NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4544 8.3049 120.3265 54.9174 33.4276 175.0696 2 K 4.1401 8.3654 120.9897 55.6600 33.0522 175.0294 3 I 4.5953 7.7535 121.8664 59.2460 40.8959 175.9610 4 S 4.1584 8.8966 119.9237 60.9110 63.1425 175.0577 5 G 3.7456 8.1201 109.5556 46.0631 0.0000 173.3424 6 R 3.9827 8.6089 124.4155 58.1602 30.7763 176.1816 7 N 4.7677 8.0864 116.2785 51.8362 39.8342 174.4185 8 K 4.9611 8.5787 123.5088 54.3874 35.0664 175.7030 9 L 4.4544 8.7143 125.2432 52.6160 44.5295 175.8194 10 E 4.7718 9.0787 124.4003 56.3047 29.9479 175.8346 11 A 5.0824 9.3598 126.4919 50.5003 23.7072 174.0091 12 T 4.9943 8.5527 114.3510 61.7758 71.9297 174.4114 13 V 4.1269 8.8085 126.6877 63.0773 32.0758 176.4106 14 K 4.3716 9.1036 127.3988 57.7526 33.9414 176.4200 15 E 4.7862 7.7790 118.3533 54.9671 33.2780 174.0109 16 I 5.0718 8.2934 125.2369 59.5425 40.8508 174.7066 17 V 4.3480 8.7623 126.8402 61.0360 34.0575 174.1153 18 K 4.6532 8.8208 127.7703 55.2261 33.3996 176.7584 19 G 4.1818 8.6261 116.0566 44.4109 0.0000 172.9748 20 T 4.0477 8.5065 114.8274 65.8748 69.0587 175.1570 21 V 4.2578 7.9021 118.6285 64.2124 34.3521 175.6030 22 M 5.1274 7.9826 118.2688 53.7303 35.0548 174.7437 23 A 5.1415 9.0425 121.9801 50.0933 22.8591 175.0153 24 K 4.6301 9.1302 123.9656 55.4225 33.9871 175.4047 25 I 4.7558 8.9395 129.4398 59.7605 39.2474 174.6300 26 V 4.5571 8.7760 128.8909 61.9762 33.0580 174.8432 27 M 5.3531 9.3317 126.6518 53.5923 36.5221 173.4930 28 D 5.3131 9.1479 119.8727 52.7485 44.3490 174.0792 29 Y 4.4005 9.2338 127.2378 55.2763 40.8221 175.5102 30 K 3.6172 9.2327 129.5220 57.1734 29.7638 176.3735 31 G 3.9535 8.5987 105.8965 45.1065 0.0000 173.6125 32 T 4.5175 7.9659 117.7472 61.6269 70.1358 173.2735 33 E 4.7286 8.7045 127.4854 55.9851 30.5644 175.5295 34 L 4.9146 9.0922 126.6047 53.0315 45.3241 175.6802 35 V 4.8774 8.2567 120.0873 61.3566 34.2488 174.2217 36 A 4.8669 9.0912 129.5852 50.0033 22.0962 174.8979 37 A 5.1968 8.6427 122.9026 50.3616 20.9636 175.3922 38 I 4.7330 8.2939 115.2189 59.4042 41.8853 175.2977 39 T 4.5623 8.2788 111.7371 60.9981 69.8019 175.7457 40 I 3.7767 8.4320 117.2822 64.1610 37.3478 178.1708 41 D 4.3885 8.1289 120.4380 57.5785 40.5709 178.7970 42 S 4.1149 7.9406 115.1631 61.3195 62.7875 176.8288 43 V 3.5494 7.7046 120.4491 65.8876 31.4332 177.8741 44 A 3.9652 7.8674 119.9686 55.1236 18.0591 179.0134 45 D 4.2738 8.0759 115.5285 57.5399 41.4842 178.0198 46 L 4.1769 8.0537 116.3072 54.4509 42.5075 176.2385 47 D 4.3875 7.7659 117.8376 55.0824 38.9185 174.3184 48 L 4.3610 7.8776 118.0739 54.7230 42.6849 177.6353 49 V 4.4609 8.8737 122.2493 60.0843 34.7692 172.6421 50 P 4.4789 0.0000 0.0000 64.4941 31.5391 176.2408 51 G 4.1048 9.1717 111.3417 45.4603 0.0000 173.9857 52 D 4.5627 8.1779 119.8528 54.3733 42.1540 175.6572 53 K 4.7826 8.4943 121.2644 55.8809 33.3741 176.4077 54 V 4.6144 8.9432 117.4740 60.1740 37.0244 174.0968 55 T 5.0889 8.3533 117.1079 61.8210 70.6458 174.2765 56 A 4.2875 9.1225 129.9195 51.4951 19.8859 175.7199 57 L 5.1449 8.4433 123.4392 53.1800 45.1991 175.7547 58 V 4.4278 8.6195 125.2208 60.6963 34.9174 174.7836 59 K 4.2454 8.7444 128.6446 55.9880 33.1460 177.1881 60 A 4.0035 8.7376 128.2014 55.6133 18.3854 179.5760 61 T 4.1129 7.8427 103.3801 63.4364 69.0772 174.6844 62 E 4.3999 8.0480 120.9663 56.2326 29.9390 174.9452 63 M 4.4454 7.6611 119.5409 53.7447 33.3775 175.4569 64 E 4.4894 8.5117 125.5629 55.1501 31.3913 175.4322 65 V 4.4215 8.0310 118.8978 61.0396 34.0949 174.5154 66 L 4.8283 8.4341 126.1236 52.8691 44.3192 176.3195 67 K 4.1380 8.3387 122.0031 56.7264 32.4590 175.7418 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 1 M 8.30 4.45 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.37 4.14 0.00 1.83 1.73 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 I 7.75 4.60 1.86 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 1.47 0.75 0.94 0.00 0.00 4 S 8.90 4.16 0.00 3.97 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 5 G 8.12 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 0.00 0.00 0.00 6 R 8.61 3.98 0.00 1.80 1.99 0.00 3.35 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 7 N 8.09 4.77 0.00 2.81 2.69 0.00 0.00 6.62 7.68 0.00 0.00 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 K 8.58 4.96 0.00 1.55 1.67 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.46 7.81 9 L 8.71 4.45 0.00 1.37 1.11 0.67 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.08 4.77 0.00 1.98 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 2.35 2.37 0.00 11 A 9.36 5.08 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 12 T 8.55 4.99 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 13 V 8.81 4.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 14 K 9.10 4.37 0.00 1.73 1.83 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.37 7.81 15 E 7.78 4.79 0.00 2.00 1.73 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 2.28 2.34 0.00 16 I 8.29 5.07 1.87 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 1.23 0.79 0.91 0.00 0.00 17 V 8.76 4.35 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 1.02 0.00 0.00 0.93 0.00 0.00 18 K 8.82 4.65 0.00 1.67 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 19 G 8.63 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.51 4.05 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 21 V 7.90 4.26 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 1.02 0.00 0.00 0.93 0.00 0.00 22 M 7.98 5.13 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 23 A 9.04 5.14 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.13 4.63 0.00 1.82 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.41 7.81 25 I 8.94 4.76 1.87 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 1.11 0.82 0.92 0.00 0.00 26 V 8.78 4.56 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 27 M 9.33 5.35 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 28 D 9.15 5.31 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.23 4.40 0.00 3.05 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 30 K 9.23 3.62 0.00 1.18 1.52 0.00 1.30 0.00 0.00 1.48 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.02 0.48 7.81 31 G 8.60 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.97 4.52 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 E 8.70 4.73 0.00 2.00 1.86 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 2.30 2.49 0.00 34 L 9.09 4.91 0.00 1.58 1.53 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.26 4.88 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 0.94 0.00 0.00 36 A 9.09 4.87 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 37 A 8.64 5.20 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 38 I 8.29 4.73 1.87 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 1.28 0.96 0.91 0.00 0.00 39 T 8.28 4.56 4.39 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 1.21 0.00 0.00 40 I 8.43 3.78 1.87 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 1.68 0.58 0.91 0.00 0.00 41 D 8.13 4.39 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.11 0.00 4.06 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 43 V 7.70 3.55 2.23 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 1.05 0.00 0.00 0.93 0.00 0.00 44 A 7.87 3.97 1.33 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 45 D 8.08 4.27 0.00 2.75 2.71 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 46 L 8.05 4.18 0.00 1.81 1.70 0.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.77 4.39 0.00 2.83 2.71 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 48 L 7.88 4.36 0.00 1.65 1.61 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.87 4.46 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 0.99 0.00 0.00 0.99 0.00 0.00 50 P 0.00 4.48 0.00 2.08 2.18 0.00 3.70 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 2.04 2.11 0.00 51 G 9.17 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.18 4.56 0.00 2.67 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 53 K 8.49 4.78 0.00 1.64 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 54 V 8.94 4.61 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.95 0.00 0.00 55 T 8.35 5.09 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 1.20 0.00 0.00 56 A 9.12 4.29 1.20 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 0.00 0.00 57 L 8.44 5.14 0.00 1.58 1.50 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.62 4.43 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 0.86 0.00 0.00 0.90 0.00 0.00 59 K 8.74 4.25 0.00 1.82 1.65 0.00 1.78 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.43 7.81 60 A 8.74 4.00 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 61 T 7.84 4.11 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 62 E 8.05 4.40 0.00 2.16 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 2.26 2.26 0.00 63 M 7.66 4.45 0.00 1.93 1.93 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 2.50 2.46 0.00 64 E 8.51 4.49 0.00 1.99 1.86 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 2.26 2.28 0.00 65 V 8.03 4.42 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 0.84 0.00 0.00 0.93 0.00 0.00 66 L 8.43 4.83 0.00 1.64 1.53 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.34 4.14 0.00 1.64 1.59 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.41 7.81