NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 H 4.6505 8.4444 120.3821 55.5961 31.9768 173.3711 15 V 3.9102 6.5348 116.6662 64.2865 33.7362 177.1179 16 F 3.9994 7.2394 119.3749 60.0590 39.7821 177.2509 17 K 3.9490 8.1157 117.7010 60.5017 31.8891 178.7294 18 S 4.4506 8.0916 115.7741 60.8985 62.7166 177.0644 19 R 4.6375 7.5741 121.5584 60.0261 30.3511 178.5296 20 L 4.0088 8.5768 119.1647 58.1032 41.6311 179.1100 21 Q 4.0564 8.4653 118.3712 59.9951 28.6717 178.9524 22 E 4.0708 8.7772 119.5514 58.7397 29.4285 178.4662 23 Y 4.2515 8.5907 118.4436 62.4499 39.1231 178.8049 24 A 3.8314 8.6708 118.6429 55.8076 18.6604 179.3851 25 Q 3.9836 8.5393 114.5827 58.5566 28.9899 179.1275 26 K 3.8761 8.3877 119.9322 58.8635 32.2294 177.3700 27 Y 4.5291 8.4332 115.7693 57.2311 40.4584 176.3388 28 K 3.8878 8.3958 115.4705 57.3514 29.6238 174.0422 29 L 4.8436 8.4416 119.4016 51.8340 46.3090 174.5943 30 P 4.3996 0.0000 0.0000 62.6262 31.8786 176.4878 31 T 3.8920 8.5757 117.6841 63.7276 68.8503 172.1451 32 P 4.5221 0.0000 0.0000 62.9587 32.2639 175.7385 33 V 4.5403 8.1173 121.8970 61.2932 34.6862 173.6940 34 Y 5.0245 8.7777 124.2302 56.3549 40.1376 174.7563 35 E 4.7422 9.0889 124.0905 55.0197 31.8304 175.3318 36 I 5.0591 8.3414 123.1610 59.8226 40.9423 175.3980 37 V 4.3708 8.8368 123.9809 61.6072 34.7056 174.4989 38 K 4.8804 8.4988 129.5803 54.5959 30.8027 176.7939 39 E 4.3032 8.1367 133.6120 56.0544 27.5641 175.0267 40 G 4.1250 7.3325 107.5995 43.7947 0.0000 171.5803 41 P 4.3439 0.0000 0.0000 63.7022 29.1076 179.0785 42 S 3.3010 7.9861 117.1441 61.7961 65.8048 174.8509 43 H 4.5864 8.8424 119.0297 56.1952 28.9738 176.1139 44 K 4.4871 7.1064 116.2756 54.9004 33.0914 175.2708 45 S 4.6196 7.7397 115.9368 56.8398 65.9568 174.5069 46 L 4.9318 7.7668 119.3216 53.0998 45.1260 175.3484 47 F 5.2600 9.8599 123.8677 56.0029 41.1183 175.0107 48 Q 5.1005 8.8880 124.4670 54.7521 32.6787 173.7917 49 S 5.1368 9.0180 115.6608 57.8787 67.1402 173.4256 50 T 4.9893 8.9557 116.9815 61.8955 72.3010 173.2483 51 V 4.1723 9.1011 126.9853 61.7920 33.4402 174.5343 52 I 5.2775 8.3538 129.0882 59.2660 38.9380 174.4725 53 L 4.6794 8.1505 128.7261 53.3363 45.0454 175.8212 54 D 4.5271 9.8672 127.5305 55.3207 39.5859 173.4325 55 G 4.0922 8.2032 107.0372 45.5584 0.0000 174.0832 56 V 3.6206 7.5230 118.9703 62.7988 33.0070 175.6340 57 R 5.3093 7.7403 123.1044 53.5127 31.6106 174.4691 58 Y 4.6448 7.9956 121.4892 57.1869 39.9553 174.1340 59 N 5.5828 8.4676 118.2118 51.1358 40.5575 174.3110 60 S 4.4400 9.3584 116.2510 57.9823 64.0446 174.1513 61 L 4.0765 8.0587 121.1498 54.5777 41.8492 175.9502 62 P 4.6472 0.0000 0.0000 63.0054 32.5512 175.3491 63 G 3.7483 8.7237 103.6670 46.8078 0.0000 173.2902 64 F 4.5918 7.9525 117.3465 55.4546 41.1143 177.1619 65 F 4.9439 8.4355 122.0079 58.7065 39.7505 176.1383 66 N 4.7113 7.8636 117.8580 49.9554 41.4594 175.0927 67 R 3.5311 7.7682 121.0852 59.3879 30.1002 179.5676 68 K 3.7284 7.7458 117.2183 59.4691 32.3668 178.9164 69 A 3.8562 8.8356 121.0435 55.1026 18.1139 179.6142 70 A 3.1581 7.5786 118.5678 55.2022 18.5825 179.3761 71 E 3.9338 8.1418 117.2546 60.5274 29.4554 179.0696 72 Q 3.9852 8.8231 117.5586 59.0361 28.6123 179.7714 73 S 3.5418 7.8627 112.1931 60.8587 63.1046 176.3862 74 A 3.9377 8.2481 123.2920 55.3320 18.2518 179.2037 75 A 3.9101 8.1074 119.0100 55.3853 18.3108 179.2974 76 E 3.3267 7.9148 117.6289 59.2404 29.5785 178.8830 77 V 3.4388 7.5898 117.9156 66.0811 31.2632 177.5869 78 A 2.8855 7.7679 118.8878 55.0522 18.4329 179.1841 79 L 3.9071 8.1445 117.4720 57.9464 41.5192 179.9962 80 R 3.8738 8.0016 118.2212 59.0661 30.0217 180.6693 81 E 4.4991 7.6962 118.0655 55.8941 29.8333 177.3897 82 L 4.5398 8.6469 116.6616 55.4072 46.8294 177.7838 83 A 4.1346 8.2390 121.0945 55.8595 18.3643 177.4817 84 K 4.5253 7.7361 117.3095 56.4383 31.8252 176.3010 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 14 H 8.44 4.65 0.00 3.06 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 6.53 3.91 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 0.81 0.00 0.00 0.74 0.00 0.00 16 F 7.24 4.00 0.00 3.21 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 17 K 8.12 3.95 0.00 1.80 1.86 0.00 1.40 0.00 0.00 0.69 0.00 0.00 2.68 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.48 1.41 7.81 18 S 8.09 4.45 0.00 3.83 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 19 R 7.57 4.64 0.00 1.89 2.20 0.00 3.28 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 20 L 8.58 4.01 0.00 2.03 1.79 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.47 4.06 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 22 E 8.78 4.07 0.00 2.29 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 2.36 2.48 0.00 23 Y 8.59 4.25 0.00 3.11 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 24 A 8.67 3.83 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 25 Q 8.54 3.98 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 26 K 8.39 3.88 0.00 1.64 2.17 0.00 1.29 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.09 7.81 27 Y 8.43 4.53 0.00 2.83 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 28 K 8.40 3.89 0.00 1.81 1.81 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.37 7.81 29 L 8.44 4.84 0.00 1.84 1.58 1.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.40 0.00 2.19 2.07 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 31 T 8.58 3.89 4.28 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 1.27 0.00 0.00 32 P 0.00 4.52 0.00 1.93 1.83 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 33 V 8.12 4.54 2.05 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 1.08 0.00 0.00 0.96 0.00 0.00 34 Y 8.78 5.02 0.00 2.82 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 35 E 9.09 4.74 0.00 2.07 1.88 0.00 0.00 0.00 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 2.29 0.00 36 I 8.34 5.06 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 1.14 0.00 0.00 37 V 8.84 4.37 2.14 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 0.97 0.00 0.00 0.97 0.00 0.00 38 K 8.50 4.88 0.00 1.24 1.62 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.36 7.81 39 E 8.14 4.30 0.00 1.96 1.92 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 2.30 2.29 0.00 40 G 7.33 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 41 P 0.00 4.34 0.00 2.28 2.22 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.90 0.00 42 S 7.99 3.30 0.00 4.13 4.44 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.84 4.59 0.00 3.26 3.43 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.11 4.49 0.00 1.49 1.56 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.20 7.81 45 S 7.74 4.62 0.00 3.32 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.77 4.93 0.00 1.51 1.60 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 F 9.86 5.26 0.00 3.12 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 48 Q 8.89 5.10 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 49 S 9.02 5.14 0.00 4.15 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 50 T 8.96 4.99 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 1.26 0.00 0.00 51 V 9.10 4.17 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 0.51 0.00 0.00 0.82 0.00 0.00 52 I 8.35 5.28 1.80 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 1.03 1.60 0.89 0.00 0.00 53 L 8.15 4.68 0.00 1.67 1.61 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.87 4.53 0.00 2.80 2.65 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 0.00 0.00 0.00 0.00 55 G 8.20 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 56 V 7.52 3.62 1.90 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 0.02 0.00 0.00 0.94 0.00 0.00 57 R 7.74 5.31 0.00 1.53 1.72 0.00 3.25 0.00 0.00 3.82 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.34 0.00 58 Y 8.00 4.64 0.00 2.91 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 59 N 8.47 5.58 0.00 2.75 2.75 0.00 0.00 6.11 7.64 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 60 S 9.36 4.44 0.00 3.94 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 61 L 8.06 4.08 0.00 1.92 1.70 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.65 0.00 2.20 2.23 0.00 3.82 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 1.97 1.97 0.00 63 G 8.72 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 64 F 7.95 4.59 0.00 3.42 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 65 F 8.44 4.94 0.00 3.14 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 66 N 7.86 4.71 0.00 2.79 2.87 0.00 0.00 6.25 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 67 R 7.77 3.53 0.00 1.58 1.83 0.00 3.03 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 0.00 68 K 7.75 3.73 0.00 1.81 1.71 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.36 7.81 69 A 8.84 3.86 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 70 A 7.58 3.16 1.50 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 0.00 0.00 71 E 8.14 3.93 0.00 2.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.31 0.00 72 Q 8.82 3.99 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.49 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 73 S 7.86 3.54 0.00 3.10 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 74 A 8.25 3.94 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.11 3.91 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.91 3.33 0.00 1.16 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.68 0.00 77 V 7.59 3.44 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 0.99 0.00 0.00 1.02 0.00 0.00 78 A 7.77 2.89 0.69 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 79 L 8.14 3.91 0.00 1.83 1.75 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.00 3.87 0.00 1.92 1.94 0.00 3.04 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 81 E 7.70 4.50 0.00 1.97 1.91 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 2.48 2.44 0.00 82 L 8.65 4.54 0.00 1.65 1.60 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.24 4.13 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 84 K 7.74 4.53 0.00 1.77 1.74 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.50 7.81