NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.3293 8.3444 121.7137 56.1219 30.0890 176.8612 7 S 4.3517 7.4070 112.1880 55.1695 62.9720 169.3159 8 S 3.9338 8.1357 117.1246 57.3142 63.9498 173.9789 9 A 4.6984 8.4844 129.3219 52.5025 19.8144 175.8071 10 C 4.9122 8.0355 115.0596 56.6514 43.3441 174.0023 11 C 4.5975 8.1500 118.5380 55.6777 40.9239 174.1105 12 F 4.1903 8.4384 122.3772 58.0535 39.6976 175.4589 13 A 4.3871 7.4454 120.9112 50.9548 21.8864 174.5506 14 Y 5.1222 7.8850 116.7992 55.7034 40.5703 176.1581 15 I 3.8637 8.6342 123.9992 61.4022 38.8482 175.9383 16 A 4.2642 8.7597 130.2269 54.7303 18.9400 177.7745 17 R 4.2055 7.5989 114.4947 54.0703 31.2236 174.2125 18 P 2.0000 0.0000 0.0000 61.9255 31.6648 176.2408 19 L 4.1072 7.1157 121.2917 53.4479 42.5828 175.2553 20 P 4.1631 0.0000 0.0000 62.5330 31.6653 177.2548 21 R 3.1268 8.8232 123.9880 59.2730 29.9038 178.1334 22 A 4.0444 7.6790 118.7479 54.8321 18.6840 177.6810 23 H 4.5482 8.2961 112.3238 56.8242 29.2260 174.8088 24 I 4.8353 7.2760 121.2675 59.5205 38.4398 175.3583 25 K 4.6232 8.8576 123.6185 57.6165 34.8200 175.4391 26 E 5.0893 8.1333 118.6227 55.8593 34.4443 173.0896 27 Y 5.3975 8.2796 117.7822 56.5029 41.1831 173.7205 28 F 4.6936 8.3332 113.7356 56.2802 41.6222 172.4326 29 Y 4.9873 8.7354 117.5514 56.5892 39.6356 175.9241 30 T 4.4200 8.4296 113.3635 61.1112 70.2667 174.3779 31 S 4.2848 8.7122 116.6384 58.1965 62.9400 175.3273 32 G 3.7932 8.5285 113.6582 47.6295 0.0000 175.1190 33 K 4.0914 8.2535 119.7651 59.2773 31.6012 177.3106 34 C 4.4472 8.0723 116.8778 56.7207 40.5985 175.0389 35 S 4.2309 8.7072 119.6941 60.7603 62.7443 174.5105 36 N 5.0925 7.2570 116.6380 50.5946 41.3540 172.5492 37 P 4.5473 0.0000 0.0000 62.6601 32.6219 175.2456 38 A 4.4181 7.9637 119.9636 51.4604 22.5546 175.0578 39 V 3.9938 7.7761 119.3388 60.7449 34.3595 174.6798 40 V 4.3607 7.9096 126.8969 60.9593 33.8440 174.1061 41 F 5.2242 9.0314 127.1920 56.2284 41.2657 174.8240 42 V 4.9369 9.0630 123.6348 61.5800 33.5215 175.4171 43 T 5.0346 8.9185 118.7505 60.4438 70.7982 176.0673 44 R 4.1545 8.8644 121.0091 58.2428 30.0352 177.9304 45 K 4.3817 7.9280 115.9172 55.6051 32.3591 175.7556 46 N 4.3411 8.5181 115.3076 54.3051 36.5036 174.1123 47 R 4.4037 7.8639 118.2270 55.9352 31.8562 174.9114 48 Q 5.1287 8.7104 124.0633 54.2777 30.9016 174.9476 49 V 4.4958 8.7901 124.8880 61.0562 34.3146 174.2460 50 C 5.0907 8.9124 124.9429 57.1818 41.0784 172.3865 51 A 5.0695 8.8178 122.8025 50.3582 23.1917 175.1334 52 N 3.3318 8.0652 118.7338 51.6260 38.9700 174.4149 53 P 4.0745 0.0000 0.0000 65.0880 31.4728 177.2562 54 E 4.0494 8.3324 118.3078 58.0680 29.9773 177.9155 55 K 4.0735 7.4899 119.6687 55.3895 33.8306 177.6315 56 K 3.8443 8.5596 124.6694 59.4988 32.2660 179.1505 57 W 4.3472 8.1479 116.4194 59.5339 27.8379 178.3064 58 V 2.8896 6.4101 118.4424 65.5672 30.9277 178.1326 59 R 3.8546 7.7380 117.8209 59.1818 29.7766 178.9333 60 E 4.0305 8.6301 118.9122 59.5868 29.4544 178.9544 61 Y 4.2527 8.3350 116.8479 61.1630 37.8746 178.7578 62 I 3.3925 7.8423 120.6374 64.4847 37.1934 178.1855 63 N 4.3100 8.2863 117.3044 56.3763 38.3095 177.4957 64 S 4.1062 8.4205 114.6957 61.4399 62.3417 176.2498 65 L 4.1141 8.3435 120.7091 57.8530 41.3349 179.0207 66 E 4.2038 8.3177 118.4873 59.2176 29.5650 178.3831 67 M 4.1456 7.5968 118.2311 57.3095 32.3610 176.7289 68 S 4.6179 7.6741 116.0948 58.6305 64.7473 175.4834 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 Q 8.34 4.33 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.18 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 7 S 7.41 4.35 0.00 3.89 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 3.93 0.00 3.97 3.84 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 9 A 8.48 4.70 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 10 C 8.04 4.91 0.00 2.46 2.61 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 0.00 0.00 0.00 11 C 8.15 4.60 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 12 F 8.44 4.19 0.00 3.01 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 13 A 7.45 4.39 1.19 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 0.00 0.00 0.00 14 Y 7.88 5.12 0.00 3.01 2.81 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 15 I 8.63 3.86 2.05 0.00 0.00 0.93 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 0.69 1.32 0.00 0.00 16 A 8.76 4.26 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 17 R 7.60 4.21 0.00 1.69 1.73 0.00 3.18 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 18 P 0.00 2.00 0.00 1.35 0.49 0.00 3.29 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 19 L 7.12 4.11 0.00 1.71 1.61 1.16 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.16 0.00 1.65 1.72 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 21 R 8.82 3.13 0.00 1.31 1.70 0.00 2.40 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.00 22 A 7.68 4.04 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 23 H 8.30 4.55 0.00 3.37 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.28 4.84 1.75 0.00 0.00 0.54 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 0.50 1.15 0.00 0.00 25 K 8.86 4.62 0.00 1.77 1.94 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.46 7.81 26 E 8.13 5.09 0.00 2.04 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 2.38 2.40 0.00 27 Y 8.28 5.40 0.00 2.56 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 28 F 8.33 4.69 0.00 3.02 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 29 Y 8.74 4.99 0.00 2.87 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 4.42 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 S 8.71 4.28 0.00 3.89 3.79 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 0.00 0.00 0.00 32 G 8.53 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.25 4.09 0.00 1.73 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.42 7.81 34 C 8.07 4.45 0.00 3.16 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 35 S 8.71 4.23 0.00 3.84 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 36 N 7.26 5.09 0.00 2.77 2.69 0.00 0.00 7.06 7.90 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 37 P 0.00 4.55 0.00 2.10 2.04 0.00 3.79 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 2.06 2.11 0.00 38 A 7.96 4.42 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 39 V 7.78 3.99 1.35 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 -0.20 0.00 0.00 -0.27 0.00 0.00 40 V 7.91 4.36 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.63 0.00 0.00 41 F 9.03 5.22 0.00 3.20 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 42 V 9.06 4.94 2.24 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 1.18 0.00 0.00 1.16 0.00 0.00 43 T 8.92 5.03 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 1.31 0.00 0.00 44 R 8.86 4.15 0.00 1.81 2.04 0.00 3.20 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 45 K 7.93 4.38 0.00 1.74 1.83 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 46 N 8.52 4.34 0.00 2.86 2.97 0.00 0.00 6.82 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 47 R 7.86 4.40 0.00 1.96 1.84 0.00 3.09 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 48 Q 8.71 5.13 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.45 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 49 V 8.79 4.50 2.28 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 1.20 0.00 0.00 1.04 0.00 0.00 50 C 8.91 5.09 0.00 3.12 3.09 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 0.00 0.00 0.00 0.00 51 A 8.82 5.07 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.07 3.33 0.00 1.73 2.22 0.00 0.00 6.72 7.71 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 53 P 0.00 4.07 0.00 2.23 1.99 0.00 3.37 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 54 E 8.33 4.05 0.00 1.95 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 2.28 2.19 0.00 55 K 7.49 4.07 0.00 1.29 1.37 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.44 7.81 56 K 8.56 3.84 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.33 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.51 7.81 57 W 8.15 4.35 0.00 3.16 3.11 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 0.00 0.00 0.00 0.00 58 V 6.41 2.89 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 0.62 0.00 0.00 -0.90 0.00 0.00 59 R 7.74 3.85 0.00 1.96 1.91 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 60 E 8.63 4.03 0.00 2.24 2.15 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 2.38 2.51 0.00 61 Y 8.34 4.25 0.00 3.16 2.90 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 62 I 7.84 3.39 1.87 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.38 0.54 0.00 0.00 63 N 8.29 4.31 0.00 2.94 2.89 0.00 0.00 6.73 6.68 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 64 S 8.42 4.11 0.00 3.89 4.08 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 0.00 0.00 0.00 0.00 65 L 8.34 4.11 0.00 1.92 1.97 1.30 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.32 4.20 0.00 2.17 2.03 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 2.62 2.56 0.00 67 M 7.60 4.15 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 68 S 7.67 4.62 0.00 3.97 3.85 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