NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.2361 8.1701 112.8957 60.7470 70.1296 173.9294 7 A 4.4058 7.9864 128.9473 48.7357 18.8245 173.9500 8 F 4.9276 7.4898 119.8279 56.6034 41.2676 175.1038 9 S 4.5356 9.1382 120.4350 57.6441 65.1649 175.7351 10 S 4.1042 8.4775 116.9389 61.5981 62.6419 176.2641 11 E 3.8974 8.1166 121.6699 59.2388 29.2743 179.1381 12 Q 3.8055 7.9004 117.8680 58.8110 28.7019 178.7500 13 L 3.5963 7.9811 121.0453 58.0678 42.1749 178.8949 14 A 3.9311 8.0841 120.8066 55.0311 18.2107 179.6022 15 R 3.7937 7.9925 117.2717 59.4747 30.1237 178.7626 16 L 3.7334 7.6286 118.7706 57.6049 41.3243 179.7008 17 K 4.2802 8.0241 118.5594 59.3588 31.8207 179.3863 18 R 3.9198 8.0956 118.9571 59.5615 30.0727 178.3521 19 E 4.0919 8.6003 118.7571 59.5806 29.2937 179.1496 20 F 4.1827 8.6338 119.9172 61.3627 39.4742 176.4506 21 N 4.4910 8.4541 115.8703 56.1289 38.7475 176.1301 22 E 4.4411 7.6329 119.2812 57.3336 30.0935 176.4290 23 N 4.4918 7.7713 115.6372 52.9799 41.7199 173.9110 24 R 3.9159 8.4819 121.7581 56.3574 29.8988 175.5643 25 Y 4.7675 8.0899 116.0907 56.2792 40.7082 174.8397 26 L 4.5672 8.3321 122.3553 53.0218 44.2048 177.3778 27 T 4.4309 8.2305 116.2128 61.1677 71.5626 176.3495 28 E 3.9582 8.5637 120.5319 61.4702 29.6631 179.7620 29 R 4.0807 7.8855 118.7913 58.9852 30.1625 178.9418 30 R 3.8338 7.8233 118.2342 59.3750 30.0094 178.3510 31 R 3.7867 8.2186 118.7786 59.6280 30.1215 178.3690 32 Q 3.9627 8.1760 117.7510 59.1280 28.6430 178.8033 33 Q 3.9641 8.4385 120.8913 59.1215 29.0600 178.2595 34 L 3.9452 8.3200 120.5649 57.5942 41.7741 179.1631 35 S 4.3737 8.1137 114.6029 60.9776 62.0627 176.5947 36 S 4.1204 7.7099 116.1203 61.7562 62.6811 176.3039 37 E 4.0999 8.1601 120.2546 58.8969 29.3201 178.6199 38 L 4.3160 8.5129 117.3264 54.1120 42.1010 177.1805 39 G 3.8881 7.8523 106.2038 46.4246 0.0000 173.2766 40 L 4.7923 7.4942 118.5466 51.9189 44.4306 176.2659 41 N 4.6845 8.4779 120.0994 52.7909 39.3539 176.0959 42 E 3.9778 8.7700 121.1935 59.5407 29.4954 179.6165 43 A 4.0242 7.9759 120.2946 55.3323 18.6062 179.3268 44 Q 4.1231 8.7884 116.9519 59.3859 28.7770 179.5621 45 I 3.9034 7.7303 120.4704 64.2823 37.2233 178.1824 46 K 3.9748 8.4408 120.8198 59.8259 31.9529 178.8192 47 I 3.8198 8.2803 120.1840 64.0550 36.9625 178.1615 48 W 4.1470 8.5542 129.2358 60.5757 30.5275 177.8931 49 F 3.8712 8.9944 117.7285 60.6506 38.3318 177.4617 50 Q 4.0345 8.2705 117.4602 59.3318 28.4815 178.8416 51 N 4.1801 8.1618 117.1877 56.3382 38.1088 177.1014 52 E 3.2480 7.7490 120.7814 59.0229 29.2205 179.1230 53 R 3.9112 7.9575 117.2051 59.1925 30.2025 178.6611 54 A 4.1095 7.9727 119.8627 55.0084 18.1263 179.3186 55 K 3.9873 7.9570 120.3036 59.9882 31.8905 179.9693 56 I 3.7259 7.3234 122.9833 65.7242 35.5240 178.5843 57 K 4.4045 7.5077 124.0864 54.8263 31.6358 179.5084 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 6 T 8.17 4.24 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 7 A 7.99 4.41 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 8 F 7.49 4.93 0.00 2.96 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.14 4.54 0.00 4.15 4.02 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 10 S 8.48 4.10 0.00 4.07 4.17 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 11 E 8.12 3.90 0.00 2.04 2.00 0.00 0.00 0.00 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 2.45 0.00 12 Q 7.90 3.81 0.00 2.24 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 13 L 7.98 3.60 0.00 1.77 1.79 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.08 3.93 1.34 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 15 R 7.99 3.79 0.00 1.86 1.94 0.00 3.13 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 1.56 1.65 0.00 16 L 7.63 3.73 0.00 0.75 0.13 -0.39 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.02 4.28 0.00 1.82 1.95 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.72 1.70 7.81 18 R 8.10 3.92 0.00 2.00 2.09 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 19 E 8.60 4.09 0.00 2.40 2.30 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 2.56 2.55 0.00 20 F 8.63 4.18 0.00 3.00 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 21 N 8.45 4.49 0.00 2.92 3.11 0.00 0.00 7.23 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 22 E 7.63 4.44 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 23 N 7.77 4.49 0.00 2.68 2.72 0.00 0.00 7.27 7.15 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 24 R 8.48 3.92 0.00 0.69 0.66 0.00 2.89 0.00 0.00 2.98 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 0.00 25 Y 8.09 4.77 0.00 2.97 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 26 L 8.33 4.57 0.00 1.44 1.37 0.54 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.23 4.43 4.23 0.00 0.00 0.00 0.00 0.00 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 28 E 8.56 3.96 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.98 0.00 29 R 7.89 4.08 0.00 1.83 1.99 0.00 3.09 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 30 R 7.82 3.83 0.00 1.88 1.99 0.00 3.09 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 31 R 8.22 3.79 0.00 1.92 2.03 0.00 3.39 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 Q 8.18 3.96 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 33 Q 8.44 3.96 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 34 L 8.32 3.95 0.00 1.67 1.67 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.11 4.37 0.00 3.87 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 36 S 7.71 4.12 0.00 4.07 3.90 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 37 E 8.16 4.10 0.00 1.90 1.98 0.00 0.00 0.00 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 2.57 0.00 38 L 8.51 4.32 0.00 1.52 1.56 0.74 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.85 3.89 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 0.00 0.00 0.00 40 L 7.49 4.79 0.00 1.61 1.52 0.36 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.48 4.68 0.00 2.94 2.98 0.00 0.00 6.23 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.77 3.98 0.00 2.05 2.06 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 2.40 2.39 0.00 43 A 7.98 4.02 1.36 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 0.00 0.00 44 Q 8.79 4.12 0.00 2.40 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 45 I 7.73 3.90 2.05 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 1.37 0.72 1.05 0.00 0.00 46 K 8.44 3.97 0.00 1.92 2.06 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.56 7.81 47 I 8.28 3.82 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.98 0.00 0.00 48 W 8.55 4.15 0.00 3.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.99 3.87 0.00 3.30 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 50 Q 8.27 4.03 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 51 N 8.16 4.18 0.00 2.70 2.68 0.00 0.00 6.75 7.21 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 52 E 7.75 3.25 0.00 1.16 1.12 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 1.47 1.47 0.00 53 R 7.96 3.91 0.00 1.97 1.97 0.00 2.77 0.00 0.00 2.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 54 A 7.97 4.11 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 55 K 7.96 3.99 0.00 1.78 1.73 0.00 1.43 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.45 7.81 56 I 7.32 3.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.91 0.00 0.00 57 K 7.51 4.40 0.00 1.78 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.25 7.81