NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3690 0.0000 0.0000 62.3155 32.9775 175.3321 4 R 4.3747 8.1174 120.5438 53.6420 31.8815 174.6807 5 P 4.2005 0.0000 0.0000 66.0053 32.3492 178.4473 6 L 3.8668 7.8025 116.2244 57.1298 41.6864 178.8694 7 D 4.4606 8.1465 119.3869 56.8516 40.5592 178.7768 8 V 3.6273 7.2630 118.1512 65.7783 31.7759 177.7707 9 L 3.9983 7.5350 118.4452 57.4551 41.3864 178.6832 10 N 4.5506 7.9552 117.2821 56.7417 38.8277 176.6081 11 R 4.2537 7.7271 113.4696 57.5133 29.9625 177.4025 12 S 4.6405 7.7423 115.7058 57.3741 63.4774 173.6860 13 L 4.3801 7.3116 123.0532 56.1304 41.7471 177.9083 14 K 4.0327 9.1103 121.4440 56.7086 31.0796 176.2231 15 S 4.9459 7.6502 115.6564 56.1815 65.2626 171.9014 16 P 4.9668 0.0000 0.0000 63.3040 32.1181 175.6847 17 V 4.7535 8.9612 114.2282 60.4299 37.0641 173.2977 18 I 4.8029 9.1445 122.9858 59.6219 39.9754 175.0538 19 V 4.6069 8.8972 127.0414 61.1032 34.0250 174.0921 20 R 4.4795 8.0203 129.3336 55.3311 31.1173 175.4303 21 L 5.1059 8.9554 125.8463 52.4228 45.4065 175.9473 22 K 4.1565 8.4452 120.0066 57.9732 32.3441 178.0042 23 G 3.8309 8.7401 110.6240 45.0294 0.0000 174.2469 24 G 3.8398 7.4460 105.9681 45.5132 0.0000 173.9741 25 R 4.3010 7.4640 119.9045 55.7062 31.8055 174.9400 26 E 5.2432 8.7349 122.8632 54.7168 34.6351 174.4487 27 F 5.2241 9.1394 119.0240 55.9080 43.1944 174.2135 28 R 4.9646 8.8195 122.5272 55.2323 32.7045 175.1691 29 G 4.4992 8.3152 111.1101 46.4693 0.0000 170.6882 30 T 4.9825 8.0950 117.0661 61.8368 70.4215 174.4908 31 L 4.4272 8.6303 129.5957 55.5610 42.4232 176.4209 32 D 5.0280 9.0535 126.2665 54.6753 43.5568 175.5049 33 G 4.1057 7.5219 103.5244 46.0790 0.0000 171.3758 34 Y 5.7576 7.7718 117.0991 57.8731 40.5460 172.1285 35 D 4.7806 8.1371 117.5390 51.9651 42.5053 175.2819 36 I 3.6877 8.6780 111.6048 64.9918 36.8351 176.9245 37 H 4.3105 8.0256 116.6874 56.2150 28.7484 175.2338 38 M 2.9602 8.3195 118.9544 56.5052 30.8698 175.6492 39 N 4.9444 8.4248 113.8684 52.8601 40.0954 174.5392 40 L 5.4038 8.9955 121.5507 52.9623 46.5744 175.5296 41 V 4.7603 8.5463 119.6430 61.2623 34.6104 174.2686 42 L 5.3109 8.6175 127.0344 52.9721 45.4924 175.6037 43 L 4.8913 8.5727 121.5850 53.1018 45.0137 176.1269 44 D 4.7163 8.2289 118.7021 55.2676 38.5942 173.6228 45 A 5.1072 7.9695 123.5255 50.4842 22.6328 176.9329 46 E 4.8035 9.8288 121.3478 54.5103 32.1487 174.9573 47 E 3.7466 8.8674 126.8325 55.3958 30.7652 174.9827 48 I 4.7640 8.0648 128.3429 59.6449 40.0930 175.1154 49 Q 4.1854 8.2348 126.9130 54.2747 31.0542 173.9999 50 N 4.0359 9.7639 127.8419 54.5751 37.5296 174.1257 51 G 4.3614 8.6073 109.8841 45.4745 0.0000 174.4138 52 E 4.1081 7.6843 118.2891 55.1627 30.5484 175.8321 53 V 4.1949 8.1037 121.7599 62.4869 32.2208 176.0628 54 V 3.6832 8.6916 128.6736 65.4917 31.8028 175.4524 55 R 4.5092 6.9980 113.4250 55.7635 32.0919 173.2906 56 K 5.2423 8.7005 117.7704 54.7910 35.8895 176.4360 57 V 4.4906 8.6247 115.9217 59.4739 35.7682 177.0274 58 G 3.7962 8.8404 110.8255 49.2838 0.0000 173.3575 59 S 5.3638 7.8122 112.3124 57.1448 66.4333 174.0493 60 V 4.3871 8.4853 119.1348 60.5575 34.8394 172.9087 61 V 4.5935 8.3041 123.9275 61.3612 33.0408 174.5195 62 I 4.4677 8.3763 129.0072 59.2729 39.9904 175.4435 63 R 4.4358 8.6146 126.3644 55.7127 30.8506 177.4599 64 G 4.1263 9.5106 112.8207 47.5421 0.0000 174.7513 65 D 4.3323 8.3049 118.3548 57.3311 41.3196 177.2056 66 T 4.1704 8.0136 107.0476 62.1496 69.3712 174.2054 67 V 4.0660 7.4967 123.8054 62.8649 32.1127 175.3322 68 V 4.1330 8.6513 128.4962 64.8065 32.2961 175.3848 69 F 4.8974 7.0550 112.6054 56.3136 40.9440 172.4616 70 V 5.2688 8.6221 118.4494 61.3302 34.4079 174.5134 71 S 4.7271 9.3575 121.2255 56.2601 66.6970 173.2812 72 P 4.5956 0.0000 0.0000 64.9754 30.9577 175.4494 73 A 4.5715 8.4892 117.6688 52.7451 20.4385 174.9615 74 P 4.4233 0.0000 0.0000 64.2803 31.2234 176.3954 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 P 0.00 4.37 0.00 2.05 2.04 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 4 R 8.12 4.37 0.00 2.29 1.78 0.00 3.20 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 5 P 0.00 4.20 0.00 2.11 2.09 0.00 3.58 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 6 L 7.80 3.87 0.00 1.67 1.67 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.15 4.46 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.26 3.63 2.22 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 0.80 0.00 0.00 0.94 0.00 0.00 9 L 7.53 4.00 0.00 1.24 0.94 0.35 0.48 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 10 N 7.96 4.55 0.00 3.07 3.01 0.00 0.00 6.97 7.67 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 11 R 7.73 4.25 0.00 2.06 2.05 0.00 3.10 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 12 S 7.74 4.64 0.00 4.14 3.92 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 13 L 7.31 4.38 0.00 1.76 1.65 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.11 4.03 0.00 1.88 2.01 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.45 7.81 15 S 7.65 4.95 0.00 4.00 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 16 P 0.00 4.97 0.00 2.10 2.07 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 17 V 8.96 4.75 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 0.94 0.00 0.00 1.02 0.00 0.00 18 I 9.14 4.80 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.83 0.99 0.00 0.00 19 V 8.90 4.61 2.14 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 1.05 0.00 0.00 0.95 0.00 0.00 20 R 8.02 4.48 0.00 1.32 0.66 0.00 3.05 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.30 0.00 21 L 8.96 5.11 0.00 1.56 1.67 1.10 0.91 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 22 K 8.45 4.16 0.00 1.75 1.73 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.38 7.81 23 G 8.74 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 24 G 7.45 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 25 R 7.46 4.30 0.00 1.86 1.74 0.00 3.09 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 26 E 8.73 5.24 0.00 1.84 1.70 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 2.24 2.15 0.00 27 F 9.14 5.22 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.82 4.96 0.00 1.76 1.86 0.00 3.16 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 29 G 8.32 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.10 4.98 4.25 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 1.26 0.00 0.00 31 L 8.63 4.43 0.00 1.84 1.75 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.05 5.03 0.00 2.62 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 33 G 7.52 4.11 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 0.00 0.00 0.00 34 Y 7.77 5.76 0.00 2.95 2.94 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 35 D 8.14 4.78 0.00 2.87 2.78 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 36 I 8.68 3.69 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.12 0.90 0.00 0.00 37 H 8.03 4.31 0.00 3.38 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.32 2.96 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 39 N 8.42 4.94 0.00 2.98 2.72 0.00 0.00 6.83 6.86 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 40 L 9.00 5.40 0.00 1.49 1.53 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.55 4.76 2.16 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 0.86 0.00 0.00 0.90 0.00 0.00 42 L 8.62 5.31 0.00 1.47 1.46 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.57 4.89 0.00 1.57 1.54 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.23 4.72 0.00 2.71 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.97 5.11 1.38 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 0.00 0.00 46 E 9.83 4.80 0.00 1.77 1.85 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 2.25 2.25 0.00 47 E 8.87 3.75 0.00 1.61 1.77 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 1.96 1.50 0.00 48 I 8.06 4.76 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.39 0.86 0.00 0.00 49 Q 8.23 4.19 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 50 N 9.76 4.04 0.00 2.83 2.81 0.00 0.00 7.45 7.98 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 51 G 8.61 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 0.00 0.00 0.00 0.00 52 E 7.68 4.11 0.00 2.14 2.07 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 2.46 2.26 0.00 53 V 8.10 4.19 2.06 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 0.80 0.00 0.00 0.91 0.00 0.00 54 V 8.69 3.68 1.98 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 0.80 0.00 0.00 0.85 0.00 0.00 55 R 7.00 4.51 0.00 1.88 1.97 0.00 3.03 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 56 K 8.70 5.24 0.00 1.63 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.44 7.81 57 V 8.62 4.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.04 0.00 0.00 58 G 8.84 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 0.00 0.00 0.00 59 S 7.81 5.36 0.00 3.80 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 60 V 8.49 4.39 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 0.15 0.00 0.00 0.57 0.00 0.00 61 V 8.30 4.59 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 0.79 0.00 0.00 0.89 0.00 0.00 62 I 8.38 4.47 1.77 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.32 0.88 0.00 0.00 63 R 8.61 4.44 0.00 1.84 1.86 0.00 3.31 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 64 G 9.51 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.33 0.00 2.64 2.73 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 66 T 8.01 4.17 4.25 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 1.22 0.00 0.00 67 V 7.50 4.07 2.24 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 0.73 0.00 0.00 0.92 0.00 0.00 68 V 8.65 4.13 1.98 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 1.03 0.00 0.00 0.93 0.00 0.00 69 F 7.05 4.90 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.62 5.27 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 0.93 0.00 0.00 0.95 0.00 0.00 71 S 9.36 4.73 0.00 3.89 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 0.00 72 P 0.00 4.60 0.00 2.07 2.12 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 73 A 8.49 4.57 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 74 P 0.00 4.42 0.00 2.06 2.00 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00