NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2339 8.1133 117.2696 56.3350 30.5430 176.7059 11 S 3.9518 8.5964 113.1428 58.1480 62.4804 174.1641 12 G 3.6178 7.6302 112.6628 47.9946 0.0000 175.8297 13 R 4.0692 7.6157 114.9104 57.9924 30.0279 177.1112 14 F 5.0597 8.4078 117.4947 57.1457 40.2208 176.8508 15 G 3.6812 7.5265 110.1483 47.1993 0.0000 174.0117 16 A 4.4552 8.5403 127.0360 52.1657 18.8317 177.2017 17 R 4.1258 7.3517 117.6280 57.1697 31.8432 175.9487 18 Y 4.1213 8.2287 119.0827 57.4608 36.7261 170.6434 19 G 3.9715 8.0865 103.7929 44.5524 0.0000 172.7435 20 R 3.8374 7.8951 115.6406 59.1943 29.8869 179.1770 21 V 3.5206 7.7831 117.0508 66.7074 32.0788 178.1539 22 S 4.1536 8.1435 114.1264 61.8109 62.6524 176.4207 23 R 4.6335 7.7815 116.1661 56.8272 29.5706 177.8229 24 R 3.9913 8.2158 121.3742 59.3449 30.4451 178.4652 25 R 3.9450 7.8468 117.4372 59.1233 30.1738 178.8956 26 V 3.5820 7.7340 117.6027 65.8511 31.4820 177.9137 27 A 3.9494 7.6014 120.0005 55.3140 18.3246 179.1560 28 E 3.8671 8.1637 116.7640 59.7155 29.6086 179.4506 29 I 3.6835 8.1929 119.8226 64.9285 37.3064 178.3011 30 E 4.1209 8.3182 118.4786 58.6720 29.0694 179.3452 31 S 4.0756 8.1834 113.4991 61.4340 62.5366 175.4782 32 E 4.1385 8.7624 122.4581 59.2652 29.1281 178.3009 33 M 4.9460 8.0381 119.1861 57.8427 32.4552 177.0150 34 N 4.8995 8.0198 113.4175 52.3181 39.3406 175.0710 35 E 4.1797 7.2071 120.3195 56.0816 30.2476 176.0440 36 D 4.5855 8.3354 120.5072 54.6280 41.7056 175.7315 37 H 5.0374 8.2562 119.5640 53.5902 31.9571 173.5741 38 A 4.5458 8.5839 124.4213 51.7697 18.7248 176.9112 39 C 4.1805 9.3056 124.7664 59.4594 31.5545 172.4274 40 P 4.2005 0.0000 0.0000 65.3477 30.6035 176.6093 41 N 4.0192 7.1238 116.8719 55.2072 40.2002 178.0055 42 C 4.7270 7.4979 124.4910 58.2923 29.2563 175.3123 43 G 4.1312 8.5628 104.3910 44.4445 0.0000 171.8446 44 E 4.0336 8.1348 119.6869 56.3137 30.7423 176.5412 45 D 5.5361 8.0641 122.8911 52.5687 38.7730 176.5221 46 R 4.7367 7.5907 114.5037 55.6690 31.9823 176.0351 47 V 4.7421 7.9983 120.4322 62.8465 32.8747 174.6160 48 D 5.4310 9.5592 127.0742 52.2858 45.1003 175.3518 49 R 3.5308 8.7846 121.5339 56.2631 30.6333 176.2447 50 Q 4.3020 8.4628 123.6822 55.9310 30.7907 175.5750 51 G 3.6649 6.7141 103.5480 45.6203 0.0000 171.3807 52 T 3.6472 8.4712 117.0786 64.8148 68.4829 174.3309 53 G 4.3143 8.5290 114.0093 46.6225 0.0000 171.4883 54 I 4.6368 7.0413 120.8406 58.8672 39.7771 174.8000 55 W 4.9933 8.6109 126.6868 54.9425 32.9919 174.3726 56 Q 5.6677 9.0636 122.3066 54.7180 32.8932 172.7357 57 C 5.3238 8.8865 125.6693 58.1179 32.6533 174.5210 58 S 4.3039 9.0051 121.5626 60.6899 62.5726 174.5560 59 Y 4.5257 7.6829 122.8314 59.3614 39.0390 175.2162 60 C 4.0603 7.8863 114.5508 57.7168 30.6597 174.0693 61 D 4.6460 8.3721 119.3342 54.7301 38.8104 173.0413 62 Y 4.3991 7.9820 121.8790 58.0253 39.7766 174.4115 63 K 5.1277 8.5619 128.8199 54.7406 33.9581 174.9109 64 F 4.9839 9.0394 122.0612 55.7570 42.0605 173.0422 65 T 4.8679 8.5878 108.9499 61.0791 70.2970 175.0438 66 G 4.3471 7.8082 109.1669 46.5850 0.0000 172.1267 67 G 4.0914 8.3231 110.7549 45.1389 0.0000 174.8055 68 S 3.9392 8.4850 114.6592 60.8138 63.0195 175.2065 69 Y 4.9982 7.8037 114.8090 57.3437 40.2032 175.1880 70 K 4.8495 7.9770 118.9336 53.5582 35.7604 175.3058 71 P 2.9819 0.0000 0.0000 64.0749 31.6406 175.9753 72 E 4.8071 7.6006 117.7659 53.9671 33.1136 175.3861 73 T 4.6490 8.0958 113.0021 59.2378 72.4911 173.8071 74 P 4.3219 0.0000 0.0000 65.9574 31.7026 179.0072 75 G 3.8335 8.1560 104.0493 47.6204 0.0000 175.8277 76 G 3.6897 8.1517 108.0187 47.4596 0.0000 175.3617 77 K 4.1261 7.8359 118.3015 57.8852 32.1636 179.1263 78 T 4.0507 7.7711 117.3487 66.4191 68.2853 176.5039 79 V 3.6046 6.9472 119.3125 66.4406 31.4848 177.0411 80 R 4.0163 8.1020 114.9169 59.4728 31.4835 178.1050 81 R 3.5647 8.1261 110.0580 59.4102 29.3811 177.0179 82 S 4.2949 9.3410 119.7363 59.4629 62.5974 175.2855 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 4.23 0.00 1.98 1.52 0.00 2.93 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 11 S 8.60 3.95 0.00 4.06 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 12 G 7.63 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 4.07 0.00 1.87 1.95 0.00 2.85 0.00 0.00 3.03 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.08 0.00 14 F 8.41 5.06 0.00 3.47 3.18 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 0.00 15 G 7.53 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.54 4.46 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 17 R 7.35 4.13 0.00 0.67 0.66 0.00 2.87 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.30 0.00 18 Y 8.23 4.12 0.00 3.05 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 19 G 8.09 3.97 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 0.00 20 R 7.90 3.84 0.00 1.81 1.89 0.00 3.27 0.00 0.00 3.16 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 21 V 7.78 3.52 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 1.15 0.00 0.00 0.94 0.00 0.00 22 S 8.14 4.15 0.00 3.92 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 23 R 7.78 4.63 0.00 2.35 2.52 0.00 2.97 0.00 0.00 3.30 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.74 0.00 24 R 8.22 3.99 0.00 2.02 2.10 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 25 R 7.85 3.94 0.00 1.89 1.93 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 26 V 7.73 3.58 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 1.14 0.00 0.00 1.15 0.00 0.00 27 A 7.60 3.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.87 0.00 2.17 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 2.34 2.45 0.00 29 I 8.19 3.68 1.82 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.53 0.00 0.00 30 E 8.32 4.12 0.00 2.07 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 2.30 2.44 0.00 31 S 8.18 4.08 0.00 3.93 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 32 E 8.76 4.14 0.00 2.07 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 2.37 2.49 0.00 33 M 8.04 4.95 0.00 2.33 2.45 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.71 0.00 34 N 8.02 4.90 0.00 2.87 2.88 0.00 0.00 7.08 7.59 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 35 E 7.21 4.18 0.00 1.85 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 0.00 2.39 2.51 0.00 36 D 8.34 4.59 0.00 2.53 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 37 H 8.26 5.04 0.00 3.15 3.10 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 8.58 4.55 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 39 C 9.31 4.18 0.00 3.10 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 40 P 0.00 4.20 0.00 1.83 1.91 0.00 3.38 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.82 0.00 41 N 7.12 4.02 0.00 1.66 2.49 0.00 0.00 6.97 7.65 0.00 0.00 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 7.50 4.73 0.00 3.23 2.75 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 43 G 8.56 4.13 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 0.00 0.00 0.00 44 E 8.13 4.03 0.00 2.07 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 1.86 2.22 0.00 45 D 8.06 5.54 0.00 2.55 2.63 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 46 R 7.59 4.74 0.00 1.84 1.97 0.00 3.22 0.00 0.00 3.38 7.18 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 8.00 4.74 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1.22 0.00 0.00 48 D 9.56 5.43 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.78 3.53 0.00 0.98 1.49 0.00 2.94 0.00 0.00 2.93 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 50 Q 8.46 4.30 0.00 1.75 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 51 G 6.71 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.47 3.65 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 1.05 0.00 0.00 53 G 8.53 4.31 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 0.00 54 I 7.04 4.64 1.58 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.05 0.71 0.00 0.00 55 W 8.61 4.99 0.00 1.78 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 56 Q 9.06 5.67 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 57 C 8.89 5.32 0.00 3.31 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 58 S 9.01 4.30 0.00 4.12 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 7.68 4.53 0.00 2.88 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 60 C 7.89 4.06 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.65 0.00 2.92 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 62 Y 7.98 4.40 0.00 3.04 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 63 K 8.56 5.13 0.00 1.77 1.62 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.34 7.81 64 F 9.04 4.98 0.00 3.00 2.37 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 65 T 8.59 4.87 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 1.21 0.00 0.00 66 G 7.81 4.35 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 0.00 0.00 0.00 67 G 8.32 4.09 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 0.00 0.00 0.00 68 S 8.49 3.94 0.00 3.14 2.70 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 69 Y 7.80 5.00 0.00 3.18 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 70 K 7.98 4.85 0.00 1.82 1.54 0.00 1.80 0.00 0.00 1.97 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.51 7.81 71 P 0.00 2.98 0.00 1.80 0.66 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.22 0.00 72 E 7.60 4.81 0.00 1.84 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 2.18 2.20 0.00 73 T 8.10 4.65 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 1.24 0.00 0.00 74 P 0.00 4.32 0.00 2.05 2.17 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 75 G 8.16 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.15 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 77 K 7.84 4.13 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.32 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.65 7.81 78 T 7.77 4.05 4.49 0.00 0.00 0.00 0.00 0.00 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 6.95 3.60 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 0.84 0.00 0.00 0.94 0.00 0.00 80 R 8.10 4.02 0.00 1.96 1.99 0.00 3.29 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 81 R 8.13 3.56 0.00 1.98 1.76 0.00 3.21 0.00 0.00 3.27 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 82 S 9.34 4.29 0.00 3.97 3.91 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