NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2221 8.1133 117.2684 56.4061 30.6667 176.2762 11 S 4.0098 8.8567 112.6283 57.8097 62.8957 174.2644 12 G 3.6885 7.5226 112.6390 48.0185 0.0000 176.5261 13 R 3.9536 7.6346 115.6070 58.8951 29.7400 177.3902 14 F 5.0913 8.0092 115.8839 57.0687 39.7930 176.5270 15 G 3.7949 7.5238 110.3291 47.2463 0.0000 174.1606 16 A 4.5842 8.5283 123.7155 52.2137 19.3793 177.0969 17 R 4.1391 7.8951 118.7185 56.9736 32.0779 177.7209 18 Y 3.5905 8.1159 114.1467 57.5840 36.4575 169.9244 19 G 4.1008 7.2677 110.2272 44.4987 0.0000 174.1420 20 R 3.4002 8.4087 112.0687 59.5463 30.3563 179.5245 21 V 3.4068 8.0282 119.8030 66.5994 32.9022 176.8571 22 S 4.1135 8.3195 114.4721 62.3585 62.6999 177.1480 23 R 4.2510 8.1397 118.4208 59.0961 29.3959 178.7322 24 R 3.8871 8.7055 120.0699 59.5864 30.0928 178.7663 25 R 3.9791 8.3770 118.1278 58.9501 29.9231 179.2326 26 V 3.5215 7.7763 117.9043 65.8047 31.5843 177.7554 27 A 3.9388 8.1645 120.5887 55.6979 18.2446 178.8918 28 E 3.8662 8.1876 116.6612 59.6613 29.4560 179.4110 29 I 3.7006 8.0231 119.1274 65.0437 37.3561 178.4671 30 E 4.0024 8.4458 119.1231 59.1590 28.9555 179.2848 31 S 4.0610 8.3311 112.9969 61.5304 62.7200 175.5155 32 E 4.0986 8.4058 121.9355 59.4970 29.1334 178.4627 33 M 4.6226 8.1617 119.2194 58.1411 32.4775 177.2755 34 N 4.7664 8.3199 113.9348 53.2529 39.2104 174.9387 35 E 4.1421 7.3187 120.2105 56.1824 30.2234 175.8244 36 D 4.6441 8.3096 119.9923 54.4957 41.7181 175.9454 37 H 5.0141 8.7164 119.9089 53.5489 32.0629 173.1637 38 A 4.3466 8.6529 125.0311 51.7067 18.7304 176.8062 39 C 4.1355 8.7238 124.1603 59.5978 31.5532 172.4629 40 P 4.2256 0.0000 0.0000 65.4134 30.8472 176.8210 41 N 4.1000 7.0889 115.7216 55.0673 39.0844 179.3344 42 C 4.5333 7.8568 123.6633 58.4306 31.7299 174.0406 43 G 4.1478 8.4618 104.9669 45.9284 0.0000 173.2009 44 E 4.0088 8.1341 121.2950 56.5767 30.5459 176.8891 45 D 5.3645 8.6071 124.7225 53.7033 38.9749 176.2143 46 R 4.7968 7.8749 121.4352 55.7197 33.1224 173.9368 47 V 4.9039 8.0481 119.4400 62.2167 32.7013 174.9237 48 D 5.3068 9.2077 126.5459 52.2502 45.2854 175.1516 49 R 3.1479 8.5784 121.8589 56.1918 30.4243 176.3967 50 Q 4.2076 9.0361 124.4638 55.2357 30.1734 175.7483 51 G 3.6102 6.6552 103.8258 45.8807 0.0000 171.1697 52 T 3.5150 8.0558 117.3483 65.6305 67.7668 174.7814 53 G 4.4032 8.5878 115.5516 45.8180 0.0000 170.9715 54 I 4.6483 6.9812 120.9393 59.2429 39.3093 174.9254 55 W 4.7781 8.4751 125.9214 55.0623 33.3282 174.1797 56 Q 5.2863 8.9338 121.7209 55.2892 32.8712 173.0241 57 C 5.1556 9.6431 127.8600 58.8246 32.0694 173.9854 58 S 4.1273 9.1686 121.8738 60.3439 62.3948 174.4345 59 Y 4.5394 8.3240 121.5048 58.9780 39.4367 175.2725 60 C 4.0697 7.9280 115.6940 58.0192 30.7435 174.2924 61 D 4.7455 8.6666 119.8877 54.2947 38.9514 173.4019 62 Y 4.4216 8.0010 121.4041 58.3740 39.7034 174.6862 63 K 5.2033 8.5432 127.7389 54.5920 34.3689 174.7704 64 F 5.0221 8.9552 121.9682 55.3404 41.8483 173.6978 65 T 4.5374 8.6300 109.9516 62.1928 69.8203 174.6135 66 G 4.2713 7.8353 108.6917 47.0202 0.0000 172.1867 67 G 4.3313 8.3979 108.9278 45.1389 0.0000 173.7278 68 S 4.0454 8.3951 112.1182 59.7060 62.6563 174.2363 69 Y 5.0443 7.7433 114.4823 57.1810 40.0535 174.7696 70 K 4.6419 7.9502 118.6324 53.6773 35.9598 174.8750 71 P 2.9700 0.0000 0.0000 63.3172 31.8796 175.7267 72 E 4.8179 7.6625 117.8878 54.3309 32.4223 174.9315 73 T 4.6423 8.1332 113.0578 58.9998 70.7715 173.3507 74 P 4.3016 0.0000 0.0000 66.0460 31.2414 179.1207 75 G 3.7485 8.1151 103.8786 47.7691 0.0000 175.7280 76 G 3.7013 8.1071 108.7365 47.5145 0.0000 175.8316 77 K 4.0233 7.3789 119.9054 59.0158 31.7540 179.4149 78 T 4.0228 7.8470 116.5912 66.5711 68.2145 176.4318 79 V 3.5473 7.3634 118.8664 66.8105 31.3085 177.7044 80 R 3.8402 7.5105 115.8568 59.0804 31.9586 178.3515 81 R 3.4909 8.3467 109.0756 59.5985 29.4329 176.9859 82 S 4.2868 9.2386 120.0687 59.1634 62.7209 175.1512 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 10 R 8.11 4.22 0.00 1.96 1.38 0.00 2.91 0.00 0.00 3.32 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 11 S 8.86 4.01 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.52 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 0.00 0.00 0.00 13 R 7.63 3.95 0.00 1.87 1.97 0.00 2.84 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.00 14 F 8.01 5.09 0.00 3.41 3.32 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 15 G 7.52 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 16 A 8.53 4.58 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 17 R 7.90 4.14 0.00 1.25 0.66 0.00 2.79 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.40 0.00 18 Y 8.12 3.59 0.00 3.01 2.94 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 19 G 7.27 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 3.40 0.00 1.90 1.82 0.00 3.18 0.00 0.00 3.28 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 21 V 8.03 3.41 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.94 0.00 0.00 22 S 8.32 4.11 0.00 4.27 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 23 R 8.14 4.25 0.00 2.22 2.69 0.00 3.07 0.00 0.00 3.54 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.75 0.00 24 R 8.71 3.89 0.00 1.88 2.22 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 25 R 8.38 3.98 0.00 2.11 1.94 0.00 3.18 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 26 V 7.78 3.52 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 1.16 0.00 0.00 1.18 0.00 0.00 27 A 8.16 3.94 1.38 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 0.00 0.00 0.00 28 E 8.19 3.87 0.00 2.17 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 2.48 0.00 29 I 8.02 3.70 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.80 0.66 0.00 0.00 30 E 8.45 4.00 0.00 2.12 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 2.27 2.48 0.00 31 S 8.33 4.06 0.00 3.92 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 4.10 0.00 2.12 2.12 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 2.39 2.53 0.00 33 M 8.16 4.62 0.00 2.32 2.43 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 2.97 2.61 0.00 34 N 8.32 4.77 0.00 2.77 2.89 0.00 0.00 7.08 7.75 0.00 0.00 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 E 7.32 4.14 0.00 1.83 1.83 0.00 0.00 0.00 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 2.52 0.00 36 D 8.31 4.64 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.72 5.01 0.00 3.12 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.65 4.35 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 39 C 8.72 4.14 0.00 3.14 3.01 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 40 P 0.00 4.23 0.00 1.78 1.88 0.00 3.50 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.79 0.00 41 N 7.09 4.10 0.00 2.24 2.48 0.00 0.00 6.93 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 C 7.86 4.53 0.00 3.23 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.13 4.01 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.14 0.00 45 D 8.61 5.36 0.00 2.55 2.64 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 0.00 0.00 0.00 0.00 46 R 7.87 4.80 0.00 1.81 1.96 0.00 3.26 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 47 V 8.05 4.90 2.32 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 1.15 0.00 0.00 1.26 0.00 0.00 48 D 9.21 5.31 0.00 2.66 2.55 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 0.00 0.00 0.00 0.00 49 R 8.58 3.15 0.00 0.69 1.43 0.00 2.92 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 50 Q 9.04 4.21 0.00 1.76 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 51 G 6.66 3.61 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 0.00 0.00 0.00 52 T 8.06 3.51 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 1.08 0.00 0.00 53 G 8.59 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 6.98 4.65 1.60 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.75 0.74 0.00 0.00 55 W 8.48 4.78 0.00 1.78 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 56 Q 8.93 5.29 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.73 0.00 57 C 9.64 5.16 0.00 3.29 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 58 S 9.17 4.13 0.00 4.00 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 0.00 59 Y 8.32 4.54 0.00 2.89 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 60 C 7.93 4.07 0.00 3.03 2.87 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 61 D 8.67 4.75 0.00 2.86 2.95 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 62 Y 8.00 4.42 0.00 3.03 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 63 K 8.54 5.20 0.00 1.77 1.60 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.34 7.81 64 F 8.96 5.02 0.00 3.02 2.33 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 65 T 8.63 4.54 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 66 G 7.84 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 0.00 0.00 0.00 0.00 67 G 8.40 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 0.00 0.00 0.00 0.00 68 S 8.40 4.05 0.00 3.52 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 69 Y 7.74 5.04 0.00 3.22 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 70 K 7.95 4.64 0.00 1.76 1.52 0.00 1.77 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.47 7.81 71 P 0.00 2.97 0.00 1.76 0.68 0.00 3.18 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.39 0.00 72 E 7.66 4.82 0.00 1.85 1.82 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 2.17 2.19 0.00 73 T 8.13 4.64 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 74 P 0.00 4.30 0.00 2.18 2.19 0.00 3.61 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 2.14 2.20 0.00 75 G 8.12 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.11 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 0.00 0.00 0.00 77 K 7.38 4.02 0.00 2.05 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.26 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.66 7.81 78 T 7.85 4.02 4.46 0.00 0.00 0.00 0.00 0.00 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 79 V 7.36 3.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 80 R 7.51 3.84 0.00 2.01 1.92 0.00 3.43 0.00 0.00 3.22 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 81 R 8.35 3.49 0.00 1.99 1.74 0.00 3.20 0.00 0.00 3.27 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 82 S 9.24 4.29 0.00 3.98 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