NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3014 8.2644 123.5843 52.2954 19.7816 175.8422 3 R 4.1781 7.5690 124.9936 56.8997 31.5610 174.8330 4 K 3.7844 8.4491 120.6056 59.9258 32.3540 177.6434 5 A 4.0799 7.9440 120.0888 54.2589 18.6237 178.7095 6 L 4.2275 7.9719 119.5963 57.6945 42.4069 178.2814 7 I 3.9821 7.4192 110.7457 62.4393 37.3342 177.3138 8 E 4.0237 8.1141 121.0268 58.4785 29.6251 177.7897 9 K 4.3472 8.1420 116.9438 56.8152 32.7899 178.3088 10 A 3.5646 7.7981 120.6272 54.0835 18.4483 178.4210 11 K 4.1818 7.3036 116.0474 57.7505 33.0182 177.6734 12 R 3.7221 7.8012 118.7057 59.5498 30.5819 178.0761 13 T 3.5444 6.9152 105.2718 62.2458 67.7517 169.0043 14 P 4.3731 0.0000 0.0000 62.9698 32.9471 176.5293 15 K 3.6673 8.8354 113.2734 56.1355 34.0273 175.7092 16 F 3.6940 8.2117 118.1464 58.3570 35.6390 176.1229 17 K 4.0212 8.8365 128.3025 59.9829 32.5451 178.6957 18 V 3.8263 8.0642 112.6925 64.6079 31.5646 178.4697 19 R 4.4627 8.5501 116.4778 56.6271 29.2341 177.3540 20 A 4.5562 8.1772 124.0028 50.5709 18.0045 176.7367 21 Y 4.6384 7.8511 120.3410 55.2653 40.4836 176.7535 22 T 4.1181 8.1695 109.9252 62.9468 70.8153 173.4656 23 R 5.3905 8.6071 133.6105 56.8404 32.1561 174.0136 24 C 3.9406 8.0365 126.3642 59.9334 32.0646 173.8967 25 V 4.2437 8.4886 123.4487 62.7492 31.9138 176.2628 26 R 4.2840 8.0090 118.4270 58.3300 30.6905 174.7381 27 C 4.8321 7.6145 109.9247 56.1708 32.1627 172.9032 28 G 3.3386 8.2502 108.4762 45.0224 0.0000 173.9692 29 R 3.2540 7.6616 118.3522 56.9921 28.2585 176.1023 30 A 4.8199 8.4893 127.1816 51.8081 19.5007 175.8295 31 R 4.6364 7.4966 115.0550 55.5625 34.9240 175.2396 32 S 3.5649 8.2938 110.3178 59.4575 61.4274 170.7619 33 V 4.8056 7.2098 121.2632 61.5581 34.5278 174.9049 34 Y 4.3924 9.1028 125.5414 56.7559 38.1457 176.4474 35 R 3.9880 8.7446 123.3497 59.7308 29.3670 177.5748 36 F 4.0307 8.4703 119.6406 60.6506 39.2801 176.1180 37 F 4.8723 8.5663 114.9062 57.4595 39.8722 177.0398 38 G 4.0513 9.3172 105.9387 45.5935 0.0000 172.4531 39 L 5.0424 7.7553 118.3944 52.0466 45.1798 176.2816 40 C 4.9558 8.4140 117.5603 57.5792 32.0402 174.7644 41 R 4.1241 8.5733 117.2012 59.4131 28.6894 179.0205 42 I 3.8278 7.6318 119.7194 64.0741 37.4018 177.5373 43 C 4.3074 8.3274 118.5912 62.0535 27.9850 176.0463 44 L 3.6918 7.6745 120.8870 58.8835 39.6533 178.8915 45 R 3.7023 7.2102 118.7835 59.9871 29.6342 177.2744 46 E 3.9703 8.6172 118.2864 57.7263 29.1622 179.0586 47 L 3.8534 7.9274 118.7290 58.3185 42.3305 179.4581 48 A 3.8339 8.1242 120.8326 55.7901 17.9517 179.1025 49 H 4.4882 8.5627 113.3519 57.6077 29.0350 177.2431 50 K 4.2363 8.5833 119.7134 56.4960 32.0606 178.7295 51 G 4.0617 7.8943 107.6118 45.9139 0.0000 175.8187 52 Q 4.5605 7.3424 119.0344 55.4070 28.0630 177.6109 53 L 4.7270 8.7518 119.2451 52.0207 43.5246 172.3705 54 P 4.3632 0.0000 0.0000 64.2666 31.8572 176.9870 55 G 4.0413 9.0208 111.4489 45.4194 0.0000 173.6208 56 V 3.9019 7.4313 119.5303 62.4511 32.1521 174.8540 57 R 4.4333 7.9185 124.7630 54.9525 32.7450 174.3992 58 K 3.8987 8.4771 119.8245 56.5004 30.8974 177.2442 59 A 4.3277 8.4542 127.7553 51.8632 17.5487 176.4511 60 S 4.9223 8.1471 117.5089 57.1519 65.4042 174.9732 61 W 4.0738 8.3123 119.7975 57.5066 27.2157 174.2181 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 A 8.26 4.30 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 3 R 7.57 4.18 0.00 1.97 1.92 0.00 3.23 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 4 K 8.45 3.78 0.00 1.91 1.79 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.60 7.81 5 A 7.94 4.08 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 6 L 7.97 4.23 0.00 1.95 1.75 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.42 3.98 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.63 0.99 0.00 0.00 8 E 8.11 4.02 0.00 2.19 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 0.00 2.41 2.46 0.00 9 K 8.14 4.35 0.00 1.92 1.91 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.47 7.81 10 A 7.80 3.56 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 11 K 7.30 4.18 0.00 1.83 1.80 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.44 7.81 12 R 7.80 3.72 0.00 2.05 1.98 0.00 3.31 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 13 T 6.92 3.54 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 1.19 0.00 0.00 14 P 0.00 4.37 0.00 2.12 1.90 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 15 K 8.84 3.67 0.00 1.67 1.74 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.50 1.50 7.81 16 F 8.21 3.69 0.00 3.27 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 17 K 8.84 4.02 0.00 1.89 2.03 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.56 7.81 18 V 8.06 3.83 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 0.73 0.00 0.00 0.99 0.00 0.00 19 R 8.55 4.46 0.00 2.17 2.09 0.00 3.34 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 20 A 8.18 4.56 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 21 Y 7.85 4.64 0.00 3.13 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 22 T 8.17 4.12 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 1.23 0.00 0.00 23 R 8.61 5.39 0.00 1.84 1.85 0.00 3.40 0.00 0.00 3.60 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 24 C 8.04 3.94 0.00 3.04 3.16 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 25 V 8.49 4.24 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 0.82 0.00 0.00 1.00 0.00 0.00 26 R 8.01 4.28 0.00 1.83 1.95 0.00 3.24 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 27 C 7.61 4.83 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 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 0.00 0.00 0.00 29 R 7.66 3.25 0.00 2.01 1.99 0.00 3.23 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 30 A 8.49 4.82 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 31 R 7.50 4.64 0.00 1.76 1.79 0.00 3.35 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 32 S 8.29 3.56 0.00 4.07 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 33 V 7.21 4.81 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 1.03 0.00 0.00 1.01 0.00 0.00 34 Y 9.10 4.39 0.00 3.40 3.22 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 35 R 8.74 3.99 0.00 2.01 2.16 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 36 F 8.47 4.03 0.00 3.06 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 37 F 8.57 4.87 0.00 3.25 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 38 G 9.32 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 0.00 0.00 0.00 39 L 7.76 5.04 0.00 1.67 1.58 0.87 0.91 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 40 C 8.41 4.96 0.00 3.22 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 41 R 8.57 4.12 0.00 2.23 2.42 0.00 2.81 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 42 I 7.63 3.83 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.91 0.93 0.00 0.00 43 C 8.33 4.31 0.00 2.97 2.99 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 44 L 7.67 3.69 0.00 1.36 1.73 0.39 -0.29 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 45 R 7.21 3.70 0.00 1.81 2.15 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 46 E 8.62 3.97 0.00 2.27 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 47 L 7.93 3.85 0.00 1.54 1.71 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.12 3.83 1.13 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 0.00 0.00 49 H 8.56 4.49 0.00 3.15 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.58 4.24 0.00 1.77 1.84 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.59 7.81 51 G 7.89 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 52 Q 7.34 4.56 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 53 L 8.75 4.73 0.00 1.57 1.59 0.67 0.44 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 54 P 0.00 4.36 0.00 2.10 2.08 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 55 G 9.02 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 0.00 0.00 0.00 56 V 7.43 3.90 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 0.64 0.00 0.00 1.18 0.00 0.00 57 R 7.92 4.43 0.00 1.77 1.75 0.00 3.31 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 58 K 8.48 3.90 0.00 1.81 1.83 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.41 7.81 59 A 8.45 4.33 1.47 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 0.00 0.00 0.00 60 S 8.15 4.92 0.00 3.93 3.81 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 61 W 8.31 4.07 0.00 3.32 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