NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3317 8.0433 120.6316 55.0166 42.1532 176.1203 2 Q 4.5075 8.3211 123.7585 55.4417 31.5844 172.1340 3 C 4.8546 9.3061 115.1982 57.4653 46.2594 173.3316 4 Y 4.9664 9.1895 123.1688 56.1506 36.7409 174.0545 5 N 5.0831 8.9133 121.0687 52.1103 41.5124 172.2940 6 C 5.0037 8.5502 117.2688 54.9515 46.3084 172.3835 7 P 4.3376 0.0000 0.0000 65.7596 31.1274 176.9263 8 N 4.8317 7.7565 113.0673 51.2651 39.8107 173.8864 9 P 4.2885 0.0000 0.0000 63.0813 29.3274 174.3654 10 T 4.4563 7.9975 110.6768 59.5960 70.4068 175.0291 11 A 4.3771 8.5629 128.6549 52.7691 20.0746 176.3826 12 D 5.0267 7.3808 114.7999 52.6776 41.6008 176.8612 13 C 4.8684 7.8993 114.4404 56.0858 43.8720 174.0222 14 K 4.8060 8.8628 126.5061 57.2815 32.6175 174.9527 15 T 3.8161 7.8756 108.8590 60.8449 70.6109 171.7798 16 A 4.4298 8.0096 125.3557 51.5080 19.8893 177.0397 17 V 4.5027 8.3381 115.6229 60.3501 36.5531 173.9428 18 N 5.1838 8.8895 118.7571 52.3234 38.9176 173.5444 19 C 5.1017 8.6264 118.4066 53.1602 42.8204 173.3215 20 S 4.5397 8.3707 121.8198 56.9972 62.8958 174.6162 21 S 3.9148 8.6508 113.3587 57.2529 62.4925 168.5401 22 D 5.2061 6.6861 119.5960 53.9591 42.7262 177.2361 23 F 4.1301 6.7131 115.2336 55.7335 38.1111 174.0436 24 D 4.7960 8.7814 124.0513 54.9241 41.4576 176.7734 25 A 4.5089 8.2168 123.5899 51.3393 19.1271 176.5961 26 C 4.9647 9.1500 123.5183 56.7073 40.1378 172.2131 27 L 4.6899 8.4958 127.7624 54.8252 42.3038 175.9911 28 I 4.6497 8.1782 122.6788 59.0985 39.2362 174.6702 29 T 4.5651 8.3026 124.3131 62.6500 69.0680 174.3588 30 K 4.6094 8.4149 124.8008 54.4836 32.2084 172.7554 31 A 4.0897 8.7202 124.4498 52.5839 19.9882 178.2086 32 G 4.0853 9.4422 112.4025 45.9109 0.0000 173.7535 33 L 4.5229 8.3534 117.0508 55.2833 45.6480 177.5235 34 Q 3.9004 7.6192 117.5957 55.3756 28.9008 175.2091 35 V 4.7094 7.9701 122.8341 61.8521 32.2632 175.9140 36 Y 4.6274 8.0468 126.8431 57.0191 36.8658 172.1999 37 N 5.0769 8.1757 120.7586 52.5293 41.1168 173.5071 38 K 4.8413 8.6628 126.1382 55.8009 36.5371 173.7526 39 C 5.0974 8.7495 118.3598 56.3430 42.8693 172.9679 40 W 4.9497 9.0754 129.7625 55.9679 35.0254 174.1370 41 K 3.9844 8.3129 122.8366 56.2244 31.9152 179.4372 42 F 3.9707 6.8077 121.1253 59.7701 39.4492 178.6033 43 E 4.7169 8.2151 120.1264 56.2814 29.1881 177.1718 44 H 4.8590 8.4322 111.6666 56.0630 32.5535 173.5281 45 C 4.5625 7.7703 120.4458 55.9228 42.5570 172.8945 46 N 4.5142 7.5957 118.1605 53.7159 39.7339 176.8734 47 F 5.5663 8.6151 121.1844 58.1593 41.6032 175.0928 48 N 4.1907 8.8151 118.8383 53.2347 39.7184 176.5444 49 D 4.7413 7.8881 117.8679 56.2320 41.1499 178.0715 50 V 2.3595 7.0663 118.1892 65.2862 31.7921 176.3907 51 T 3.9918 6.8026 111.8482 62.1991 67.5303 176.2519 52 T 3.8529 7.9714 118.5778 66.9753 68.4221 176.2024 53 R 4.2426 8.1323 117.7756 57.3077 30.3549 176.0177 54 L 4.1742 7.4289 118.8061 55.0746 42.4282 172.1587 55 R 3.8045 8.2436 124.6017 55.3349 28.8158 174.4733 56 E 4.7860 9.2924 121.6820 53.4131 33.7877 177.0928 57 N 4.7866 7.9468 122.5948 54.0249 37.4215 175.4202 58 E 4.8838 8.6092 123.7309 56.0255 31.5655 175.2211 59 L 4.4534 7.7616 122.3800 56.6285 41.9484 177.8581 60 T 4.5651 7.3522 105.5886 63.4718 70.7710 172.8221 61 Y 4.7181 6.9259 122.7050 56.2212 41.2677 175.2350 62 Y 5.1479 9.0439 122.6805 56.1867 41.5522 171.5886 63 C 4.9946 8.6844 122.2743 54.0866 44.1156 174.3447 64 C 4.5520 8.3910 121.5684 54.8646 42.4652 174.0110 65 K 5.1574 7.7796 118.8684 55.2447 32.0656 174.7997 66 K 4.5208 7.5988 119.4830 57.6338 37.1539 174.4875 67 D 4.4705 7.7995 114.9933 54.0474 44.7141 175.0718 68 L 4.1540 9.4805 117.0880 57.0060 40.0800 175.8663 69 C 4.5482 7.9864 111.9597 55.4106 41.3032 172.5327 70 N 4.4596 8.1480 122.6668 55.1975 38.5330 173.4932 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 L 8.04 4.33 0.00 1.70 1.73 1.04 0.71 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 2 Q 8.32 4.51 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.51 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 3 C 9.31 4.85 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.19 4.97 0.00 2.97 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 5 N 8.91 5.08 0.00 2.87 3.07 0.00 0.00 6.38 7.80 0.00 0.00 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 C 8.55 5.00 0.00 3.14 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 7 P 0.00 4.34 0.00 2.11 2.12 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 8 N 7.76 4.83 0.00 2.75 2.82 0.00 0.00 6.93 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 9 P 0.00 4.29 0.00 2.07 1.73 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 10 T 8.00 4.46 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 1.24 0.00 0.00 11 A 8.56 4.38 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 12 D 7.38 5.03 0.00 2.63 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 13 C 7.90 4.87 0.00 2.89 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.86 4.81 0.00 2.22 2.05 0.00 1.83 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.46 7.81 15 T 7.88 3.82 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 1.21 0.00 0.00 16 A 8.01 4.43 0.63 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 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.34 4.50 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 0.66 0.00 0.00 0.97 0.00 0.00 18 N 8.89 5.18 0.00 2.77 2.77 0.00 0.00 6.17 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 19 C 8.63 5.10 0.00 3.38 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 20 S 8.37 4.54 0.00 4.07 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.65 3.91 0.00 3.78 3.36 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 22 D 6.69 5.21 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 6.71 4.13 0.00 3.20 2.78 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 0.00 0.00 0.00 0.00 24 D 8.78 4.80 0.00 2.85 2.81 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 25 A 8.22 4.51 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 26 C 9.15 4.96 0.00 3.12 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 27 L 8.50 4.69 0.00 1.34 1.55 0.70 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.18 4.65 2.15 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.73 1.07 0.00 0.00 29 T 8.30 4.57 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 30 K 8.41 4.61 0.00 1.95 1.62 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81 31 A 8.72 4.09 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 32 G 9.44 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.35 4.52 0.00 1.52 1.62 0.89 0.87 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 34 Q 7.62 3.90 0.00 1.89 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 35 V 7.97 4.71 2.04 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 0.97 0.00 0.00 0.91 0.00 0.00 36 Y 8.05 4.63 0.00 2.97 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 37 N 8.18 5.08 0.00 2.85 2.74 0.00 0.00 6.46 6.14 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 38 K 8.66 4.84 0.00 1.96 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.48 7.81 39 C 8.75 5.10 0.00 3.00 3.40 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 40 W 9.08 4.95 0.00 3.32 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 41 K 8.31 3.98 0.00 1.31 1.36 0.00 1.27 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.03 7.81 42 F 6.81 3.97 0.00 3.36 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 43 E 8.22 4.72 0.00 2.22 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 0.00 2.38 2.46 0.00 44 H 8.43 4.86 0.00 3.31 3.58 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.77 4.56 0.00 3.10 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 46 N 7.60 4.51 0.00 3.11 2.78 0.00 0.00 7.16 7.48 0.00 0.00 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 F 8.62 5.57 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 4.19 0.00 2.64 2.62 0.00 0.00 6.48 7.75 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 49 D 7.89 4.74 0.00 3.00 2.91 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 50 V 7.07 2.36 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.34 0.00 0.00 51 T 6.80 3.99 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 1.07 0.00 0.00 52 T 7.97 3.85 4.47 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 1.24 0.00 0.00 53 R 8.13 4.24 0.00 1.91 2.10 0.00 3.11 0.00 0.00 3.03 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 54 L 7.43 4.17 0.00 1.42 1.37 0.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.24 3.80 0.00 1.85 2.09 0.00 3.26 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 56 E 9.29 4.79 0.00 1.92 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 2.13 2.19 0.00 57 N 7.95 4.79 0.00 2.86 2.72 0.00 0.00 6.60 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 58 E 8.61 4.88 0.00 1.92 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 2.21 2.34 0.00 59 L 7.76 4.45 0.00 1.98 1.67 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.35 4.57 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 1.12 0.00 0.00 61 Y 6.93 4.72 0.00 3.00 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 62 Y 9.04 5.15 0.00 3.05 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 63 C 8.68 4.99 0.00 2.92 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 64 C 8.39 4.55 0.00 2.91 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 65 K 7.78 5.16 0.00 1.72 1.73 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.29 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.60 1.60 7.81 66 K 7.60 4.52 0.00 1.74 1.77 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.44 7.81 67 D 7.80 4.47 0.00 2.70 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 68 L 9.48 4.15 0.00 2.08 1.94 1.27 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 69 C 7.99 4.55 0.00 3.28 3.45 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 70 N 8.15 4.46 0.00 2.99 2.57 0.00 0.00 7.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00