NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2114 8.1701 117.3741 63.2284 69.8200 173.4677 3 A 4.1307 8.3882 128.1523 51.4764 19.3268 174.9267 4 L 4.6852 8.3790 120.7045 52.7945 44.7666 175.3216 5 A 4.1468 8.2422 124.9580 51.4112 19.1740 177.3524 6 K 4.0396 8.4482 123.0548 55.4889 32.2356 175.2894 7 P 4.5760 0.0000 0.0000 61.3394 32.6421 175.4401 8 Q 4.0570 8.4236 120.0779 56.6414 29.0702 175.3598 9 M 4.7209 8.6456 122.6184 54.8094 32.6729 175.4142 10 R 4.6311 7.6598 118.0241 55.0559 33.3945 175.4517 11 G 4.0539 8.6345 106.4875 46.6042 0.0000 176.1445 12 L 3.9746 7.3942 119.3199 57.2374 41.5912 178.7701 13 L 3.9458 7.8637 119.6624 58.0893 42.1005 178.6592 14 A 3.9877 7.9544 120.2983 55.1648 18.3630 179.4070 15 R 3.8392 8.1761 117.2885 59.5672 30.2123 178.7862 16 R 3.9885 8.1561 118.6072 59.1403 30.0717 178.2457 17 L 3.9656 8.2109 120.3592 58.1139 42.2859 178.6990 18 R 3.8900 8.2276 118.8650 59.5713 30.0885 177.9755 19 F 4.0623 8.2168 120.1619 61.8820 39.3617 176.7195 20 H 4.3309 8.4022 115.0543 58.2064 28.5759 177.9053 21 I 3.7623 7.9548 122.2410 64.1751 36.9119 178.4578 22 V 3.6691 7.7284 118.9724 65.9691 31.3580 178.3592 23 G 3.4678 7.7208 104.7741 47.6951 0.0000 175.5688 24 A 4.0656 8.2604 123.1747 54.6893 18.3458 179.6151 25 F 4.1338 8.2773 119.4242 61.7674 39.5372 177.3339 26 M 3.9282 8.1544 118.4096 58.3945 31.7393 178.9637 27 V 3.6133 7.8328 118.3749 65.9964 31.6893 178.2997 28 S 4.1801 7.9805 114.9217 61.6274 62.6598 176.6937 29 L 4.0565 7.8077 121.8119 57.6013 41.2946 179.8680 30 G 3.5809 8.1716 105.8084 47.6937 0.0000 175.6647 31 F 4.2719 8.8539 123.4071 60.7749 39.3760 176.9857 32 A 3.9128 8.6988 120.8445 55.6568 18.0044 179.5899 33 T 3.8137 7.7639 112.6212 66.8194 68.7525 176.2740 34 F 4.2955 8.2262 122.3460 61.4035 39.4769 176.5781 35 Y 3.5247 8.1545 119.4764 60.1994 38.4808 178.2619 36 K 4.5349 8.2606 118.7708 55.7762 32.7165 177.1750 37 F 4.8520 7.4805 120.2692 59.6295 46.4394 175.4506 38 A 3.3580 7.6401 121.1594 53.0967 18.8462 177.3210 39 V 3.7844 7.2662 113.1995 63.7984 33.2338 177.2744 40 A 3.8654 7.2518 120.8060 55.3140 18.2251 179.2757 41 E 3.8999 7.8938 115.8786 59.0960 29.5519 179.4674 42 K 3.7399 7.2798 119.9050 59.3575 32.2177 178.8393 43 R 3.9176 7.8319 118.9109 59.4310 29.9695 178.6557 44 K 4.0313 8.0075 118.3197 59.3576 31.9625 179.3329 45 K 3.9400 8.4237 119.9987 59.2814 32.1012 178.6088 46 A 3.9347 8.2229 121.3022 55.5541 18.3160 179.3260 47 Y 3.7235 8.1408 114.8690 60.9969 38.0107 178.4387 48 A 4.1762 8.4624 121.9417 55.3320 18.2999 179.4618 49 D 4.3213 8.6313 116.9547 57.3533 40.9783 178.4343 50 F 4.0362 8.0504 119.9340 61.5893 39.6022 176.4600 51 Y 4.4149 8.2546 114.8300 59.2872 37.5907 177.4984 52 R 4.1152 7.6334 119.6929 58.9111 30.2831 177.7937 53 N 5.0558 7.7868 113.4663 52.7881 39.7201 173.9499 54 Y 4.0111 7.6205 119.7687 57.4275 39.4998 175.0674 55 D 4.5040 7.7314 125.9092 52.0055 42.8484 176.3930 56 S 3.7830 7.8612 123.4807 61.3847 63.1012 176.2039 57 M 4.1286 7.9476 121.9849 58.0342 31.8310 178.3494 58 K 3.9618 8.2357 119.9044 59.3880 32.4005 178.3316 59 D 4.3267 8.1793 118.4100 57.3669 41.1437 177.9927 60 F 4.3886 8.5691 121.3551 61.3144 39.3214 176.4653 61 E 3.6189 8.7171 119.3265 59.4328 29.4981 178.7351 62 E 3.9009 8.1074 118.3938 59.6967 29.3633 179.3329 63 M 3.9212 7.8760 118.6465 58.1053 31.8812 178.8239 64 R 3.9500 8.0658 119.2571 59.4976 30.0607 178.7980 65 K 3.8794 7.9505 116.8372 59.2130 32.0856 178.6619 66 A 4.1765 7.6133 119.2063 52.4449 18.3961 177.8356 67 G 3.7895 7.9431 105.6345 46.3479 0.0000 175.1200 68 I 3.8024 7.0913 114.8406 62.0417 38.1230 176.1679 69 F 4.9351 7.4992 119.4646 56.8644 39.9299 175.6201 70 Q 4.2998 8.9269 123.1841 58.1109 29.0851 177.3264 71 S 4.3799 8.1589 110.1640 58.6776 63.9450 173.6251 72 A 4.6091 7.9746 122.7661 50.3983 20.5022 175.7625 73 K 4.2534 8.7448 120.7055 57.2458 32.3491 177.0173 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 2 T 8.17 4.21 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 3 A 8.39 4.13 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 4 L 8.38 4.69 0.00 1.62 1.57 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.24 4.15 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 6 K 8.45 4.04 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.58 0.00 2.20 2.04 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 8 Q 8.42 4.06 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.65 4.72 0.00 1.99 2.02 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 2.64 2.50 0.00 10 R 7.66 4.63 0.00 1.83 1.78 0.00 3.27 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 11 G 8.63 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 0.00 0.00 0.00 12 L 7.39 3.97 0.00 1.67 1.72 0.91 0.46 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 13 L 7.86 3.95 0.00 1.76 1.66 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.95 3.99 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 15 R 8.18 3.84 0.00 1.95 2.18 0.00 3.22 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 16 R 8.16 3.99 0.00 2.03 2.13 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 17 L 8.21 3.97 0.00 1.82 1.88 0.94 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 18 R 8.23 3.89 0.00 1.94 2.16 0.00 3.18 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 19 F 8.22 4.06 0.00 3.21 3.22 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 20 H 8.40 4.33 0.00 3.38 3.36 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.95 3.76 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.94 0.90 0.00 0.00 22 V 7.73 3.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 23 G 7.72 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 4.07 1.42 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 0.00 0.00 0.00 25 F 8.28 4.13 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 26 M 8.15 3.93 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 3.03 0.00 27 V 7.83 3.61 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 1.00 0.00 0.00 0.99 0.00 0.00 28 S 7.98 4.18 0.00 3.99 3.87 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 29 L 7.81 4.06 0.00 1.66 1.55 0.32 0.29 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 30 G 8.17 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 4.27 0.00 3.07 3.30 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 32 A 8.70 3.91 1.41 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 0.00 0.00 0.00 33 T 7.76 3.81 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 1.16 0.00 0.00 34 F 8.23 4.30 0.00 3.15 3.21 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 0.00 35 Y 8.15 3.52 0.00 2.39 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 36 K 8.26 4.53 0.00 1.82 1.84 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.65 7.81 37 F 7.48 4.85 0.00 2.87 3.06 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 0.00 0.00 0.00 38 A 7.64 3.36 0.56 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 0.00 0.00 39 V 7.27 3.78 0.78 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 0.60 0.00 0.00 0.39 0.00 0.00 40 A 7.25 3.87 1.29 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 0.00 0.00 41 E 7.89 3.90 0.00 1.92 1.96 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 2.40 2.33 0.00 42 K 7.28 3.74 0.00 1.64 1.72 0.00 1.51 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.26 7.81 43 R 7.83 3.92 0.00 2.07 2.06 0.00 3.27 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 44 K 8.01 4.03 0.00 1.99 1.86 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.56 7.81 45 K 8.42 3.94 0.00 1.85 1.77 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.58 7.81 46 A 8.22 3.93 1.28 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 0.00 0.00 47 Y 8.14 3.72 0.00 3.20 3.21 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 0.00 48 A 8.46 4.18 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.63 4.32 0.00 2.83 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 50 F 8.05 4.04 0.00 2.81 2.85 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 51 Y 8.25 4.41 0.00 3.42 3.08 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 0.00 0.00 0.00 0.00 52 R 7.63 4.12 0.00 2.03 2.14 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 53 N 7.79 5.06 0.00 2.67 2.73 0.00 0.00 6.84 7.46 0.00 0.00 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 Y 7.62 4.01 0.00 2.76 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 55 D 7.73 4.50 0.00 2.56 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 0.00 0.00 0.00 0.00 56 S 7.86 3.78 0.00 4.17 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 57 M 7.95 4.13 0.00 2.09 2.13 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 2.51 0.00 58 K 8.24 3.96 0.00 1.93 1.88 0.00 1.59 0.00 0.00 1.51 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 D 8.18 4.33 0.00 2.91 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 60 F 8.57 4.39 0.00 3.15 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.72 3.62 0.00 2.31 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 2.32 2.38 0.00 62 E 8.11 3.90 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 63 M 7.88 3.92 0.00 1.63 2.34 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.48 0.00 64 R 8.07 3.95 0.00 1.22 1.74 0.00 3.30 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.92 0.00 65 K 7.95 3.88 0.00 1.75 1.82 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.49 7.81 66 A 7.61 4.18 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 67 G 7.94 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 68 I 7.09 3.80 1.60 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.72 0.00 0.00 69 F 7.50 4.94 0.00 3.41 3.01 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 0.00 0.00 0.00 70 Q 8.93 4.30 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 71 S 8.16 4.38 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 4.61 1.40 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 73 K 8.74 4.25 0.00 1.79 1.75 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.39 7.81