NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1600 8.3101 121.7897 56.1225 34.0781 175.3116 20 A 4.3858 7.3140 115.9648 50.7664 19.7249 172.6034 21 K 4.0372 7.9715 120.5628 56.7970 33.5212 176.6082 22 V 3.9096 8.0251 122.2147 63.5378 31.6278 176.4912 23 K 4.3006 7.8857 119.8313 59.0845 32.3436 177.2970 24 A 4.7766 7.8534 119.4797 52.5952 19.3459 177.2764 25 T 4.4611 7.9325 115.9238 65.0271 70.2246 174.6972 26 L 5.1218 7.5691 121.6917 53.4448 45.1311 174.8694 27 G 4.1228 8.1214 112.8804 46.2888 0.0000 175.8666 28 E 4.3344 8.9999 127.0439 54.8171 28.0820 174.7546 29 F 4.8721 8.0628 117.6441 54.5007 40.4393 174.6826 30 D 4.4160 8.7183 124.3332 53.4031 41.3132 176.4682 31 L 4.6166 8.0589 131.4873 56.0530 40.5342 176.8562 32 R 4.5292 8.0541 116.3653 56.4888 32.0373 173.9565 33 D 4.7193 7.8559 117.4571 53.7913 41.9439 175.7053 34 Y 4.9485 7.7828 125.4777 57.0397 38.6877 176.6627 35 R 4.5426 8.0072 119.3215 56.7862 33.3899 177.2252 36 N 4.7395 7.7397 116.3835 52.1622 33.4008 175.7170 37 V 3.6623 7.7206 120.3638 65.5185 31.9779 177.8375 38 E 3.7275 8.0363 116.8838 59.0851 29.2682 179.1822 39 V 3.4847 7.6068 117.9056 65.8368 31.7152 177.8152 40 L 4.3299 7.9610 118.4984 58.0214 41.4090 179.3772 41 K 3.7813 8.3758 118.6307 59.4562 31.9561 176.9479 42 R 4.0621 6.9768 115.0059 56.7429 29.8442 176.1448 43 F 5.1820 8.6224 115.0285 57.5033 40.0107 176.1291 44 L 5.9068 7.7939 118.9563 55.4703 42.8504 176.1151 45 S 3.2375 7.7341 113.2009 59.8891 64.2677 172.6187 46 E 4.6761 8.7735 123.3738 56.6752 30.1142 176.2403 47 T 4.5107 8.3701 109.8089 61.0837 70.3459 175.7298 48 G 4.0273 7.8448 109.1225 44.7783 0.0000 173.7352 49 K 4.3242 7.6631 119.0884 55.7058 33.6727 176.4635 50 I 4.0755 8.2236 124.1449 61.6085 37.6444 175.6805 51 L 4.5127 8.2493 127.0864 53.2944 42.8580 176.1490 52 P 4.4946 0.0000 0.0000 62.9988 33.2510 177.1747 53 R 4.0784 8.4591 115.2751 59.1237 29.8966 178.9263 54 R 3.9032 7.9539 116.7657 58.9080 29.7335 175.9092 55 R 4.5404 7.7001 114.2586 57.8076 33.1069 177.8814 56 T 3.9151 8.5653 108.9229 63.0848 69.1397 174.3616 57 G 3.9362 7.8689 108.8623 45.7610 0.0000 171.3588 58 L 4.9569 7.3467 121.0985 51.7209 45.5982 176.6042 59 S 4.3286 8.4655 113.2862 58.0295 64.1623 174.8201 60 A 3.9619 8.4266 126.2511 55.2782 18.0185 179.8710 61 K 3.8768 7.9895 117.4839 59.5919 32.2381 178.5063 62 E 3.8575 8.0119 118.3060 59.5885 29.5502 178.6146 63 Q 3.9761 8.1104 119.3477 60.1536 28.9185 178.4699 64 R 3.8906 7.9533 118.3481 59.4521 30.0951 178.7912 65 I 3.7582 7.9872 113.1805 63.9065 37.5018 177.9137 66 L 3.8108 8.1970 122.7521 57.8517 41.8942 178.2914 67 A 3.9234 8.0273 120.4458 55.3315 18.3635 179.7140 68 K 3.8655 7.8172 116.3752 59.8385 32.1991 179.6609 69 T 3.8818 7.7103 109.4479 64.9948 68.6748 176.3113 70 I 3.7232 8.0721 123.1475 63.9656 37.0692 178.5251 71 K 3.8238 8.0987 119.1439 59.4603 31.9435 179.1749 72 R 3.7943 7.7675 118.0040 59.4912 30.0229 178.4797 73 A 4.1055 8.0457 120.0229 55.7088 18.4022 179.9384 74 R 3.8241 7.9842 116.1061 59.2341 29.7519 179.3010 75 I 3.9266 7.5700 118.7019 64.5346 37.3574 178.1325 76 L 4.2997 7.8122 116.1892 55.3448 41.3662 178.1274 77 G 3.9854 7.8551 107.1557 46.0088 0.0000 173.9490 78 L 4.5506 7.7624 117.6813 53.9685 41.6298 176.4355 79 L 4.4414 7.1885 115.4408 53.2590 45.2536 172.9375 80 P 4.5446 0.0000 0.0000 62.8243 31.9022 176.6530 81 F 4.2440 8.6497 119.3020 59.0283 39.7938 176.3145 82 T 4.5914 7.2451 113.7495 63.0618 71.5292 172.1646 83 E 4.8349 9.2112 122.4356 54.7355 33.1679 174.7178 84 K 4.5051 8.4861 119.8222 54.8695 33.5340 176.7729 85 L 3.9648 8.5550 125.7236 55.1222 42.6409 176.8457 86 V 4.0366 8.0077 124.1024 61.6686 31.9548 171.1079 87 R 4.0783 8.7023 133.7715 55.7013 30.8786 175.8935 88 K 4.1613 8.4925 124.5375 56.5657 32.4957 175.3134 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 19 K 8.31 4.16 0.00 1.72 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.31 4.39 1.24 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 21 K 7.97 4.04 0.00 1.82 1.80 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.40 7.81 22 V 8.03 3.91 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 0.59 0.00 0.00 1.04 0.00 0.00 23 K 7.89 4.30 0.00 1.97 1.89 0.00 1.92 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.53 7.81 24 A 7.85 4.78 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 25 T 7.93 4.46 4.16 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 1.14 0.00 0.00 26 L 7.57 5.12 0.00 1.49 1.38 0.05 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.12 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 4.33 0.00 2.01 1.95 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 2.30 2.32 0.00 29 F 8.06 4.87 0.00 3.14 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 30 D 8.72 4.42 0.00 2.75 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 31 L 8.06 4.62 0.00 1.88 2.00 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.05 4.53 0.00 1.77 2.28 0.00 3.32 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 33 D 7.86 4.72 0.00 2.64 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 34 Y 7.78 4.95 0.00 3.11 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 35 R 8.01 4.54 0.00 1.72 1.87 0.00 3.06 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 0.00 36 N 7.74 4.74 0.00 3.00 3.00 0.00 0.00 6.81 7.55 0.00 0.00 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 V 7.72 3.66 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 1.05 0.00 0.00 0.93 0.00 0.00 38 E 8.04 3.73 0.00 1.90 1.95 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 2.28 2.34 0.00 39 V 7.61 3.48 2.25 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 0.89 0.00 0.00 0.92 0.00 0.00 40 L 7.96 4.33 0.00 1.81 1.84 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.38 3.78 0.00 1.74 1.83 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 42 R 6.98 4.06 0.00 1.55 1.27 0.00 3.01 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 43 F 8.62 5.18 0.00 3.24 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 44 L 7.79 5.91 0.00 1.84 1.57 1.04 1.13 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 45 S 7.73 3.24 0.00 4.05 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 46 E 8.77 4.68 0.00 1.94 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 2.19 2.19 0.00 47 T 8.37 4.51 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 1.22 0.00 0.00 48 G 7.84 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 49 K 7.66 4.32 0.00 1.74 1.74 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.48 7.81 50 I 8.22 4.08 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.88 0.00 0.00 51 L 8.25 4.51 0.00 1.71 1.65 0.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.49 0.00 2.34 2.23 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 53 R 8.46 4.08 0.00 1.88 2.01 0.00 3.16 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.70 0.00 54 R 7.95 3.90 0.00 1.78 2.06 0.00 3.15 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 55 R 7.70 4.54 0.00 1.83 1.89 0.00 3.31 0.00 0.00 3.40 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 56 T 8.57 3.92 4.33 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 1.40 0.00 0.00 57 G 7.87 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 0.00 0.00 0.00 58 L 7.35 4.96 0.00 1.57 1.66 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.47 4.33 0.00 3.96 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 60 A 8.43 3.96 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 61 K 7.99 3.88 0.00 1.82 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 62 E 8.01 3.86 0.00 2.22 1.94 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 2.36 2.34 0.00 63 Q 8.11 3.98 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 64 R 7.95 3.89 0.00 2.11 1.87 0.00 3.17 0.00 0.00 3.20 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 65 I 7.99 3.76 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.90 0.00 0.00 66 L 8.20 3.81 0.00 1.60 1.70 0.68 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.03 3.92 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 68 K 7.82 3.87 0.00 1.82 1.85 0.00 1.53 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 69 T 7.71 3.88 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 1.36 0.00 0.00 70 I 8.07 3.72 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.98 0.89 0.00 0.00 71 K 8.10 3.82 0.00 1.95 1.81 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.54 7.81 72 R 7.77 3.79 0.00 1.93 1.73 0.00 2.81 0.00 0.00 2.59 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 73 A 8.05 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.98 3.82 0.00 1.63 0.86 0.00 2.87 0.00 0.00 2.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.41 0.00 75 I 7.57 3.93 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.76 0.96 0.00 0.00 76 L 7.81 4.30 0.00 1.86 1.80 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.86 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 0.00 0.00 0.00 78 L 7.76 4.55 0.00 1.72 1.73 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.19 4.44 0.00 1.57 1.45 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.54 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 81 F 8.65 4.24 0.00 3.01 3.14 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 82 T 7.25 4.59 4.33 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 1.25 0.00 0.00 83 E 9.21 4.83 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 2.33 2.28 0.00 84 K 8.49 4.51 0.00 1.67 1.77 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.38 7.81 85 L 8.55 3.96 0.00 1.59 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.01 4.04 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 0.87 0.00 0.00 0.99 0.00 0.00 87 R 8.70 4.08 0.00 2.00 1.99 0.00 3.23 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 88 K 8.49 4.16 0.00 1.70 1.60 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.39 7.81