NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 58 S 4.4094 8.3349 115.2825 58.3989 63.4699 173.7379 59 H 4.2293 8.7584 122.4716 57.2301 29.1351 174.1673 60 M 4.5987 7.2560 119.2905 53.3451 34.4148 176.1451 61 S 4.2130 8.7680 117.8931 61.0318 63.4067 173.9043 62 G 4.1899 7.5414 106.8678 43.8612 0.0000 170.7697 63 E 4.7301 8.2140 115.6464 53.9803 32.4671 175.7872 64 K 4.2767 8.4206 119.7660 56.5256 32.9181 177.0128 65 T 4.5311 8.3844 109.5717 61.2174 70.9543 174.2276 66 V 4.7755 7.5564 121.8603 60.6812 34.8343 174.8560 67 V 4.2173 8.5819 128.0467 63.0126 32.5785 175.1300 68 C 4.3075 9.3500 128.9086 58.8566 31.5023 174.3649 69 K 4.2376 8.7253 127.7186 60.4666 32.1505 178.7412 70 H 4.4020 8.0977 117.0390 58.3872 28.6311 177.3475 71 W 3.9990 8.3222 129.8315 60.4255 30.4006 177.6692 72 L 3.3966 7.8794 117.9445 57.2513 41.1522 178.8054 73 R 4.3950 7.3426 113.4442 55.2522 30.4119 176.9088 74 G 3.7601 7.7338 106.9716 46.3423 0.0000 174.3531 75 L 4.4736 8.7151 118.0754 54.1694 42.0104 175.7820 76 C 4.7367 7.9343 119.5796 57.9483 32.7677 173.1672 77 K 4.6777 8.6762 124.3711 56.2917 32.7611 176.9787 78 K 4.2722 8.2622 119.8997 56.2904 33.9426 178.2269 79 G 3.7906 7.9345 108.1062 46.7269 0.0000 176.4219 80 D 4.4015 8.7364 122.9858 56.2903 40.7616 176.7995 81 Q 4.2015 7.8239 116.9908 56.4538 29.1413 175.9357 82 C 4.3230 7.5418 119.0356 59.1168 32.0205 173.3162 83 E 3.9743 8.5401 122.5941 57.4578 29.8466 176.4442 84 F 4.9852 7.5208 117.4886 55.1277 41.6734 175.1814 85 L 3.9783 8.9431 123.6933 55.6336 42.2076 177.9545 86 H 3.3729 7.9907 122.9638 52.7749 27.5363 173.8975 87 E 4.4308 6.5760 118.0823 54.9663 32.8392 173.8081 88 Y 4.3322 8.9445 127.1530 57.0411 38.5750 174.4946 89 D 4.5356 7.8350 127.8989 51.8811 42.1496 175.6930 90 M 3.6220 8.1499 125.0068 57.7864 31.0597 177.6032 91 T 4.2605 7.8408 107.5867 62.0930 69.6005 175.0822 92 K 4.6098 8.0596 122.8694 56.4634 33.1087 175.6962 93 M 4.7224 7.9244 117.8037 54.7971 33.1509 176.4273 94 S 4.5504 8.7497 116.1965 57.9009 65.1080 172.6368 95 E 4.5798 8.6188 121.4321 55.9477 30.5667 175.7997 96 C 4.2991 9.2232 127.6328 59.3009 32.2363 173.5105 97 Y 3.9086 8.7683 128.3848 60.9231 38.3578 178.1021 98 F 4.4093 8.2055 118.1809 60.7623 39.1821 176.9084 99 Y 4.2715 8.2454 118.7841 60.7059 38.3923 178.2188 100 S 4.0499 7.8754 115.1202 61.5600 63.0950 176.3864 101 K 3.8039 7.6999 119.6716 57.8732 31.7029 178.3409 102 F 4.6686 8.6552 116.1057 55.9929 39.7166 176.9039 103 G 3.9098 8.2348 106.5217 45.4371 0.0000 173.0975 104 E 4.7209 7.3840 114.9236 55.3691 32.4644 174.2251 105 C 4.7811 8.3478 119.2606 58.2609 34.4771 174.2577 106 S 4.2051 8.6579 122.3353 59.9899 63.1527 173.6072 107 N 4.6512 7.9827 120.0578 52.0640 38.4567 175.4881 108 K 4.0770 8.7511 126.4168 58.8809 32.3214 177.7749 109 E 4.6007 8.1694 117.1950 55.6976 29.8157 175.5071 110 C 4.0651 7.8577 119.8837 59.6948 31.7029 171.7466 111 P 4.5237 0.0000 0.0000 62.8443 31.7054 175.6540 112 F 4.7576 7.5739 117.6515 56.1013 40.4882 175.3834 113 L 4.0474 8.7576 123.7009 55.4672 41.7326 176.7090 114 H 4.5438 8.3711 121.4885 54.1731 27.8331 173.7708 115 I 4.2866 7.9531 123.9151 60.2559 38.3349 174.9973 116 D 5.1541 8.3173 122.2230 51.7676 44.5796 174.3224 117 P 4.4554 0.0000 0.0000 63.0300 31.4487 176.6428 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 58 S 8.33 4.41 0.00 3.83 3.81 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 0.00 0.00 0.00 59 H 8.76 4.23 0.00 3.27 3.33 0.00 5.74 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 7.26 4.60 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 61 S 8.77 4.21 0.00 3.96 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 62 G 7.54 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 4.73 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 64 K 8.42 4.28 0.00 1.74 1.77 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.36 7.81 65 T 8.38 4.53 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 1.22 0.00 0.00 66 V 7.56 4.78 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 1.11 0.00 0.00 1.07 0.00 0.00 67 V 8.58 4.22 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 1.06 0.00 0.00 1.02 0.00 0.00 68 C 9.35 4.31 0.00 3.34 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 69 K 8.73 4.24 0.00 2.15 2.20 0.00 1.35 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.30 7.81 70 H 8.10 4.40 0.00 3.32 3.33 0.00 5.64 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 71 W 8.32 4.00 0.00 3.21 3.44 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 72 L 7.88 3.40 0.00 1.92 1.68 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.34 4.39 0.00 1.83 1.94 0.00 3.29 0.00 0.00 3.27 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 74 G 7.73 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 75 L 8.72 4.47 0.00 1.71 1.68 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 76 C 7.93 4.74 0.00 3.22 3.05 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 77 K 8.68 4.68 0.00 1.78 1.80 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.38 7.81 78 K 8.26 4.27 0.00 1.90 1.88 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.51 7.81 79 G 7.93 3.79 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 0.00 0.00 0.00 80 D 8.74 4.40 0.00 2.65 2.69 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 81 Q 7.82 4.20 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 82 C 7.54 4.32 0.00 2.99 2.69 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 83 E 8.54 3.97 0.00 1.60 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 2.05 1.47 0.00 84 F 7.52 4.99 0.00 3.11 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 85 L 8.94 3.98 0.00 1.69 1.52 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 H 7.99 3.37 0.00 2.55 2.00 0.00 5.75 0.00 0.00 0.00 0.00 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 6.58 4.43 0.00 1.77 1.64 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 2.22 2.34 0.00 88 Y 8.94 4.33 0.00 3.16 3.05 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 89 D 7.83 4.54 0.00 2.57 2.37 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 90 M 8.15 3.62 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 91 T 7.84 4.26 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 1.18 0.00 0.00 92 K 8.06 4.61 0.00 1.71 1.94 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.32 7.81 93 M 7.92 4.72 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 94 S 8.75 4.55 0.00 3.93 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 95 E 8.62 4.58 0.00 2.07 1.94 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 2.38 2.47 0.00 96 C 9.22 4.30 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.77 3.91 0.00 2.91 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 98 F 8.21 4.41 0.00 3.29 3.20 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 99 Y 8.25 4.27 0.00 3.01 3.02 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 0.00 100 S 7.88 4.05 0.00 3.86 3.79 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 0.00 101 K 7.70 3.80 0.00 1.15 1.07 0.00 1.32 0.00 0.00 1.33 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.47 0.25 7.81 102 F 8.66 4.67 0.00 3.22 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 0.00 103 G 8.23 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 0.00 104 E 7.38 4.72 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 105 C 8.35 4.78 0.00 3.11 2.96 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 0.00 106 S 8.66 4.21 0.00 3.81 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 0.00 107 N 7.98 4.65 0.00 2.83 2.79 0.00 0.00 7.22 6.38 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 0.00 108 K 8.75 4.08 0.00 1.79 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 109 E 8.17 4.60 0.00 2.03 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 0.00 2.23 2.24 0.00 110 C 7.86 4.07 0.00 3.19 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.52 0.00 2.02 2.04 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.69 0.00 112 F 7.57 4.76 0.00 3.20 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 0.00 113 L 8.76 4.05 0.00 1.79 1.63 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 114 H 8.37 4.54 0.00 2.64 1.66 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 7.95 4.29 2.12 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.83 0.96 0.00 0.00 116 D 8.32 5.15 0.00 2.70 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 0.00 117 P 0.00 4.46 0.00 2.05 1.95 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00