NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37 G 3.8787 8.3393 109.7361 44.0361 0.0000 173.9495 38 P 4.5058 0.0000 0.0000 60.7122 32.8830 174.5047 39 H 5.0342 8.4807 123.3935 55.9819 31.7009 175.2511 40 M 4.2113 7.9650 115.5314 56.8402 32.1802 177.9041 41 I 3.8238 7.7464 114.7179 62.5719 37.3580 177.6081 42 S 4.1105 8.1354 116.9449 62.3076 62.6790 175.8398 43 R 3.9646 8.0420 123.2698 55.4785 30.1909 178.9249 44 V 3.0174 7.8555 108.3103 65.3542 32.0585 177.8762 45 N 3.9709 9.8845 118.2623 56.5248 39.1256 176.7257 46 G 4.3329 8.7097 104.8848 46.6192 0.0000 173.8527 47 I 4.4630 8.4974 113.6598 60.7689 37.8878 177.2375 48 R 3.9492 8.0607 121.3316 59.8368 30.6043 178.0184 49 A 4.5926 7.7033 119.4501 52.6452 16.8315 175.5859 50 H 4.6656 7.7138 121.2016 56.5763 31.8743 176.9257 51 R 3.9205 8.0126 118.2943 60.1043 29.6241 177.1173 52 N 4.4287 8.1176 116.6073 55.0185 38.1186 176.9805 53 R 3.9293 7.9057 122.6381 60.6307 30.7698 177.8889 54 I 3.6521 8.3614 119.5611 62.8567 36.5851 177.9636 55 L 3.5870 9.3645 125.2012 58.1105 42.0700 179.4565 56 L 4.0982 9.2145 119.5008 58.6190 42.2207 177.7818 57 E 3.9329 8.8560 119.3781 57.7330 30.0616 176.5867 58 Q 4.1497 8.1420 122.7557 54.9904 29.3651 176.6737 59 A 4.6859 7.0518 113.6400 52.7414 20.7958 177.0043 60 A 4.4847 7.7741 122.9533 54.6085 21.6176 178.1168 61 I 4.2704 7.3756 112.5045 61.6425 37.3578 177.0615 62 T 4.0920 7.7966 108.9139 62.4281 68.9233 175.8149 63 T 4.3118 7.3486 118.1681 61.7022 65.6761 174.2740 64 T 4.2751 7.6238 120.5458 64.1525 70.4597 173.6798 65 P 5.1264 0.0000 0.0000 62.6726 33.4331 174.0079 66 R 4.5441 8.2260 120.9920 56.5718 28.3610 174.7837 67 N 4.8430 8.5696 117.6136 51.2060 39.0316 173.6221 68 N 4.2710 8.8994 125.4562 51.5546 40.3737 173.4887 69 L 3.3468 8.6232 118.9822 55.2628 38.3654 172.8777 70 N 4.2049 8.0601 120.3687 53.4387 37.2841 171.6501 71 P 4.8207 0.0000 0.0000 62.9519 31.3083 174.6777 72 R 4.6224 8.1955 117.6970 54.4674 33.4048 174.2480 73 S 4.4022 8.7857 113.2083 56.8743 64.0547 173.4015 74 W 4.4707 7.9398 127.4032 56.3456 26.8535 173.4627 75 P 4.8209 0.0000 0.0000 62.0600 29.2844 177.5386 76 A 4.0492 8.7058 118.2696 53.1543 17.9421 178.2469 77 A 4.1661 8.7942 123.7500 55.1798 18.9916 178.9015 78 L 4.4684 7.5237 114.4597 54.8724 41.9104 177.0441 79 V 3.9068 7.8048 113.2784 61.1509 33.8975 173.1504 80 Y 4.2915 7.7719 123.5593 60.9091 38.0324 177.7833 81 Q 4.2744 9.2568 117.1895 55.9022 28.1529 172.5721 82 E 4.6093 7.4538 118.3025 54.8545 30.9122 174.3231 83 S 4.7849 9.6457 113.4421 57.6948 60.0977 167.6000 84 P 4.4583 0.0000 0.0000 61.4271 30.1548 174.7866 85 A 4.5123 8.5374 127.6944 50.8213 21.3627 177.2713 86 P 3.9533 0.0000 0.0000 64.1572 27.5370 175.6404 87 T 4.3825 7.5383 117.0027 62.9941 70.6192 174.6268 88 T 3.4626 8.8841 115.5126 65.6056 67.3124 172.6759 89 V 3.5426 8.5724 115.1527 59.4949 33.0550 176.5146 90 V 4.0270 7.9563 114.5231 61.9824 32.4845 174.8203 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 37 G 8.34 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.28 2.08 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 39 H 8.48 5.03 0.00 3.00 3.25 0.00 5.91 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 7.96 4.21 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 41 I 7.75 3.82 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.73 0.91 0.00 0.00 42 S 8.14 4.11 0.00 4.16 4.29 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 43 R 8.04 3.96 0.00 1.74 1.96 0.00 3.29 0.00 0.00 3.13 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 44 V 7.86 3.02 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 0.93 0.00 0.00 0.92 0.00 0.00 45 N 9.88 3.97 0.00 2.98 2.87 0.00 0.00 6.71 7.63 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 46 G 8.71 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.50 4.46 1.83 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 1.27 1.01 0.80 0.00 0.00 48 R 8.06 3.95 0.00 1.92 2.02 0.00 3.30 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.73 0.00 49 A 7.70 4.59 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 50 H 7.71 4.67 0.00 3.28 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.01 3.92 0.00 1.89 1.94 0.00 3.18 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 52 N 8.12 4.43 0.00 2.85 2.72 0.00 0.00 6.87 7.54 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 53 R 7.91 3.93 0.00 1.74 2.03 0.00 3.18 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 54 I 8.36 3.65 2.26 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.93 0.00 0.00 55 L 9.36 3.59 0.00 1.69 1.76 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 56 L 9.21 4.10 0.00 1.81 1.80 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.86 3.93 0.00 2.19 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 2.32 2.35 0.00 58 Q 8.14 4.15 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.49 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 59 A 7.05 4.69 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 60 A 7.77 4.48 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 61 I 7.38 4.27 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 1.46 0.74 0.90 0.00 0.00 62 T 7.80 4.09 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 63 T 7.35 4.31 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 64 T 7.62 4.28 4.21 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 1.17 0.00 0.00 65 P 0.00 5.13 0.00 2.09 1.86 0.00 3.91 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 1.84 1.86 0.00 66 R 8.23 4.54 0.00 1.97 1.82 0.00 3.15 0.00 0.00 3.26 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.29 0.00 67 N 8.57 4.84 0.00 2.81 2.86 0.00 0.00 5.82 8.04 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 68 N 8.90 4.27 0.00 2.80 2.92 0.00 0.00 6.34 7.79 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 69 L 8.62 3.35 0.00 1.83 1.78 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.06 4.20 0.00 2.86 2.92 0.00 0.00 7.32 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 71 P 0.00 4.82 0.00 2.22 1.91 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 72 R 8.20 4.62 0.00 1.85 2.03 0.00 3.33 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 73 S 8.79 4.40 0.00 4.07 3.82 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 74 W 7.94 4.47 0.00 3.45 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.82 0.00 2.02 1.38 0.00 3.48 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.95 0.00 76 A 8.71 4.05 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 77 A 8.79 4.17 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.52 4.47 0.00 1.81 1.73 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.80 3.91 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 0.56 0.00 0.00 0.91 0.00 0.00 80 Y 7.77 4.29 0.00 2.96 2.89 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 0.00 0.00 0.00 0.00 81 Q 9.26 4.27 0.00 2.21 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 82 E 7.45 4.61 0.00 1.89 1.12 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 2.20 2.31 0.00 83 S 9.65 4.78 0.00 3.86 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 84 P 0.00 4.46 0.00 2.21 2.09 0.00 3.52 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 85 A 8.54 4.51 1.26 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 0.00 0.00 86 P 0.00 3.95 0.00 2.09 2.08 0.00 3.67 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 2.01 2.16 0.00 87 T 7.54 4.38 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 88 T 8.88 3.46 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 89 V 8.57 3.54 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 0.97 0.00 0.00 90 V 7.96 4.03 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 0.67 0.00 0.00 0.93 0.00 0.00