NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9069 8.3549 109.7341 44.7013 0.0000 174.2461 3 K 3.6945 8.0054 120.3234 55.5732 32.5803 170.7578 4 V 4.4337 8.7901 124.0075 61.2389 35.4357 173.4170 5 Y 5.0917 8.6937 123.8145 56.1329 40.9909 174.7113 6 K 4.5451 8.2039 122.2945 54.4723 35.5205 174.7533 7 K 5.0265 8.4870 124.3178 54.6598 34.5798 175.8429 8 V 4.5250 8.6312 117.4026 59.4838 35.4046 174.3872 9 E 4.8664 8.7615 124.7234 55.0409 30.4285 174.9038 10 L 4.8938 8.8757 127.1956 52.8071 45.6481 175.8291 11 V 4.7567 8.3612 121.2020 61.2163 33.5226 175.0256 12 G 4.2202 8.7883 116.0678 45.4601 0.0000 172.3445 13 T 5.4016 8.1308 111.9977 60.0897 72.0839 172.9277 14 S 4.6845 8.7618 115.7187 57.8067 65.9073 175.3736 15 E 4.4606 8.9327 123.6546 57.5085 29.9926 178.0014 16 E 4.1928 8.6845 119.0196 57.1269 30.2537 176.6172 17 G 3.2918 7.1185 104.1259 44.6550 0.0000 172.7555 18 L 3.7837 7.3727 118.0643 57.7464 41.5594 179.0871 19 E 3.8889 8.0685 117.7746 59.5964 29.4355 179.2365 20 A 3.9320 7.9260 119.7689 54.9297 18.4711 179.3082 21 A 3.9213 7.7737 119.0777 55.3983 18.4738 179.9087 22 I 3.5053 7.6982 118.1595 64.7086 37.1350 178.7309 23 Q 3.8622 8.3277 118.9257 58.6987 28.4347 178.8219 24 A 3.9131 8.1199 121.6447 55.0371 18.3691 179.4762 25 A 3.8575 7.6916 118.6971 55.3968 18.3946 179.8895 26 L 3.8061 7.9399 117.2762 57.8490 41.4248 179.6466 27 A 3.9245 8.1043 120.2401 55.0345 18.6762 179.3937 28 R 3.9271 8.0197 117.1404 59.2457 30.1956 178.2964 29 A 3.8792 8.1086 120.9074 55.4043 17.6228 179.5372 30 R 3.7997 8.2032 117.1349 59.5553 29.7786 178.8753 31 K 4.1610 7.8117 117.5999 58.5381 32.1195 177.7153 32 T 4.5287 7.2755 102.5230 60.4366 70.2804 173.6768 33 L 4.5275 7.7592 122.0406 52.7660 44.1009 175.8904 34 R 4.4977 8.0404 120.8568 55.8316 32.8602 175.1145 35 H 4.2178 8.5983 114.8561 56.7035 25.7824 175.0216 36 L 4.4686 8.1981 118.9239 55.8018 42.0403 175.8735 37 D 5.2001 9.3451 122.8780 55.2678 42.9747 176.3235 38 W 5.5640 7.8904 113.3462 55.1094 31.9879 173.1453 39 F 5.3610 8.3561 114.1045 55.3039 40.8409 173.6096 40 E 4.7441 9.2584 119.2697 54.6308 33.2845 174.9777 41 V 4.3496 8.6104 124.2358 62.6458 31.9178 175.2205 42 K 4.4849 9.3761 127.7760 57.9868 33.4894 176.8444 43 E 4.8430 7.9806 117.0766 54.6716 34.3764 174.3092 44 I 5.0369 8.4359 122.2488 59.8247 39.7789 174.7353 45 A 4.6768 9.0482 127.9629 51.5212 23.2620 174.0531 46 G 4.1388 8.0268 103.8154 46.8527 0.0000 172.8208 47 T 4.8021 8.1072 109.8583 59.8769 71.8558 173.4387 48 I 4.8504 8.2525 122.5757 59.7957 39.9014 175.6542 49 G 4.2553 8.8679 115.9899 44.5388 0.0000 173.1144 50 E 3.8918 8.9793 117.7529 58.9783 29.6824 177.4839 51 A 4.5438 7.7605 118.9662 51.8775 20.4541 176.2710 52 G 4.0327 7.4346 104.6421 44.1019 0.0000 177.1763 53 V 3.7802 8.3316 125.6292 62.9726 31.7843 174.9097 54 K 4.1714 8.7745 129.2307 58.4701 33.3818 175.8655 55 E 4.6711 7.6099 119.3820 54.5365 33.1055 173.5698 56 Y 4.6810 9.0309 125.3481 57.8437 39.7597 174.5668 57 Q 5.0664 9.6694 122.4787 54.1421 32.6624 174.3936 58 V 4.7618 8.8963 124.9136 60.9704 34.3014 174.4865 59 V 4.5532 8.6346 129.5286 62.2644 32.5343 174.7780 60 L 5.3298 9.1922 127.9195 54.1202 44.4207 175.0071 61 E 4.8946 9.1258 120.6626 55.2620 31.6479 175.1397 62 V 4.4658 8.7647 124.7813 61.0189 34.0160 174.2929 63 G 3.2416 7.9805 116.0076 44.0835 0.0000 172.3378 64 F 5.6894 8.4486 118.1336 54.9241 41.9419 173.6275 65 R 4.2042 8.7984 121.3609 56.1987 30.6267 175.9163 66 L 4.4031 8.4155 127.3003 54.1656 42.2527 177.1349 67 E 4.0965 8.8570 123.3106 56.3291 30.1514 176.6397 68 E 4.1979 8.2888 121.2976 56.4894 30.7821 176.8656 69 T 3.5370 8.3971 113.4355 62.4198 67.9380 171.2706 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 G 8.35 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 0.00 0.00 0.00 3 K 8.01 3.69 0.00 1.80 1.37 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.45 7.81 4 V 8.79 4.43 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 1.09 0.00 0.00 0.89 0.00 0.00 5 Y 8.69 5.09 0.00 3.05 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 6 K 8.20 4.55 0.00 1.50 0.74 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.15 1.26 7.81 7 K 8.49 5.03 0.00 1.63 1.62 0.00 2.02 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.08 1.39 7.81 8 V 8.63 4.53 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 0.90 0.00 0.00 1.10 0.00 0.00 9 E 8.76 4.87 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 10 L 8.88 4.89 0.00 1.57 1.48 0.87 0.76 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 11 V 8.36 4.76 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 8.79 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 0.00 0.00 0.00 0.00 13 T 8.13 5.40 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 S 8.76 4.68 0.00 3.91 3.77 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 15 E 8.93 4.46 0.00 2.04 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 2.48 2.31 0.00 16 E 8.68 4.19 0.00 1.94 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 2.34 2.27 0.00 17 G 7.12 3.29 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 0.00 18 L 7.37 3.78 0.00 1.56 1.64 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.07 3.89 0.00 1.98 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 2.39 2.44 0.00 20 A 7.93 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 21 A 7.77 3.92 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 22 I 7.70 3.51 1.86 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 1.42 0.62 0.33 0.00 0.00 23 Q 8.33 3.86 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 24 A 8.12 3.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.86 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 26 L 7.94 3.81 0.00 1.71 1.63 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.10 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 3.93 0.00 1.92 2.02 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.11 3.88 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 30 R 8.20 3.80 0.00 1.98 2.09 0.00 3.08 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 31 K 7.81 4.16 0.00 1.93 1.82 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.55 7.81 32 T 7.28 4.53 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 1.17 0.00 0.00 33 L 7.76 4.53 0.00 1.40 0.88 0.42 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.04 4.50 0.00 1.67 1.49 0.00 3.23 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 35 H 8.60 4.22 0.00 3.55 3.55 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.20 4.47 0.00 1.67 1.67 0.85 0.90 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 37 D 9.35 5.20 0.00 2.98 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 38 W 7.89 5.56 0.00 3.25 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.36 5.36 0.00 3.03 2.95 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 40 E 9.26 4.74 0.00 1.97 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 2.34 2.50 0.00 41 V 8.61 4.35 2.17 0.00 0.00 0.00 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 1.13 0.00 0.00 42 K 9.38 4.48 0.00 1.76 1.86 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.58 7.81 43 E 7.98 4.84 0.00 1.88 1.79 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 2.31 2.35 0.00 44 I 8.44 5.04 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 1.00 0.00 0.00 45 A 9.05 4.68 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 46 G 8.03 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 47 T 8.11 4.80 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 1.18 0.00 0.00 48 I 8.25 4.85 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.93 0.00 0.00 49 G 8.87 4.26 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 0.00 50 E 8.98 3.89 0.00 1.96 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 2.30 2.24 0.00 51 A 7.76 4.54 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 52 G 7.43 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 3.78 1.80 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 -0.29 0.00 0.00 0.68 0.00 0.00 54 K 8.77 4.17 0.00 1.84 1.69 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.35 7.81 55 E 7.61 4.67 0.00 2.08 1.68 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 0.00 2.20 2.27 0.00 56 Y 9.03 4.68 0.00 3.04 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 57 Q 9.67 5.07 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.90 4.76 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 1.03 0.00 0.00 0.96 0.00 0.00 59 V 8.63 4.55 2.11 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 0.75 0.00 0.00 1.00 0.00 0.00 60 L 9.19 5.33 0.00 1.96 1.77 0.91 0.54 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 61 E 9.13 4.89 0.00 1.90 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 2.29 2.43 0.00 62 V 8.76 4.47 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 0.93 0.00 0.00 0.90 0.00 0.00 63 G 7.98 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 0.00 0.00 0.00 64 F 8.45 5.69 0.00 3.35 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.20 0.00 1.98 1.96 0.00 3.13 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.27 0.00 66 L 8.42 4.40 0.00 1.57 1.56 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.86 4.10 0.00 2.00 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 2.37 2.46 0.00 68 E 8.29 4.20 0.00 1.94 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 2.26 2.25 0.00 69 T 8.40 3.54 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