NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1486 0.0000 0.0000 63.2057 32.3250 174.0536 3 K 3.4458 8.8651 126.9071 55.6051 29.7920 173.0164 4 M 4.2399 9.1478 126.1819 55.2619 33.5915 175.7140 5 K 4.6258 8.2084 120.0025 54.7564 34.4650 176.7187 6 T 4.2632 8.1499 112.3636 61.3911 69.8569 174.7617 7 H 4.3976 8.8703 123.0635 55.1220 30.0816 176.2173 8 K 4.3376 8.5956 128.7483 59.5964 31.8984 179.1198 9 G 3.8694 8.3581 103.7245 48.0116 0.0000 175.0065 10 A 4.0525 7.9614 122.3555 54.8121 18.3838 179.0896 11 K 3.7667 8.7040 117.9139 59.9593 32.2956 178.3037 12 K 4.3818 8.4542 115.6684 57.4215 31.9948 177.7318 13 R 4.7108 7.9542 114.7682 55.1958 30.6026 175.0713 14 V 4.5334 7.6579 116.5195 61.2841 34.0318 172.5915 15 K 4.5790 8.9257 127.0321 54.6586 34.4725 174.3912 16 I 4.8039 8.2475 126.8782 59.6916 39.8811 175.5159 17 T 4.3633 8.6905 120.0051 60.1985 70.9079 175.0114 18 A 3.9660 8.6256 123.4290 55.8905 18.2149 179.5351 19 S 4.1143 7.9329 109.6920 60.3510 62.9721 175.6518 20 G 3.9800 7.7770 107.7154 44.6443 0.0000 173.6287 21 K 4.0899 7.5005 119.5960 55.8998 33.3329 176.2850 22 V 4.3301 8.1245 124.0947 62.0648 32.8067 175.1682 23 V 5.0571 9.4484 126.6247 60.4638 35.2077 174.2398 24 A 4.7265 8.1479 126.0832 51.2146 22.6141 174.7530 25 M 4.8875 8.3804 121.5980 54.8875 31.8067 176.5010 26 K 4.5975 8.3765 123.7343 55.4727 35.5733 176.3210 27 T 3.9867 8.5359 113.9428 62.5130 69.7278 173.2529 28 G 3.8076 8.9745 111.4323 45.3882 0.0000 173.0203 29 K 4.5631 7.4242 118.4381 57.5697 37.7498 177.0071 30 R 4.2778 8.3040 115.7089 57.2138 29.7604 176.1434 31 H 5.1908 7.7137 121.9008 55.5822 30.5945 175.4859 32 L 3.9890 8.6509 120.8612 58.9713 41.4952 176.7668 33 N 4.0509 7.1608 113.5703 50.6131 40.4851 172.9347 34 W 3.6681 8.1122 134.4861 57.8289 28.9028 174.1439 35 Q 4.1504 6.3723 114.2358 55.1438 29.3143 170.8886 36 K 4.2947 7.7388 117.5421 53.8283 35.0397 176.0224 37 S 3.9998 8.3943 118.9814 57.1673 64.1833 175.6273 38 G 3.8588 9.0853 111.6292 49.3822 0.0000 175.7358 39 K 3.9788 8.1180 121.6937 58.8646 32.3473 177.2773 40 E 4.0814 7.6248 117.2257 57.9268 29.3064 177.7786 41 I 3.7185 8.2252 118.9329 64.5693 37.9200 177.8354 42 R 3.9725 8.5611 121.6740 59.3039 30.2567 180.2906 43 Q 4.4938 8.3590 119.9151 55.8162 27.9938 178.1884 44 K 4.6545 10.0608 116.5253 54.3838 33.4713 177.1984 45 G 4.0064 7.6659 113.2202 45.4457 0.0000 174.1357 46 R 5.1299 8.6263 123.5115 54.2873 33.8613 172.6541 47 K 4.4847 9.0172 118.6636 55.7226 36.1778 175.5460 48 F 5.2735 8.6719 126.1288 58.1192 40.7968 176.0737 49 V 3.8167 8.0836 122.7626 61.5074 32.6929 169.4396 50 L 4.4507 7.9122 127.3594 53.6453 44.6302 176.0303 51 A 5.0171 8.5090 128.4653 53.5773 17.6490 180.3406 52 K 4.0478 7.6503 114.3795 58.6034 32.0431 177.7604 53 P 4.2586 0.0000 0.0000 65.6117 30.9951 178.2375 54 E 3.8418 8.1220 117.6528 59.3691 29.2986 178.9576 55 A 3.7891 7.4509 119.1456 55.6292 18.4950 178.5704 56 E 3.9803 8.0451 118.2245 58.5943 29.7400 178.6930 57 R 3.9180 8.6291 119.1689 58.8636 30.2096 177.9431 58 I 4.3448 6.8568 117.8633 61.3355 37.2742 176.2529 59 K 4.6724 8.4608 118.0515 55.6569 34.1981 176.9243 60 L 4.9277 7.4734 119.9871 53.8929 42.0473 178.3841 61 L 4.2285 7.3994 119.9376 57.0517 40.9495 178.2256 62 L 4.1364 8.2004 124.4026 56.0458 42.3245 176.6983 63 P 4.4678 0.0000 0.0000 62.1680 32.2193 176.2254 64 Y 3.6530 8.2548 119.9065 57.0167 37.6087 170.4704 *65 E 4.1515 8.5208 114.6192 56.5507 30.5285 172.1704 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 P 0.00 4.15 0.00 2.19 2.14 0.00 3.89 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 K 8.87 3.45 0.00 1.97 1.86 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.53 7.81 4 M 9.15 4.24 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 5 K 8.21 4.63 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.39 7.81 6 T 8.15 4.26 4.38 0.00 0.00 0.00 0.00 0.00 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 7 H 8.87 4.40 0.00 3.22 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.60 4.34 0.00 1.81 1.86 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.46 7.81 9 G 8.36 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.96 4.05 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 11 K 8.70 3.77 0.00 1.75 2.09 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.54 7.81 12 K 8.45 4.38 0.00 1.87 1.85 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.57 7.81 13 R 7.95 4.71 0.00 1.83 1.92 0.00 3.09 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 14 V 7.66 4.53 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 0.66 0.00 0.00 0.97 0.00 0.00 15 K 8.93 4.58 0.00 1.88 1.70 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.38 7.81 16 I 8.25 4.80 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.13 0.91 0.00 0.00 17 T 8.69 4.36 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 1.26 0.00 0.00 18 A 8.63 3.97 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 19 S 7.93 4.11 0.00 3.85 3.93 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 20 G 7.78 3.98 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 0.00 0.00 0.00 21 K 7.50 4.09 0.00 1.72 1.40 0.00 1.73 0.00 0.00 1.34 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.29 7.81 22 V 8.12 4.33 2.04 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 0.74 0.00 0.00 0.91 0.00 0.00 23 V 9.45 5.06 2.21 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 1.38 0.00 0.00 1.05 0.00 0.00 24 A 8.15 4.73 1.23 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 0.00 0.00 0.00 25 M 8.38 4.89 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 26 K 8.38 4.60 0.00 1.68 1.67 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.33 7.81 27 T 8.54 3.99 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 28 G 8.97 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 0.00 0.00 0.00 29 K 7.42 4.56 0.00 1.77 1.75 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.47 7.81 30 R 8.30 4.28 0.00 1.86 1.96 0.00 3.53 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 31 H 7.71 5.19 0.00 3.27 3.36 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.65 3.99 0.00 1.71 1.86 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.16 4.05 0.00 2.79 2.77 0.00 0.00 6.88 7.68 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 34 W 8.11 3.67 0.00 3.35 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 6.37 4.15 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.65 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 36 K 7.74 4.29 0.00 1.67 1.65 0.00 1.91 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.37 7.81 37 S 8.39 4.00 0.00 3.95 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 38 G 9.09 3.86 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 0.00 0.00 0.00 39 K 8.12 3.98 0.00 1.78 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 40 E 7.62 4.08 0.00 2.21 1.79 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 2.33 2.37 0.00 41 I 8.23 3.72 1.87 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 1.42 0.51 1.06 0.00 0.00 42 R 8.56 3.97 0.00 1.82 2.20 0.00 3.09 0.00 0.00 3.15 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 43 Q 8.36 4.49 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 44 K 10.06 4.65 0.00 1.92 1.72 0.00 1.57 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 45 G 7.67 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.63 5.13 0.00 1.66 1.85 0.00 3.24 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 47 K 9.02 4.48 0.00 1.76 1.88 0.00 1.32 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.47 7.81 48 F 8.67 5.27 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 3.82 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 0.63 0.00 0.00 0.98 0.00 0.00 50 L 7.91 4.45 0.00 1.51 1.52 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.51 5.02 1.37 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 0.00 0.00 0.00 52 K 7.65 4.05 0.00 1.95 1.85 0.00 1.55 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 53 P 0.00 4.26 0.00 2.18 2.40 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 2.00 2.10 0.00 54 E 8.12 3.84 0.00 2.06 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 2.35 2.34 0.00 55 A 7.45 3.79 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 56 E 8.05 3.98 0.00 2.23 1.89 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 2.28 2.36 0.00 57 R 8.63 3.92 0.00 1.79 1.90 0.00 3.06 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 58 I 6.86 4.34 1.98 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 1.68 0.72 0.90 0.00 0.00 59 K 8.46 4.67 0.00 1.90 1.81 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.40 7.81 60 L 7.47 4.93 0.00 1.63 1.63 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.40 4.23 0.00 1.92 1.76 0.95 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.20 4.14 0.00 1.69 1.84 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.47 0.00 2.22 2.20 0.00 4.04 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 2.09 2.01 0.00 64 Y 8.25 3.65 0.00 2.97 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 *65 E 8.52 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.