NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 C 4.5629 8.2033 115.7851 57.4404 32.5190 172.4350 1 E 4.6709 8.1421 119.5196 54.1498 31.7349 173.7186 2 L 4.7042 9.3705 126.2677 52.9109 45.6349 174.8615 3 Y 5.0806 8.5383 119.8727 56.5515 40.5762 174.7726 4 H 4.9912 9.3172 120.0758 54.2548 32.6977 172.1941 5 Y 5.3507 8.4282 121.7626 56.4043 41.9101 173.8511 6 Q 4.7027 8.2996 122.5607 55.3473 32.3025 173.0941 7 E 5.1443 8.6666 120.3585 55.4402 32.0570 173.8409 8 C 4.9340 8.6150 115.4031 54.0805 41.2799 172.9229 9 V 4.4476 8.2620 119.9146 61.9867 32.2043 175.4045 10 R 4.1883 8.6841 129.0912 58.1839 30.4175 175.8078 11 G 4.1363 8.7414 113.1988 45.7031 0.0000 173.9779 12 T 4.2904 7.5148 109.4264 61.5919 70.7450 173.7077 13 T 4.8270 8.2339 118.5074 62.3088 70.0118 174.5650 14 V 4.3258 8.7837 126.6224 61.1572 34.0553 174.2286 15 I 4.6609 8.2117 127.7704 59.5334 39.0423 174.8289 16 L 4.7276 8.0728 126.3544 52.5083 45.7793 175.3363 17 K 4.7144 8.4327 121.9927 54.9807 32.9550 176.3198 18 E 3.9848 9.5628 127.5521 55.7837 29.9046 176.4967 19 P 4.3173 0.0000 0.0000 64.8916 31.8220 175.0131 20 C 4.8282 6.9477 112.2600 53.3640 44.4357 171.9651 21 P 4.3235 0.0000 0.0000 64.3303 31.8668 176.5669 22 S 3.6119 8.5453 115.0546 59.1233 61.8202 171.4586 23 G 4.2008 7.6551 106.8737 46.4748 0.0000 173.4830 24 T 4.5761 8.6873 111.0166 60.4143 70.7027 173.1943 25 Y 4.5871 8.1335 125.3229 55.7198 41.5709 174.2460 26 E 4.0944 7.5807 125.2383 54.7132 33.4683 174.3828 27 G 4.0631 7.6231 111.9517 46.1441 0.0000 172.6452 28 N 4.7883 8.5212 115.0279 54.1041 38.8782 175.8376 29 S 4.8115 7.3976 112.0825 55.0503 65.9930 172.2638 30 P 4.3640 0.0000 0.0000 62.9177 31.4603 175.7007 31 F 3.9731 8.4219 122.3130 58.4295 40.0708 175.1287 32 H 4.8460 7.3099 124.3228 52.6705 29.3303 170.5031 33 P 4.3406 0.0000 0.0000 62.6154 32.3325 175.6477 34 L 4.9466 8.4837 120.9112 52.6540 44.6150 175.9900 35 A 4.1855 8.3591 121.9016 53.4335 18.9898 176.7796 36 D 4.6258 8.7658 116.4369 55.8300 37.7181 174.1050 37 N 4.4048 8.3218 111.8219 54.6477 36.1793 173.9201 38 K 5.2967 7.3684 115.6482 54.8010 36.3297 175.0699 39 F 5.1675 8.9090 114.7938 55.6203 41.3150 173.2380 40 A 5.1840 8.4007 121.8977 50.3384 21.8096 175.5185 41 L 4.5942 8.2333 118.6743 54.7274 44.3048 174.8197 42 T 4.5495 8.3689 117.6213 63.2443 69.7072 174.9863 43 C 4.6151 9.3583 127.5706 56.9837 44.4568 172.4137 44 T 4.9565 8.2355 114.9906 60.3758 71.6507 173.7738 45 S 4.9266 8.6056 118.8373 58.8405 63.1782 173.1825 46 T 4.7843 8.2701 118.6191 61.4876 69.8989 171.4094 47 H 5.6533 8.8769 119.3055 54.1365 33.0167 172.8645 48 F 5.2472 8.6855 115.3027 56.1106 41.9009 172.5665 49 A 5.3726 9.0148 119.8861 50.7343 23.0347 175.1138 50 F 5.2435 9.5633 117.4660 55.5891 43.1503 174.0795 51 A 5.0128 9.3442 124.6848 50.5161 21.2406 175.0463 52 C 5.1864 8.9661 119.8382 54.8533 42.9187 175.2228 53 A 3.7780 8.7864 124.0298 55.3422 18.0568 178.4254 54 D 4.5406 8.0666 112.6855 53.6853 39.6360 177.3148 55 G 3.9475 8.2921 108.6013 45.6553 0.0000 173.7458 56 T 4.5068 7.7336 117.5354 62.8066 70.1366 173.6430 57 R 5.0623 9.2846 126.8108 54.8557 32.9585 173.9460 58 H 5.2540 9.4148 123.5944 54.4582 31.4907 173.2191 59 T 5.0290 8.6229 120.6643 62.0289 70.9999 173.0966 60 Y 4.9559 9.2171 124.0164 56.0670 41.2478 174.5023 61 Q 4.7501 8.7155 123.7277 54.2351 32.4534 173.6937 62 L 4.9791 9.0373 126.7562 52.9349 44.7165 175.3824 63 R 4.4748 8.3989 124.0162 54.4336 31.7606 174.6107 64 A 4.8957 8.6922 129.8468 51.5647 19.3776 176.5729 65 R 4.8378 8.7838 118.1427 54.1367 33.5522 175.1760 66 S 4.5972 8.6250 115.2722 58.2437 64.9243 174.5694 67 V 3.6822 8.2133 112.0749 62.0174 31.2880 172.5564 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 C 8.20 4.56 0.00 3.20 3.24 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 1 E 8.14 4.67 0.00 1.87 1.61 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 2.14 2.35 0.00 2 L 9.37 4.70 0.00 1.25 1.35 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.54 5.08 0.00 2.82 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 4 H 9.32 4.99 0.00 2.22 2.88 0.00 5.78 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 5 Y 8.43 5.35 0.00 2.94 2.73 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 0.00 0.00 0.00 6 Q 8.30 4.70 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 7 E 8.67 5.14 0.00 1.89 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 2.25 2.35 0.00 8 C 8.61 4.93 0.00 2.96 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 4.45 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 0.94 0.00 0.00 0.93 0.00 0.00 10 R 8.68 4.19 0.00 1.79 1.84 0.00 3.35 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 11 G 8.74 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.51 4.29 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 1.20 0.00 0.00 13 T 8.23 4.83 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 1.13 0.00 0.00 14 V 8.78 4.33 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 0.92 0.00 0.00 0.92 0.00 0.00 15 I 8.21 4.66 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 0.78 0.00 0.00 16 L 8.07 4.73 0.00 0.27 1.30 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.43 4.71 0.00 1.76 1.75 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.56 7.81 18 E 9.56 3.98 0.00 2.04 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 2.41 2.54 0.00 19 P 0.00 4.32 0.00 1.61 2.09 0.00 2.47 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 20 C 6.95 4.83 0.00 3.24 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 21 P 0.00 4.32 0.00 2.21 2.10 0.00 3.88 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 1.99 1.96 0.00 22 S 8.55 3.61 0.00 4.08 4.04 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 0.00 0.00 0.00 0.00 23 G 7.66 4.20 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 0.00 24 T 8.69 4.58 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 1.19 0.00 0.00 25 Y 8.13 4.59 0.00 1.63 1.85 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 26 E 7.58 4.09 0.00 1.77 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 27 G 7.62 4.06 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 0.00 0.00 0.00 28 N 8.52 4.79 0.00 2.80 2.92 0.00 0.00 6.79 7.45 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 29 S 7.40 4.81 0.00 3.99 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.10 2.10 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 31 F 8.42 3.97 0.00 2.38 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 32 H 7.31 4.85 0.00 3.13 2.99 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.34 0.00 2.09 2.15 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 34 L 8.48 4.95 0.00 1.55 1.54 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.36 4.19 1.25 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 0.00 0.00 0.00 36 D 8.77 4.63 0.00 2.86 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 37 N 8.32 4.40 0.00 2.94 2.92 0.00 0.00 6.79 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 38 K 7.37 5.30 0.00 1.72 1.72 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.58 7.81 39 F 8.91 5.17 0.00 2.36 2.56 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 40 A 8.40 5.18 1.07 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 0.00 0.00 41 L 8.23 4.59 0.00 1.70 1.63 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.37 4.55 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 1.21 0.00 0.00 43 C 9.36 4.62 0.00 2.96 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.24 4.96 4.28 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 1.24 0.00 0.00 45 S 8.61 4.93 0.00 3.82 3.94 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 0.00 0.00 0.00 46 T 8.27 4.78 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 47 H 8.88 5.65 0.00 3.16 3.18 0.00 5.86 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.69 5.25 0.00 2.85 3.04 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 0.00 0.00 0.00 0.00 49 A 9.01 5.37 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 50 F 9.56 5.24 0.00 3.09 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 51 A 9.34 5.01 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 52 C 8.97 5.19 0.00 3.16 3.04 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 0.00 0.00 0.00 0.00 53 A 8.79 3.78 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 54 D 8.07 4.54 0.00 2.81 2.80 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 55 G 8.29 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 56 T 7.73 4.51 4.38 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 1.08 0.00 0.00 57 R 9.28 5.06 0.00 1.80 1.98 0.00 3.03 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 58 H 9.41 5.25 0.00 3.46 3.28 0.00 5.83 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.62 5.03 4.20 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 1.41 0.00 0.00 60 Y 9.22 4.96 0.00 1.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.72 4.75 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 62 L 9.04 4.98 0.00 1.75 1.57 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.40 4.47 0.00 1.76 1.54 0.00 3.18 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 64 A 8.69 4.90 1.26 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 0.00 0.00 65 R 8.78 4.84 0.00 1.87 2.00 0.00 2.79 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 66 S 8.62 4.60 0.00 3.91 3.94 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 0.00 0.00 0.00 67 V 8.21 3.68 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 0.65 0.00 0.00 0.94 0.00 0.00