6211 83 Y 4.4375 8.4886 122.5536 58.7631 38.8879 174.8061 84 C 4.1775 8.0149 112.0734 57.5965 30.6794 174.5837 85 D 4.7718 8.5652 119.0458 55.0838 38.7135 172.9387 86 Y 4.3874 7.6128 121.3861 58.1645 39.4695 174.5445 87 K 5.0628 8.5227 129.0947 55.1725 33.5150 175.3519 88 F 4.9620 9.1580 121.8805 55.7786 41.9590 173.0161 89 T 4.7302 8.5655 109.6386 61.4434 69.8949 174.7993 90 G 3.9826 7.9311 110.2528 45.7383 0.0000 171.8164 91 G 4.0444 8.1846 110.3911 45.1349 0.0000 174.7689 92 S 4.0135 8.4323 114.5566 60.7553 62.6804 175.2122 93 Y 5.0125 7.7522 115.3455 57.3726 40.4157 175.2617 94 K 4.5506 7.9402 118.8386 53.6399 34.4023 175.0922 95 P 2.9700 0.0000 0.0000 63.5800 31.6606 175.8184 96 E 4.7661 7.3948 118.5390 54.9929 33.5071 174.6459 97 T 4.5886 8.1709 113.2496 59.3465 71.0900 173.7402 98 P 4.3676 0.0000 0.0000 65.8774 31.3985 178.9248 99 G 3.8377 8.1217 104.1520 47.3804 0.0000 176.0005 100 G 3.6365 8.0881 108.1328 47.5984 0.0000 175.9182 101 K 4.1032 7.8063 118.9963 58.9481 31.8597 179.1722 102 T 4.0880 7.6124 116.7605 66.0081 68.1512 176.7239 103 V 3.4792 7.2494 119.5951 66.1699 31.5427 177.1930 104 R 3.9974 8.1052 115.2814 59.7346 29.5109 178.0188 105 R 3.6571 6.8469 113.5104 60.3254 30.7428 176.8333 106 S 4.2945 7.7993 117.4820 58.7303 63.0434 174.1708 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 34 S 8.19 4.42 0.00 3.98 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.59 4.19 0.00 4.04 4.05 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 36 G 7.86 3.74 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 0.00 0.00 0.00 37 R 7.64 3.97 0.00 1.84 1.95 0.00 2.78 0.00 0.00 2.99 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.86 0.00 38 F 8.22 5.03 0.00 3.46 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 39 G 7.38 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 40 A 8.61 4.51 1.24 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 0.00 0.00 0.00 41 R 7.39 4.11 0.00 1.08 0.66 0.00 2.77 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.33 0.00 42 Y 8.25 3.99 0.00 3.03 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 43 G 8.02 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 0.00 0.00 0.00 44 R 8.04 3.49 0.00 1.90 1.85 0.00 3.18 0.00 0.00 3.27 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 45 V 8.34 3.56 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 1.15 0.00 0.00 0.94 0.00 0.00 46 S 8.18 4.10 0.00 4.17 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 47 R 8.05 4.36 0.00 2.42 2.47 0.00 2.98 0.00 0.00 3.47 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.75 0.00 48 R 8.25 3.96 0.00 1.98 2.19 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 49 R 8.22 3.97 0.00 1.94 1.94 0.00 3.17 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 50 V 7.66 3.54 2.27 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 1.23 0.00 0.00 1.04 0.00 0.00 51 A 7.66 4.06 1.44 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 0.00 0.00 52 E 8.08 3.89 0.00 2.20 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 0.00 2.34 2.59 0.00 53 I 8.01 3.72 1.77 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 1.46 1.11 0.44 0.00 0.00 54 E 8.40 4.27 0.00 2.07 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 2.28 2.39 0.00 55 S 7.70 4.15 0.00 4.09 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 0.00 56 E 8.15 4.39 0.00 2.06 2.04 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 2.40 2.56 0.00 57 M 7.47 4.77 0.00 2.35 2.45 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.58 0.00 58 N 7.88 4.72 0.00 2.73 2.88 0.00 0.00 7.07 7.53 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 59 E 7.11 4.11 0.00 1.87 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 2.35 2.62 0.00 60 D 8.43 4.55 0.00 2.54 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.73 5.04 0.00 3.13 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.62 4.30 1.24 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 0.00 0.00 0.00 63 C 9.35 4.23 0.00 3.11 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 64 P 0.00 4.28 0.00 1.87 1.95 0.00 3.47 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.91 0.00 65 N 6.65 4.14 0.00 2.24 2.61 0.00 0.00 7.20 7.53 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 66 C 7.49 4.78 0.00 3.25 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 67 G 8.46 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.12 4.15 0.00 1.82 1.75 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 1.81 2.16 0.00 69 D 8.14 5.36 0.00 2.55 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.61 4.81 0.00 1.80 1.96 0.00 3.04 0.00 0.00 3.50 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 71 V 8.25 5.00 2.32 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 1.20 0.00 0.00 1.21 0.00 0.00 72 D 9.09 5.31 0.00 2.66 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 73 R 8.55 3.40 0.00 0.82 1.44 0.00 2.91 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 74 Q 8.46 4.26 0.00 1.78 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 75 G 6.58 3.72 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 0.00 0.00 0.00 76 T 8.52 3.83 4.14 0.00 0.00 0.00 0.00 0.00 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 77 G 8.62 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 6.79 4.70 1.69 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.02 0.75 0.00 0.00 79 W 8.58 5.06 0.00 1.86 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 80 Q 8.84 5.77 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 81 C 9.09 5.21 0.00 3.31 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 82 S 9.29 3.92 0.00 3.97 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 83 Y 8.49 4.44 0.00 2.90 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.01 4.18 0.00 3.06 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 85 D 8.57 4.77 0.00 2.89 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 86 Y 7.61 4.39 0.00 2.86 2.99 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 87 K 8.52 5.06 0.00 1.81 1.67 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.39 7.81 88 F 9.16 4.96 0.00 2.95 2.27 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 89 T 8.57 4.73 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 1.21 0.00 0.00 90 G 7.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.18 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 92 S 8.43 4.01 0.00 3.16 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.75 5.01 0.00 3.18 3.03 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 94 K 7.94 4.55 0.00 1.78 1.54 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.49 7.81 95 P 0.00 2.97 0.00 1.71 0.62 0.00 3.05 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 96 E 7.39 4.77 0.00 1.81 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 2.23 0.00 97 T 8.17 4.59 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 98 P 0.00 4.37 0.00 2.05 2.17 0.00 3.68 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 2.04 2.17 0.00 99 G 8.12 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 0.00 0.00 0.00 100 G 8.09 3.64 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 0.00 0.00 0.00 101 K 7.81 4.10 0.00 1.91 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.65 7.81 102 T 7.61 4.09 4.42 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 1.21 0.00 0.00 103 V 7.25 3.48 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 0.84 0.00 0.00 1.01 0.00 0.00 104 R 8.11 4.00 0.00 1.83 1.99 0.00 3.30 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 105 R 6.85 3.66 0.00 1.90 1.93 0.00 3.16 0.00 0.00 3.27 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 106 S 7.80 4.29 0.00 3.98 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