NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1491 8.2229 123.5825 52.8152 19.8380 177.1231 1 N 4.1053 8.7304 114.4824 52.6235 35.2790 173.2771 2 Q 4.5855 7.9544 119.6430 56.0158 30.8094 175.1550 3 A 4.7841 8.5150 124.8235 51.1415 21.2955 176.0780 4 S 5.2147 8.8042 115.7479 56.3164 67.5081 173.5248 5 V 4.3050 8.4754 122.0127 62.8115 32.4434 174.9985 6 V 4.8411 8.5249 127.1394 60.6008 34.9023 174.3315 7 A 4.4726 8.8705 129.7554 52.4219 18.5528 177.6131 8 N 4.5078 9.4422 122.3454 55.3210 39.7546 174.4055 9 Q 4.6626 7.6856 115.1398 54.0025 33.6364 174.0665 10 L 4.1732 8.4959 122.7784 55.5079 42.9858 176.0949 11 I 4.4433 8.7472 128.2124 58.8930 38.4295 173.7371 12 P 4.7113 0.0000 0.0000 62.3662 32.1370 176.0419 13 I 3.8688 8.2596 120.6429 60.8789 38.9655 174.6035 14 N 4.7177 7.7344 120.4798 53.6344 36.6965 174.8248 15 T 4.7487 7.5839 111.3660 61.3371 72.3776 174.9371 16 A 4.3428 8.6969 128.2104 51.8254 19.2476 177.1519 17 L 4.2631 9.1224 123.9620 55.0179 42.9809 176.5341 18 T 4.9737 8.3001 112.2152 59.4855 72.0629 174.9759 19 L 4.0971 8.5472 121.5009 57.4738 41.8505 179.9270 20 V 3.7551 7.6923 116.8004 63.9520 31.9018 176.9961 21 M 4.2528 8.0944 120.1213 56.8543 32.2312 175.3613 22 M 5.2760 7.6482 118.4779 53.2992 35.1185 175.1134 23 R 4.7492 9.0519 119.2305 54.3982 33.7335 173.7210 24 S 5.2587 8.4597 113.2044 56.6041 64.3959 172.6269 25 E 4.6794 8.9283 126.4187 54.7723 33.6012 174.2444 26 V 4.2009 8.4122 126.1446 62.4780 31.6870 175.2246 27 V 4.6214 8.2811 120.3335 59.5049 35.4305 175.2100 28 T 4.6170 8.0457 110.0951 58.9742 71.2076 172.1861 29 P 4.4434 0.0000 0.0000 62.2841 32.1133 175.8077 30 V 3.8839 8.1507 118.7923 62.7213 32.7199 175.9539 31 G 4.3439 8.5175 114.9732 45.6121 0.0000 173.0218 32 I 3.9513 8.5075 124.4158 60.6365 38.2689 174.3486 33 P 4.6574 0.0000 0.0000 62.8959 31.9106 177.1944 34 A 3.9360 9.0217 126.2183 55.4475 17.9458 179.8108 35 E 3.9312 8.2818 114.8346 59.8411 29.6235 178.2804 36 D 4.6844 8.3678 117.5075 54.7758 40.7697 178.0564 37 I 3.7499 7.6976 122.1571 63.9224 37.2360 176.0622 38 P 4.3930 0.0000 0.0000 65.7859 30.9639 178.5485 39 R 3.9266 7.9208 117.3705 59.1762 30.3582 178.0703 40 L 4.1898 8.0818 118.5017 55.9686 41.6051 177.4947 41 V 3.6981 6.8165 119.2718 64.4461 31.7113 176.3331 42 S 4.0616 8.9963 122.0977 58.9497 61.4366 169.8246 43 M 4.5412 8.0188 121.1862 54.9666 33.8601 174.8620 44 Q 5.1522 8.4152 117.3490 54.3664 32.2551 175.8410 45 V 4.5522 8.2457 115.3159 61.0033 33.0741 176.4278 46 N 4.5233 9.1399 120.4284 54.1237 38.5174 174.2022 47 H 5.0472 7.8389 115.1371 53.9184 33.1515 173.0942 48 A 4.2036 8.7726 123.3582 52.7723 19.0613 176.9636 49 V 4.2222 8.7957 122.9767 60.3691 33.4309 173.7106 50 P 4.6857 0.0000 0.0000 62.1691 32.7264 175.7621 51 L 4.0741 8.3476 123.4997 56.6389 42.3724 177.6515 52 G 3.9689 8.9717 113.8894 45.7056 0.0000 173.7365 53 T 4.2030 7.5801 117.1194 63.5536 69.7973 174.0424 54 T 4.5388 8.3171 121.8959 63.1366 69.7801 174.3312 55 L 4.2196 8.7704 126.8147 54.7230 42.8339 176.4870 56 M 4.7078 8.4543 123.3357 52.8629 34.5227 175.1230 57 P 4.0211 0.0000 0.0000 65.9033 31.4944 178.6204 58 D 4.5449 8.1021 114.8725 55.9116 39.3722 177.1113 59 M 4.3806 8.1098 118.9966 55.8158 32.5221 175.7248 60 V 4.5837 7.4920 119.6762 60.4099 32.8558 174.9154 61 K 4.0416 8.9410 128.4660 57.8690 32.0401 177.1895 62 G 3.8566 8.9791 112.0634 46.1884 0.0000 171.8102 63 Y 4.4630 7.6431 120.0915 55.7887 39.8551 174.8307 64 A 4.3329 7.3654 127.8131 50.5073 22.4153 175.7526 65 A 4.1048 8.1841 122.9915 52.1872 19.3249 176.3282 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 0 A 8.22 4.15 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 1 N 8.73 4.11 0.00 2.97 2.75 0.00 0.00 6.70 6.57 0.00 0.00 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 Q 7.95 4.59 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 3 A 8.52 4.78 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 4 S 8.80 5.21 0.00 3.72 3.71 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 5 V 8.48 4.31 2.02 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 0.94 0.00 0.00 0.90 0.00 0.00 6 V 8.52 4.84 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 1.09 0.00 0.00 0.97 0.00 0.00 7 A 8.87 4.47 1.32 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 0.00 0.00 8 N 9.44 4.51 0.00 2.68 3.01 0.00 0.00 7.04 7.71 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 9 Q 7.69 4.66 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 10 L 8.50 4.17 0.00 1.63 1.57 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.75 4.44 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 1.28 0.67 0.90 0.00 0.00 12 P 0.00 4.71 0.00 2.07 2.06 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 13 I 8.26 3.87 1.87 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 1.33 0.79 0.91 0.00 0.00 14 N 7.73 4.72 0.00 2.67 2.83 0.00 0.00 6.73 7.42 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 15 T 7.58 4.75 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 1.21 0.00 0.00 16 A 8.70 4.34 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 17 L 9.12 4.26 0.00 1.83 1.61 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.30 4.97 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 19 L 8.55 4.10 0.00 1.73 1.76 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.69 3.76 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 0.78 0.00 0.00 0.99 0.00 0.00 21 M 8.09 4.25 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 22 M 7.65 5.28 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 23 R 9.05 4.75 0.00 1.81 2.01 0.00 2.72 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 24 S 8.46 5.26 0.00 3.87 3.75 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 25 E 8.93 4.68 0.00 2.04 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 2.20 2.25 0.00 26 V 8.41 4.20 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 0.88 0.00 0.00 0.93 0.00 0.00 27 V 8.28 4.62 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 0.82 0.00 0.00 0.92 0.00 0.00 28 T 8.05 4.62 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 29 P 0.00 4.44 0.00 2.19 2.11 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 30 V 8.15 3.88 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.52 4.34 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 0.00 0.00 0.00 32 I 8.51 3.95 1.71 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.42 0.78 0.00 0.00 33 P 0.00 4.66 0.00 2.10 2.00 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 34 A 9.02 3.94 1.32 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 0.00 0.00 35 E 8.28 3.93 0.00 2.15 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 0.00 2.31 2.45 0.00 36 D 8.37 4.68 0.00 3.04 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 37 I 7.70 3.75 1.94 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 1.57 0.59 0.91 0.00 0.00 38 P 0.00 4.39 0.00 2.27 2.31 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 39 R 7.92 3.93 0.00 1.87 2.26 0.00 3.26 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 40 L 8.08 4.19 0.00 1.92 1.71 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.82 3.70 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 0.76 0.00 0.00 0.99 0.00 0.00 42 S 9.00 4.06 0.00 4.08 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 43 M 8.02 4.54 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 44 Q 8.42 5.15 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 45 V 8.25 4.55 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 0.81 0.00 0.00 0.94 0.00 0.00 46 N 9.14 4.52 0.00 2.68 2.99 0.00 0.00 6.83 8.71 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 47 H 7.84 5.05 0.00 2.99 3.18 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.77 4.20 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 49 V 8.80 4.22 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 1.02 0.00 0.00 0.96 0.00 0.00 50 P 0.00 4.69 0.00 2.10 1.96 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 51 L 8.35 4.07 0.00 1.60 1.57 0.92 1.14 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 52 G 8.97 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 0.00 0.00 0.00 53 T 7.58 4.20 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 1.20 0.00 0.00 54 T 8.32 4.54 4.22 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 1.24 0.00 0.00 55 L 8.77 4.22 0.00 1.71 1.48 0.89 0.64 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 56 M 8.45 4.71 0.00 2.04 2.03 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 2.59 2.62 0.00 57 P 0.00 4.02 0.00 2.24 2.38 0.00 3.60 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 2.19 2.10 0.00 58 D 8.10 4.54 0.00 2.81 2.84 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 59 M 8.11 4.38 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 60 V 7.49 4.58 2.02 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 1.08 0.00 0.00 0.81 0.00 0.00 61 K 8.94 4.04 0.00 1.90 1.77 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.38 7.81 62 G 8.98 3.86 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 0.00 0.00 0.00 63 Y 7.64 4.46 0.00 2.88 2.97 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 64 A 7.37 4.33 1.05 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 65 A 8.18 4.10 1.21 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 0.00 0.00