NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2725 8.2649 123.5823 51.7400 20.8188 177.8209 3 K 4.2446 7.7917 118.6429 54.8130 31.4349 175.0268 4 E 4.7248 8.0195 122.7471 54.8939 31.3944 172.4265 5 P 4.6673 0.0000 0.0000 62.4849 32.6241 176.4305 6 C 3.8891 7.9821 115.8175 60.1612 29.8832 174.1913 7 V 3.7189 7.4806 122.0986 65.0101 31.3020 178.0156 8 E 4.1234 8.2418 118.6473 58.7772 29.0928 179.0792 9 S 4.2106 8.1214 115.0785 61.3648 62.9229 176.5271 10 L 4.3969 7.7037 123.0161 56.7819 41.6817 179.3310 11 V 3.8659 7.7040 117.8678 66.3183 31.7753 178.1449 12 S 4.3742 8.3345 114.7856 61.7988 62.4107 176.8145 13 Q 4.2043 8.0174 120.9908 58.9347 27.9345 177.9439 14 Y 3.9595 8.0927 120.7024 60.5806 37.3070 177.7011 15 F 4.2822 8.2188 116.5097 59.4112 38.8628 177.1929 16 Q 4.5653 7.9081 120.5461 58.1071 28.5293 177.7948 17 T 3.9473 7.4143 116.2732 66.0515 68.5420 176.4315 18 V 3.8841 7.0910 117.6106 63.2325 31.5421 178.2374 19 T 4.0374 7.5734 117.4199 66.5957 68.1081 175.3919 20 D 4.8396 7.6346 119.3149 54.8561 41.0832 176.7019 21 Y 4.6418 7.8729 119.8415 58.0703 39.2781 176.3869 22 G 3.8190 7.7661 105.0430 45.7210 0.0000 175.2537 23 K 3.9406 7.9347 119.9442 59.3291 31.8097 177.6621 24 D 4.7713 8.0320 116.1458 53.2685 39.6771 176.7621 25 L 4.4282 6.9489 118.7856 54.2365 41.8334 178.1138 26 M 4.5649 7.2487 115.0196 54.5687 33.8037 171.2336 27 E 4.7566 7.9062 127.1087 56.5464 36.6971 177.7354 28 K 4.0838 7.7348 119.1719 58.5867 32.5970 178.6976 29 V 3.7170 7.6436 117.3597 65.3391 31.8446 177.3331 30 K 4.1997 7.7582 118.3982 57.9280 31.9000 179.0483 31 S 4.0565 7.6838 114.2115 60.8689 62.2436 173.8432 32 P 4.5617 0.0000 0.0000 63.8518 31.0148 176.9009 33 E 4.6301 7.9834 117.0789 56.9216 31.4537 176.5152 34 L 4.4878 7.9245 115.7197 54.8076 43.7083 176.3461 35 Q 4.0661 7.2687 118.1914 57.2065 29.2636 176.6010 36 A 3.8960 7.3695 124.0253 54.8334 19.2749 178.3382 37 E 4.3026 7.7094 121.1767 54.5620 28.8982 175.5206 38 A 3.2765 7.6547 122.8808 52.1594 23.6851 179.0217 39 K 4.3419 7.8485 114.6365 58.9407 32.1729 179.4897 40 S 4.5461 7.8216 115.6118 60.7649 62.7356 175.9110 41 Y 4.1125 7.4732 121.0855 61.1183 37.0337 178.3523 42 F 4.6749 7.5184 119.8268 59.8558 38.8205 177.3754 43 E 4.1240 8.1765 118.4521 59.1323 28.9762 178.8162 44 K 4.1587 8.6229 121.0528 58.9771 32.1068 179.2451 45 S 4.0246 7.7881 113.2522 61.5423 62.9001 176.7311 46 K 4.1996 7.9214 121.2650 58.6078 31.3474 178.5659 47 E 4.2750 8.1492 117.5724 57.7581 29.1624 177.8927 48 Q 4.5606 7.5360 116.7821 55.6726 31.4229 177.6577 49 L 4.0913 7.8436 119.1187 58.2167 42.3692 178.6998 50 T 4.0506 7.9218 115.7119 66.2417 68.4654 175.0350 51 P 4.2946 0.0000 0.0000 65.4722 31.1313 178.4596 52 L 4.1340 7.3072 117.4632 58.2726 40.4636 178.7384 53 I 4.0672 7.5467 119.4076 62.2460 37.2980 176.2504 54 K 4.6337 7.7346 120.3873 55.7709 32.8691 178.6072 55 K 3.8841 8.2222 122.2733 59.4605 32.5653 178.1744 56 A 4.0299 8.0289 120.2620 53.5059 18.6513 179.0765 57 G 3.6331 7.6850 105.2823 48.2488 0.0000 174.6395 58 T 4.2983 7.3527 110.5833 61.1980 67.0396 173.5702 59 E 4.2409 6.9667 117.3417 57.8727 31.8127 177.5384 60 L 4.3157 7.4792 117.7568 57.8229 42.3384 179.5916 61 V 3.5322 7.6587 118.2408 66.0884 29.9665 177.8534 62 N 3.9935 7.2371 116.0371 55.7645 38.0949 177.4700 63 F 3.9342 7.1450 119.3113 60.1636 39.0781 177.4061 64 L 3.9541 7.1982 117.2719 58.0892 41.2292 179.6775 65 S 4.1365 7.0095 109.3428 61.5121 62.4029 175.4146 66 Y 4.5855 7.2497 117.5443 59.7736 37.6890 175.7293 67 F 5.2413 7.5345 117.9947 58.0100 38.2549 176.7354 68 V 4.3380 7.9474 119.6966 64.6559 33.6536 177.2532 69 E 4.1148 8.4066 116.8991 58.1852 29.6187 176.7536 70 L 4.6529 8.6581 118.1189 52.9767 43.4829 174.7506 71 G 3.0613 8.4768 111.4365 44.9114 0.0000 171.7671 *73 Q 4.0515 7.6195 123.5407 54.8342 30.2245 173.7291 74 P 4.2023 0.0000 0.0000 63.3730 31.4540 174.4814 75 A 4.3534 7.8858 124.9147 52.7619 21.5630 175.8768 76 T 3.4284 7.9467 109.1773 63.6939 65.6712 172.4670 77 Q 4.1267 7.5849 122.0747 56.6876 28.2769 174.8358 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 4.27 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 K 7.79 4.24 0.00 1.83 1.79 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.49 7.81 4 E 8.02 4.72 0.00 1.94 1.76 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 2.27 2.33 0.00 5 P 0.00 4.67 0.00 2.09 2.05 0.00 3.89 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 2.02 2.06 0.00 6 C 7.98 3.89 0.00 3.14 2.91 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 7 V 7.48 3.72 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 0.77 0.00 0.00 0.94 0.00 0.00 8 E 8.24 4.12 0.00 2.01 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 2.41 2.31 0.00 9 S 8.12 4.21 0.00 4.09 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 10 L 7.70 4.40 0.00 1.87 1.81 0.99 0.93 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 11 V 7.70 3.87 2.34 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 1.35 0.00 0.00 1.04 0.00 0.00 12 S 8.33 4.37 0.00 4.13 3.96 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 13 Q 8.02 4.20 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.73 0.00 14 Y 8.09 3.96 0.00 2.98 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 15 F 8.22 4.28 0.00 3.45 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 16 Q 7.91 4.57 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 17 T 7.41 3.95 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 1.08 0.00 0.00 18 V 7.09 3.88 1.85 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 0.88 0.00 0.00 0.92 0.00 0.00 19 T 7.57 4.04 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 20 D 7.63 4.84 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.64 0.00 2.88 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 22 G 7.77 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.93 3.94 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.54 7.81 24 D 8.03 4.77 0.00 2.80 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 25 L 6.95 4.43 0.00 1.46 1.54 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.25 4.56 0.00 1.87 1.87 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 2.44 2.52 0.00 27 E 7.91 4.76 0.00 1.96 1.81 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 2.19 2.20 0.00 28 K 7.73 4.08 0.00 1.82 1.77 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.41 7.81 29 V 7.64 3.72 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 0.84 0.00 0.00 0.91 0.00 0.00 30 K 7.76 4.20 0.00 1.94 1.82 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 31 S 7.68 4.06 0.00 3.84 3.95 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 32 P 0.00 4.56 0.00 2.07 2.27 0.00 3.87 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 2.03 2.17 0.00 33 E 7.98 4.63 0.00 2.05 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 2.24 2.37 0.00 34 L 7.92 4.49 0.00 1.57 1.62 0.92 0.95 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 35 Q 7.27 4.07 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 36 A 7.37 3.90 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 37 E 7.71 4.30 0.00 2.18 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 2.32 2.32 0.00 38 A 7.65 3.28 0.97 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 0.00 0.00 39 K 7.85 4.34 0.00 1.84 1.98 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.51 7.81 40 S 7.82 4.55 0.00 4.11 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 0.00 41 Y 7.47 4.11 0.00 2.21 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 42 F 7.52 4.67 0.00 3.27 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 43 E 8.18 4.12 0.00 2.23 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 2.47 2.68 0.00 44 K 8.62 4.16 0.00 1.86 1.82 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.32 7.81 45 S 7.79 4.02 0.00 4.17 4.19 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 46 K 7.92 4.20 0.00 2.03 1.93 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.72 7.81 47 E 8.15 4.27 0.00 2.24 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 2.62 0.00 48 Q 7.54 4.56 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 49 L 7.84 4.09 0.00 1.89 1.71 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.92 4.05 4.25 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 1.21 0.00 0.00 51 P 0.00 4.29 0.00 2.15 2.10 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.15 0.00 52 L 7.31 4.13 0.00 1.77 1.81 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.55 4.07 2.00 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 1.53 0.72 0.91 0.00 0.00 54 K 7.73 4.63 0.00 1.95 1.74 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.36 7.81 55 K 8.22 3.88 0.00 1.89 1.80 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.43 7.81 56 A 8.03 4.03 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 57 G 7.68 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.35 4.30 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 1.15 0.00 0.00 59 E 6.97 4.24 0.00 1.97 1.71 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 2.32 2.34 0.00 60 L 7.48 4.32 0.00 1.75 1.80 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.66 3.53 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 0.94 0.00 0.00 0.92 0.00 0.00 62 N 7.24 3.99 0.00 2.20 2.14 0.00 0.00 6.99 8.01 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 63 F 7.14 3.93 0.00 3.07 2.35 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 0.00 64 L 7.20 3.95 0.00 1.87 1.73 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.01 4.14 0.00 3.73 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.25 4.59 0.00 2.86 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.53 5.24 0.00 3.28 2.98 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 0.00 0.00 0.00 68 V 7.95 4.34 2.16 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 1.09 0.00 0.00 1.06 0.00 0.00 69 E 8.41 4.11 0.00 2.03 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 2.35 2.39 0.00 70 L 8.66 4.65 0.00 1.77 1.62 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.48 3.06 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 *73 Q 7.62 4.05 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 74 P 0.00 4.20 0.00 2.03 2.02 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 75 A 7.89 4.35 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 76 T 7.95 3.43 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 77 Q 7.58 4.13 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.