NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3989 8.1749 111.0779 61.7556 70.6058 172.3041 3 I 4.4082 8.5995 122.7481 58.6393 39.9423 173.2970 4 Q 5.0887 9.4453 127.8035 54.3868 32.0231 173.9238 5 L 4.9890 8.9151 124.6431 53.3030 46.8103 175.1974 6 T 4.9032 8.3649 116.3204 62.0207 71.7694 173.5962 7 V 4.7800 8.5422 126.0812 59.9746 31.9549 173.9700 8 P 4.3320 0.0000 0.0000 64.9465 31.5066 177.5720 9 T 4.2008 7.8154 105.8389 61.8748 69.2467 174.5708 10 I 3.7109 7.7065 124.1829 62.0362 36.8875 175.4037 11 A 4.5206 8.3429 128.4642 52.9558 20.5743 175.8132 12 C 4.6366 7.4087 109.5097 56.4732 33.2641 174.1082 13 E 3.9307 8.6596 120.0587 59.3319 28.9702 178.3647 14 A 4.0246 7.9606 120.4580 55.3181 18.4437 179.2421 15 C 4.1309 8.0683 114.5249 62.8495 28.3095 175.8529 16 A 3.9483 8.0076 122.4193 55.2454 17.8607 179.3453 17 E 3.8664 8.6906 117.9292 59.2084 29.7071 178.9285 18 A 3.9814 8.0534 120.8695 55.2900 18.5492 179.8319 19 V 3.4229 8.1038 117.1732 66.1359 31.4170 178.3713 20 T 3.8266 7.8903 115.5748 66.7020 68.3745 176.7954 21 K 3.9694 8.3222 120.2033 59.1877 31.4652 179.2977 22 A 4.0378 8.4058 121.6862 55.1847 18.3488 179.8837 23 V 3.5809 7.8424 116.6951 66.2533 31.4452 178.0219 24 Q 4.3261 8.2506 116.7604 57.8102 28.3715 177.7432 25 N 4.3456 8.1596 117.9833 55.8941 39.0006 175.6270 26 E 4.7013 7.3802 115.3967 56.1823 31.1059 175.2294 27 D 4.5251 8.1954 117.5401 51.9968 42.1928 175.3937 28 A 4.2202 8.4301 128.8395 53.8184 18.6510 178.0620 29 Q 4.3197 8.0725 112.9580 55.8476 29.2880 175.9339 30 A 4.4590 7.8921 121.6576 52.1746 19.1579 177.1629 31 T 4.5499 8.5851 112.2638 60.1985 71.2154 173.9494 32 V 4.8429 8.2652 123.7437 61.1622 34.7620 174.0086 33 Q 4.7062 9.1993 128.6703 54.1930 32.1238 174.0018 34 V 4.8001 8.3679 124.9081 61.0985 34.5763 173.7393 35 D 4.7572 8.7855 127.7825 52.6042 42.1149 177.0730 36 L 4.0463 8.7179 126.8077 58.2118 42.1782 178.7786 37 T 4.0097 8.0922 114.3871 66.4138 68.4091 175.3750 38 S 4.3933 8.1517 113.1789 57.7629 64.0260 174.5884 39 K 3.9121 8.0549 119.7491 57.2247 30.0471 174.5894 40 K 4.7372 7.7120 118.2533 55.7733 33.7603 176.0762 41 V 4.6489 9.3088 125.4025 61.5185 33.9434 174.1513 42 T 5.0246 9.0977 125.6052 61.9170 70.8425 173.5941 43 I 4.9681 9.3085 127.6322 59.7124 41.0779 174.5402 44 T 4.8259 8.7225 123.7721 62.0903 70.4637 173.3468 45 S 4.9558 8.3440 119.1953 57.1941 64.8955 174.5132 46 A 4.1400 8.3477 126.6409 54.4086 18.4657 178.6169 47 L 4.3139 7.8595 115.9300 54.4157 42.5124 177.6606 48 G 3.9560 8.7368 108.3464 43.5834 0.0000 174.8074 49 E 3.9483 8.5587 120.1788 59.4610 29.5226 178.7077 50 E 4.0096 8.1462 117.9730 59.4781 29.5198 179.2226 51 Q 3.9914 8.0159 117.6401 58.8786 28.8167 178.7142 52 L 3.9846 8.0309 119.9475 57.7947 41.6440 179.6143 53 R 3.9277 8.3231 118.3989 59.6828 29.9560 179.1916 54 T 3.8615 8.1893 115.3241 66.5463 68.2192 176.4776 55 A 4.0004 7.9121 121.4117 55.3240 18.8483 179.4959 56 I 3.8996 7.9972 118.1242 64.5274 37.1716 178.5647 57 A 4.5645 8.3689 123.3812 54.8459 17.9943 179.7706 58 S 4.1881 8.2649 112.3802 60.6358 62.9130 175.5260 59 A 4.5113 7.5774 121.7357 51.7260 18.8586 177.8500 60 G 3.7986 8.1018 107.0977 45.5710 0.0000 173.9975 61 Y 4.2726 7.6585 120.1362 58.0064 38.7869 174.9595 62 E 4.5051 8.7784 119.8672 55.0113 30.6184 175.2998 63 V 4.6010 8.1269 123.8975 59.7907 33.6866 175.1674 64 E 4.1661 8.8165 125.5929 56.7906 29.1911 176.6822 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 T 8.17 4.40 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 1.20 0.00 0.00 3 I 8.60 4.41 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.90 0.00 0.00 4 Q 9.45 5.09 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 5 L 8.92 4.99 0.00 1.56 1.47 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.36 4.90 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 1.25 0.00 0.00 7 V 8.54 4.78 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 0.95 0.00 0.00 0.81 0.00 0.00 8 P 0.00 4.33 0.00 2.10 2.12 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 9 T 7.82 4.20 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 1.26 0.00 0.00 10 I 7.71 3.71 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.89 0.00 0.00 11 A 8.34 4.52 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 12 C 7.41 4.64 0.00 3.11 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 13 E 8.66 3.93 0.00 2.10 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 2.38 2.44 0.00 14 A 7.96 4.02 1.33 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 15 C 8.07 4.13 0.00 3.16 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 16 A 8.01 3.95 1.33 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 17 E 8.69 3.87 0.00 2.16 2.13 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 2.30 2.20 0.00 18 A 8.05 3.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 3.42 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 0.76 0.00 0.00 0.43 0.00 0.00 20 T 7.89 3.83 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 1.24 0.00 0.00 21 K 8.32 3.97 0.00 1.95 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.60 7.81 22 A 8.41 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.58 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 1.01 0.00 0.00 0.92 0.00 0.00 24 Q 8.25 4.33 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 25 N 8.16 4.35 0.00 2.99 2.86 0.00 0.00 7.08 7.12 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 26 E 7.38 4.70 0.00 2.14 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 2.28 2.44 0.00 27 D 8.20 4.53 0.00 2.70 2.49 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 0.00 28 A 8.43 4.22 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.07 4.32 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 30 A 7.89 4.46 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 31 T 8.59 4.55 4.23 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 1.21 0.00 0.00 32 V 8.27 4.84 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 0.77 0.00 0.00 0.91 0.00 0.00 33 Q 9.20 4.71 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 34 V 8.37 4.80 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 0.81 0.00 0.00 0.89 0.00 0.00 35 D 8.79 4.76 0.00 2.74 2.50 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 36 L 8.72 4.05 0.00 1.67 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.09 4.01 4.39 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 0.00 0.00 0.00 1.21 0.00 0.00 38 S 8.15 4.39 0.00 3.98 3.99 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 39 K 8.05 3.91 0.00 2.06 2.10 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.48 7.81 40 K 7.71 4.74 0.00 1.71 1.70 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.37 7.81 41 V 9.31 4.65 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.85 0.00 0.00 42 T 9.10 5.02 4.23 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 1.20 0.00 0.00 43 I 9.31 4.97 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.90 0.00 0.00 44 T 8.72 4.83 4.23 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 1.21 0.00 0.00 45 S 8.34 4.96 0.00 3.83 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.14 1.33 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 47 L 7.86 4.31 0.00 1.64 1.61 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.74 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 0.00 0.00 0.00 49 E 8.56 3.95 0.00 2.04 1.96 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 2.38 2.40 0.00 50 E 8.15 4.01 0.00 2.14 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 2.40 1.97 0.00 51 Q 8.02 3.99 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 52 L 8.03 3.98 0.00 1.84 1.70 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.32 3.93 0.00 1.97 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 54 T 8.19 3.86 4.43 0.00 0.00 0.00 0.00 0.00 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 55 A 7.91 4.00 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 56 I 8.00 3.90 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 0.90 0.00 0.00 57 A 8.37 4.56 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 58 S 8.26 4.19 0.00 4.03 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 59 A 7.58 4.51 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 60 G 8.10 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.66 4.27 0.00 3.23 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 62 E 8.78 4.51 0.00 1.98 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 2.20 1.86 0.00 63 V 8.13 4.60 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 1.04 0.00 0.00 0.97 0.00 0.00 64 E 8.82 4.17 0.00 2.00 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 2.35 2.40 0.00