NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 D 4.5353 8.3493 120.3231 52.8817 41.4542 174.6010 25 H 4.6130 7.9056 117.1555 52.5947 29.3672 173.9833 26 H 4.1415 9.7205 123.2696 58.8612 29.0697 177.9501 27 Y 3.2373 7.1370 118.4111 60.5622 37.2584 178.4564 28 A 4.0716 7.6082 120.6922 54.9015 18.5011 178.7066 29 M 4.3376 8.3268 115.6557 56.5255 32.6509 177.6751 30 W 4.3623 8.5122 119.5880 57.3108 29.4668 177.6874 31 D 4.5382 8.2287 119.7728 56.8038 38.5058 178.6389 32 A 4.0027 8.0037 121.8806 54.4601 18.5408 179.1515 33 A 3.8573 7.9404 118.8668 55.3482 18.5149 179.0807 34 Y 3.9974 7.9520 117.8851 61.0640 38.7767 178.5724 35 V 3.4575 7.7938 117.5808 65.5149 31.7343 177.1853 36 L 4.2693 8.0432 116.9072 54.9594 41.7264 177.7516 37 G 3.7567 7.6175 106.6499 45.5490 0.0000 174.1222 38 A 4.2452 7.7435 120.7103 52.2674 18.9756 178.3117 39 L 4.1737 7.5683 117.0060 53.5739 42.6793 177.6721 40 S 4.3276 8.4480 118.0428 57.9486 64.9481 175.1942 41 A 4.0035 8.5960 123.6432 55.4316 18.1837 179.7649 42 A 3.9974 8.0131 118.4774 55.6790 18.5602 179.4882 43 D 4.6806 8.3614 117.3632 57.4977 40.7860 179.0968 44 R 4.2127 8.6621 119.8620 59.4257 30.1321 178.6328 45 R 3.9424 8.1646 117.8774 59.4373 30.0883 178.4311 46 E 3.9447 8.1251 117.7323 59.8382 29.5835 179.5226 47 F 3.7360 8.5122 120.1236 61.2902 39.2451 177.0488 48 E 3.6948 8.4491 117.4669 58.9933 29.5933 178.9285 49 A 3.9829 7.9571 121.0106 55.3154 18.1441 179.0880 50 H 3.7600 8.0297 117.1340 59.2693 29.6246 177.3595 51 L 3.5756 7.6815 120.8681 57.6043 41.0888 179.3815 52 A 4.1161 7.4762 119.5200 53.8474 18.2426 178.0806 53 G 3.9407 7.4001 105.1945 44.9446 0.0000 173.3338 54 C 4.4686 7.5496 120.3779 55.7668 33.2475 171.7323 55 P 4.2703 0.0000 0.0000 64.9067 30.9020 178.1794 56 E 3.8876 8.0302 118.0176 59.6207 29.7642 178.3309 57 C 4.2011 8.1240 116.2426 62.9408 28.1785 176.2294 58 R 3.9758 8.0679 119.8099 59.2763 29.6493 179.3958 59 G 3.6492 8.2431 105.2472 47.3773 0.0000 175.7254 60 A 4.0162 8.0175 122.6201 55.4250 18.9535 179.8923 61 V 3.8678 8.1221 110.9523 64.7491 31.3971 178.8757 62 T 3.9245 8.0048 115.6546 66.8997 68.1097 176.2820 63 E 3.9970 8.0588 119.0546 59.0426 29.7270 178.6330 64 L 4.4718 7.8125 117.0748 55.4009 41.9927 177.7448 65 C 4.5197 7.7717 113.8086 59.4154 29.4916 174.6696 66 G 3.9234 7.8144 107.7554 45.3117 0.0000 175.8950 67 V 3.6015 8.0282 121.6170 65.6251 31.6913 175.7733 68 P 4.1885 0.0000 0.0000 65.7716 30.9551 178.0149 69 A 4.0072 8.0819 117.4734 55.5382 18.4238 179.2876 70 L 4.1043 7.5567 116.3995 57.9181 41.7695 179.7173 71 L 4.0580 8.3215 119.6284 57.5362 41.3718 179.1799 72 S 4.3442 8.4328 112.5301 60.1377 62.9497 175.4663 73 Q 4.2525 7.7548 120.8784 56.0559 28.9642 175.2699 74 L 4.9405 7.2378 119.5545 52.7931 45.0837 176.1475 75 D 4.8932 9.2444 121.0211 52.8115 43.9627 178.2125 76 R 3.9659 8.4067 118.2586 59.6771 29.2521 178.8281 77 D 4.3348 8.0160 119.0809 57.3154 40.8286 178.3362 78 E 3.9857 8.1075 118.6201 59.2414 29.4301 179.4858 79 V 3.5286 7.8520 118.0634 66.0345 31.6880 177.8811 80 A 3.9533 8.5963 120.5928 55.1076 18.0386 179.5835 81 A 3.9256 7.9839 119.2592 55.3941 18.2912 179.8517 82 I 3.6594 7.7978 117.4255 64.7995 37.2522 178.6278 83 S 4.2776 8.1034 114.9673 61.4932 62.6784 176.2463 84 E 4.1704 8.2633 121.0029 58.3593 29.3296 178.5770 85 S 4.7877 7.6948 112.4953 58.1135 64.7089 174.0110 86 A 4.2387 8.0070 130.4893 53.4801 18.7946 178.0010 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 24 D 8.35 4.54 0.00 2.81 2.86 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 25 H 7.91 4.61 0.00 3.41 3.47 0.00 5.47 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 9.72 4.14 0.00 3.38 3.50 0.00 5.48 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.14 3.24 0.00 2.54 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 28 A 7.61 4.07 1.27 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 0.00 0.00 29 M 8.33 4.34 0.00 2.08 2.43 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.78 0.00 30 W 8.51 4.36 0.00 2.79 2.48 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 31 D 8.23 4.54 0.00 3.03 3.16 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 0.00 0.00 0.00 0.00 32 A 8.00 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.00 0.00 2.92 3.26 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 0.00 35 V 7.79 3.46 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 0.89 0.00 0.00 1.13 0.00 0.00 36 L 8.04 4.27 0.00 1.60 1.66 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.62 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.74 4.25 1.22 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 0.00 0.00 0.00 39 L 7.57 4.17 0.00 1.69 1.69 0.58 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.45 4.33 0.00 4.05 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 0.00 41 A 8.60 4.00 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 42 A 8.01 4.00 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 43 D 8.36 4.68 0.00 2.71 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 44 R 8.66 4.21 0.00 2.10 2.28 0.00 3.22 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.07 0.00 45 R 8.16 3.94 0.00 2.15 2.02 0.00 3.36 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 46 E 8.13 3.94 0.00 2.49 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 0.00 2.48 2.75 0.00 47 F 8.51 3.74 0.00 3.43 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 48 E 8.45 3.69 0.00 1.92 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 2.61 0.00 49 A 7.96 3.98 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.03 3.76 0.00 2.31 2.53 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.68 3.58 0.00 1.48 1.39 0.32 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.48 4.12 1.22 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 0.00 0.00 0.00 53 G 7.40 3.94 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 0.00 0.00 0.00 54 C 7.55 4.47 0.00 2.50 2.50 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 55 P 0.00 4.27 0.00 2.17 2.06 0.00 3.59 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 2.07 2.09 0.00 56 E 8.03 3.89 0.00 2.02 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 0.00 2.40 2.40 0.00 57 C 8.12 4.20 0.00 2.99 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 58 R 8.07 3.98 0.00 1.96 1.95 0.00 3.08 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 59 G 8.24 3.65 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 0.00 0.00 0.00 60 A 8.02 4.02 1.53 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 61 V 8.12 3.87 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.11 0.00 0.00 62 T 8.00 3.92 4.41 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 0.00 0.00 0.00 1.23 0.00 0.00 63 E 8.06 4.00 0.00 2.19 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 0.00 2.37 2.50 0.00 64 L 7.81 4.47 0.00 1.80 1.74 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.77 4.52 0.00 3.14 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.81 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 0.00 0.00 0.00 67 V 8.03 3.60 2.21 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 1.12 0.00 0.00 0.95 0.00 0.00 68 P 0.00 4.19 0.00 2.18 2.08 0.00 3.61 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 69 A 8.08 4.01 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 70 L 7.56 4.10 0.00 1.89 1.72 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.32 4.06 0.00 1.86 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.43 4.34 0.00 3.96 4.12 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 0.00 0.00 0.00 73 Q 7.75 4.25 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 74 L 7.24 4.94 0.00 1.60 1.53 0.92 0.81 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 75 D 9.24 4.89 0.00 2.70 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 76 R 8.41 3.97 0.00 2.02 2.19 0.00 2.96 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 77 D 8.02 4.33 0.00 2.74 2.75 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 78 E 8.11 3.99 0.00 2.16 1.99 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 2.40 2.36 0.00 79 V 7.85 3.53 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 1.07 0.00 0.00 0.95 0.00 0.00 80 A 8.60 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.98 3.93 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 82 I 7.80 3.66 1.98 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 1.52 0.64 0.91 0.00 0.00 83 S 8.10 4.28 0.00 3.83 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 84 E 8.26 4.17 0.00 2.18 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 2.46 0.00 85 S 7.69 4.79 0.00 3.98 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 86 A 8.01 4.24 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