NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 77 M 4.3104 8.1627 120.6043 55.4567 34.0415 174.2181 78 Q 4.2294 8.5274 129.2437 53.5934 29.4532 173.1629 79 I 4.5908 9.0608 121.9427 59.1507 41.4655 173.8679 80 F 5.4255 8.8386 120.6387 55.6745 42.3240 174.7507 81 V 4.7288 9.0054 123.6308 61.0760 33.6428 174.5493 82 K 4.7907 8.8568 130.3263 56.2878 33.8736 176.0182 83 T 5.0715 8.0393 115.8481 60.1380 71.0172 173.5562 84 L 4.2853 8.5634 119.8823 57.4767 42.1716 178.6004 85 T 3.9624 7.8271 108.1408 63.5746 69.0417 174.4072 86 G 4.2476 8.0317 111.3857 45.7810 0.0000 173.2616 87 K 4.6273 8.5118 120.0630 54.5319 35.6016 174.9117 88 T 5.2330 8.6126 123.0455 61.9979 71.0182 173.7230 89 I 4.6349 8.5772 125.0635 59.9007 40.9424 175.2366 90 T 4.6736 8.6823 122.5919 62.7137 68.9880 174.1870 91 L 4.4151 8.5317 128.3985 52.9771 43.4711 176.0998 92 E 4.6244 8.7261 126.6093 55.7007 29.4589 174.9883 93 V 4.5993 8.3763 123.2572 60.0793 35.5173 174.4307 94 E 4.7573 9.5599 120.4331 54.5573 33.4859 174.6217 95 P 4.4294 0.0000 0.0000 64.4525 31.5683 177.3426 96 S 4.4513 7.8380 112.7033 58.1123 62.8348 172.7390 97 D 4.7504 7.6550 119.4874 53.0620 41.9737 176.4398 98 T 4.6337 8.1319 113.3537 61.3816 71.2607 175.9486 99 I 3.7177 8.4766 123.8521 64.6091 37.1575 178.4629 100 E 3.9305 7.9319 119.3299 59.2448 29.4651 178.4371 101 N 4.2967 7.9468 116.8239 56.6009 39.0180 177.0430 102 V 3.5819 7.6783 119.5551 65.9507 31.6078 178.0937 103 K 3.9545 8.2868 118.0754 59.4672 31.6366 179.1494 104 A 4.0288 7.6931 120.0972 54.9150 18.6819 179.5339 105 K 4.0615 7.9043 116.9566 59.8551 32.1091 179.7216 106 I 3.7835 7.8158 119.9072 64.2412 36.8063 178.2918 107 Q 4.6210 8.0419 121.9355 58.4396 28.6147 177.2946 108 D 4.3979 7.7685 117.7585 55.9170 41.3678 177.9099 109 K 4.2361 7.7115 117.7828 58.8683 32.8076 178.4021 110 E 4.2034 8.1435 117.6694 59.9882 29.6520 178.6563 111 G 4.3731 8.0541 106.2613 46.6604 0.0000 173.1178 112 I 4.5532 7.7365 119.5721 57.9069 39.9769 173.8056 113 P 4.6442 0.0000 0.0000 61.9819 32.0852 175.7150 114 P 4.2830 0.0000 0.0000 65.9510 31.5428 178.3128 115 D 4.3904 8.1666 117.5571 56.7075 40.5369 176.6762 116 Q 4.7193 7.9074 117.6523 55.5520 30.1215 175.1021 117 Q 4.8685 8.3617 118.1962 54.4869 32.0273 174.9251 118 R 4.6880 9.0591 123.5106 54.3145 33.6252 175.4078 119 L 5.0633 8.3945 121.8546 53.4506 43.9271 175.4847 120 I 4.8818 8.5113 125.4661 59.9862 40.2947 174.9050 121 F 4.7809 9.3045 124.4217 57.9428 43.3775 173.8961 122 A 3.2146 8.6163 127.7970 53.0913 16.0625 176.5939 123 G 3.9117 8.1370 102.8340 47.6684 0.0000 174.7851 124 K 4.5697 7.7790 117.2456 54.3033 36.2968 175.8247 125 Q 4.4804 8.5837 122.4578 55.2379 29.3299 175.7211 126 L 3.6370 8.3420 125.3611 54.3420 42.1863 177.1184 127 E 4.3988 9.4823 123.1798 56.0220 30.2599 177.8029 128 D 4.3296 8.8663 121.3650 56.8723 41.3831 179.1093 129 G 3.7103 8.0160 107.1057 47.6187 0.0000 174.4560 130 R 4.1520 7.5814 118.8171 56.1896 31.3668 175.9166 131 T 5.8325 7.5792 108.8946 59.5157 71.5458 174.8999 132 L 4.1266 8.3340 119.5101 58.0305 42.2326 179.4462 133 S 4.1249 8.1469 113.5236 61.1128 62.4999 175.8162 134 D 4.2319 7.4100 119.2525 56.7146 40.5067 176.6133 135 Y 4.6765 7.0396 114.7950 57.5017 38.1117 175.0892 136 N 4.1899 8.0020 114.4150 54.0915 36.9184 174.4634 137 I 3.6696 7.6605 119.0742 61.1955 37.3723 175.8306 138 Q 4.6717 8.1647 126.8667 53.9964 31.5789 175.4170 139 K 4.1301 8.3253 116.9624 57.9980 33.4070 176.1483 140 E 3.8783 8.4428 116.9967 57.4650 27.9027 174.9931 141 S 4.6026 7.4916 113.2594 58.5723 64.4926 173.9957 142 T 4.9914 8.7603 121.1318 62.6565 68.7400 173.8970 143 L 4.9158 8.9505 127.9112 53.8848 43.6589 176.3299 144 H 4.7918 9.2800 120.7685 55.4834 30.2733 173.9551 145 L 5.1131 8.3822 124.0119 53.3859 43.9120 175.7672 146 V 4.5077 8.8789 125.9578 61.1582 34.9951 173.8935 147 L 5.2012 8.0970 123.4762 51.7101 43.5526 176.5580 148 R 3.9769 8.6841 125.1575 56.4229 30.8725 175.9737 149 L 4.5118 8.5017 127.0199 53.5165 43.2576 174.5243 150 R 4.8930 8.1217 124.7188 53.8864 34.6851 177.8186 151 G 4.1248 8.0918 114.5260 46.1311 0.0000 174.0524 152 G 4.0040 9.0714 113.9571 45.7083 0.0000 173.0198 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 77 M 8.16 4.31 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 78 Q 8.53 4.23 0.00 2.15 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.60 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 79 I 9.06 4.59 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.40 0.86 0.00 0.00 80 F 8.84 5.43 0.00 3.05 2.90 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 0.00 0.00 0.00 0.00 81 V 9.01 4.73 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 1.10 0.00 0.00 0.95 0.00 0.00 82 K 8.86 4.79 0.00 1.86 1.56 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.36 7.81 83 T 8.04 5.07 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 1.22 0.00 0.00 84 L 8.56 4.29 0.00 1.66 1.77 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.83 3.96 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 1.21 0.00 0.00 86 G 8.03 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 0.00 0.00 0.00 0.00 87 K 8.51 4.63 0.00 1.81 1.61 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 88 T 8.61 5.23 4.19 0.00 0.00 0.00 0.00 0.00 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 89 I 8.58 4.63 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.94 0.00 0.00 90 T 8.68 4.67 4.29 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 1.06 0.00 0.00 91 L 8.53 4.42 0.00 1.57 1.55 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.73 4.62 0.00 1.92 1.86 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 2.22 2.28 0.00 93 V 8.38 4.60 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 0.71 0.00 0.00 0.93 0.00 0.00 94 E 9.56 4.76 0.00 2.06 1.77 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 2.19 2.18 0.00 95 P 0.00 4.43 0.00 2.19 2.26 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 96 S 7.84 4.45 0.00 3.80 3.82 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 0.00 0.00 0.00 97 D 7.66 4.75 0.00 2.85 2.54 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 98 T 8.13 4.63 4.42 0.00 0.00 0.00 0.00 0.00 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 99 I 8.48 3.72 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.04 0.90 0.00 0.00 100 E 7.93 3.93 0.00 2.20 1.95 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 2.31 2.32 0.00 101 N 7.95 4.30 0.00 2.78 2.98 0.00 0.00 6.83 8.88 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 0.00 102 V 7.68 3.58 2.26 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 0.96 0.00 0.00 0.96 0.00 0.00 103 K 8.29 3.95 0.00 2.05 1.85 0.00 1.72 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.69 7.81 104 A 7.69 4.03 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 0.00 105 K 7.90 4.06 0.00 2.04 1.86 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 106 I 7.82 3.78 2.16 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.93 0.00 0.00 107 Q 8.04 4.62 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 108 D 7.77 4.40 0.00 2.73 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 0.00 109 K 7.71 4.24 0.00 1.77 1.84 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.66 7.81 110 E 8.14 4.20 0.00 2.08 2.01 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 2.35 2.48 0.00 111 G 8.05 4.37 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 0.00 112 I 7.74 4.55 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.89 0.91 0.00 0.00 113 P 0.00 4.64 0.00 2.22 2.18 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 114 P 0.00 4.28 0.00 2.24 2.35 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 115 D 8.17 4.39 0.00 2.69 2.79 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 0.00 116 Q 7.91 4.72 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 117 Q 8.36 4.87 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 118 R 9.06 4.69 0.00 1.73 1.80 0.00 3.08 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 119 L 8.39 5.06 0.00 1.53 1.53 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.51 4.88 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.01 0.92 0.00 0.00 121 F 9.30 4.78 0.00 3.08 2.79 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 0.00 122 A 8.62 3.21 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.14 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 0.00 0.00 0.00 124 K 7.78 4.57 0.00 2.01 1.67 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.43 7.81 125 Q 8.58 4.48 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 126 L 8.34 3.64 0.00 1.45 1.21 0.76 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.48 4.40 0.00 2.08 1.94 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 2.39 2.43 0.00 128 D 8.87 4.33 0.00 2.73 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 0.00 129 G 8.02 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.58 4.15 0.00 2.13 1.85 0.00 3.05 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 131 T 7.58 5.83 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 1.26 0.00 0.00 132 L 8.33 4.13 0.00 1.71 1.70 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.15 4.12 0.00 3.92 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 0.00 134 D 7.41 4.23 0.00 2.30 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 0.00 0.00 0.00 0.00 135 Y 7.04 4.68 0.00 2.94 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 0.00 136 N 8.00 4.19 0.00 2.95 2.94 0.00 0.00 6.89 6.74 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 0.00 137 I 7.66 3.67 1.81 0.00 0.00 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 0.35 0.34 0.66 0.00 0.00 138 Q 8.16 4.67 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.05 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 139 K 8.33 4.13 0.00 1.94 1.90 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 140 E 8.44 3.88 0.00 2.17 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 0.00 2.37 2.28 0.00 141 S 7.49 4.60 0.00 4.01 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 0.00 142 T 8.76 4.99 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 1.22 0.00 0.00 143 L 8.95 4.92 0.00 1.64 1.64 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 144 H 9.28 4.79 0.00 3.26 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.38 5.11 0.00 1.70 1.58 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.88 4.51 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 1.01 0.00 0.00 0.94 0.00 0.00 147 L 8.10 5.20 0.00 1.54 1.56 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.68 3.98 0.00 1.89 1.84 0.00 3.18 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 149 L 8.50 4.51 0.00 1.58 1.52 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.12 4.89 0.00 1.79 1.82 0.00 3.43 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 151 G 8.09 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 0.00 0.00 0.00 0.00 152 G 9.07 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 0.00 0.00 0.00