NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 72 R 4.3402 8.2549 119.7066 56.0376 32.4037 176.3513 73 R 4.0184 7.9791 115.6691 57.3993 30.9542 173.8368 74 E 3.6425 7.7920 116.3509 56.0472 31.1456 175.4352 75 T 4.4776 8.4199 120.3594 60.9138 68.8876 174.7854 76 T 4.5904 8.3350 127.4273 63.2488 69.0180 174.7876 77 D 4.7802 7.5854 120.2423 52.4076 43.0902 175.1476 78 I 3.8413 8.4488 128.5933 63.1502 38.1029 176.5609 79 G 3.8102 6.8616 105.3013 44.8307 0.0000 170.6277 80 G 3.6534 8.1783 109.7289 45.5559 0.0000 173.7149 81 G 3.4591 7.4769 111.8830 44.0845 0.0000 173.0008 82 K 4.2689 7.9093 121.6018 56.9025 32.6849 176.9399 83 Y 5.0284 7.4136 118.5133 57.9807 36.6291 174.9574 84 T 4.3340 8.8196 118.1630 61.2965 68.6099 174.0619 85 F 4.0791 8.1974 122.2952 60.2588 37.7383 174.9949 86 E 4.5848 7.8995 115.9830 56.3113 32.0408 177.1096 87 L 3.7465 7.9716 119.4771 57.4492 41.7379 176.3569 88 K 3.9028 7.9419 118.9946 59.5139 31.9348 174.6257 89 G 4.0841 8.9420 115.3939 45.4752 0.0000 173.5365 90 K 4.2744 8.1668 118.6449 56.2206 33.6156 176.2516 91 V 4.7064 8.2865 121.8005 61.3710 33.1777 175.0152 92 G 4.3477 9.3806 114.3271 44.3042 0.0000 171.1284 93 K 4.9911 8.4606 120.8174 54.4540 35.1495 175.9125 94 V 4.5271 8.1658 120.6445 61.0859 31.3246 177.0907 95 V 3.9458 8.3756 119.8560 63.2653 32.3946 176.6954 96 K 4.4921 7.5888 118.8143 55.5665 35.2934 173.9306 97 I 4.9122 8.2612 124.9932 59.6837 41.0279 174.9895 98 A 4.2455 7.6099 125.9816 50.7994 22.5067 176.5198 99 E 3.7380 8.9158 125.1520 59.4413 29.6874 177.8072 100 D 4.4849 8.1098 116.1917 57.4427 41.1002 175.6776 101 H 4.8295 7.9372 111.4162 55.3390 32.0258 173.1241 102 Y 4.5800 9.2518 118.2601 56.6233 40.9797 175.0855 103 L 5.0340 9.1687 122.6969 52.7054 43.6403 175.8239 104 V 4.5089 8.3070 125.3283 60.8497 33.7170 174.5409 105 E 4.5582 9.5038 131.4531 56.3672 29.8758 175.0344 106 V 4.6775 9.5216 128.1458 61.5626 34.1189 175.2630 107 E 4.0070 10.1576 123.5427 57.2366 28.4076 174.6725 108 G 3.9104 9.3739 103.8174 46.6298 0.0000 173.5816 109 D 4.6406 8.4204 119.1867 52.1162 45.4718 175.0052 110 K 4.5709 8.7246 123.5874 56.5322 32.4443 176.8641 111 W 4.6348 9.1438 126.1864 55.5464 32.1079 175.5642 112 I 4.9757 8.7605 120.7171 59.7258 37.7854 174.8962 113 A 4.9772 8.9227 128.4044 49.8801 22.8922 174.2636 114 Y 4.9528 7.5807 116.1163 55.3002 40.7899 174.7765 115 S 4.4722 6.8417 117.2979 56.0690 64.7838 173.7095 116 D 4.4339 8.7424 127.1691 56.0566 40.9125 175.8305 117 E 4.4836 7.6539 117.3993 53.7652 30.1179 175.7752 118 K 3.8823 8.5877 122.4271 57.4023 32.5732 176.3507 119 L 4.6232 8.5480 123.0471 53.3539 43.8664 175.5439 120 S 4.7451 8.9741 115.4152 56.1580 65.6106 174.0614 121 L 4.0354 8.6161 123.8874 57.2716 41.4996 177.6452 122 G 3.9773 8.8838 112.1984 44.9905 0.0000 172.6040 123 D 4.6211 8.4282 121.2420 53.9062 42.3513 175.9473 124 R 4.3273 8.5864 122.5037 56.1414 31.6964 175.9321 125 V 4.8309 8.7609 115.9313 59.9058 36.7735 173.7093 126 M 4.9147 8.2502 123.9861 53.4588 34.7664 174.9983 127 V 4.0628 8.3478 126.6360 63.1901 31.9318 176.8873 128 V 3.6952 8.9421 129.7349 64.7237 32.2240 175.9169 129 D 4.5967 7.5213 117.5406 53.2151 44.6655 174.5334 130 V 4.6472 8.2276 122.1548 61.3487 33.7542 175.9539 131 D 4.7427 8.9185 130.4717 53.8950 41.7021 176.9319 132 G 3.8084 8.0454 111.1951 43.9272 0.0000 174.0924 133 L 4.6163 8.2703 119.2490 53.9625 43.5157 176.3777 134 K 5.1315 7.8754 118.5582 53.3078 36.0575 175.2700 135 L 5.5258 8.1907 122.8818 52.5497 42.9131 176.2320 136 K 3.6358 8.4934 124.2702 56.6682 32.9136 176.4437 137 V 4.7444 8.0696 117.9288 59.4833 34.2872 175.4822 138 K 4.4509 8.3504 122.3129 54.2023 35.4676 175.7029 139 R 4.2095 8.8433 125.5165 57.2054 30.3470 175.4063 140 I 4.8037 8.0771 118.4580 58.1284 40.3455 173.7266 141 P 4.4103 0.0000 0.0000 61.8077 32.0022 174.4221 142 P 4.4745 0.0000 0.0000 62.3926 32.1637 177.0397 143 Q 3.9927 8.7548 119.9192 59.6741 29.1523 177.8090 144 L 3.9640 7.8239 116.2469 57.8534 42.0460 177.2539 145 E 4.1636 7.7711 121.6940 56.5659 29.3870 176.3598 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 72 R 8.25 4.34 0.00 1.82 2.03 0.00 3.33 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 73 R 7.98 4.02 0.00 1.88 1.97 0.00 3.41 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 74 E 7.79 3.64 0.00 1.93 1.87 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 2.30 2.36 0.00 75 T 8.42 4.48 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 76 T 8.34 4.59 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 77 D 7.59 4.78 0.00 2.49 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 78 I 8.45 3.84 1.87 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 1.34 0.52 0.90 0.00 0.00 79 G 6.86 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.18 3.65 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 0.00 0.00 0.00 81 G 7.48 3.46 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 0.00 0.00 0.00 0.00 82 K 7.91 4.27 0.00 1.73 1.77 0.00 1.48 0.00 0.00 1.59 0.00 0.00 2.64 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.21 1.25 7.81 83 Y 7.41 5.03 0.00 3.07 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 84 T 8.82 4.33 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 1.59 0.00 0.00 85 F 8.20 4.08 0.00 3.08 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 86 E 7.90 4.58 0.00 2.06 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 2.24 2.32 0.00 87 L 7.97 3.75 0.00 1.30 1.45 1.01 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.94 3.90 0.00 1.79 1.76 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 89 G 8.94 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.17 4.27 0.00 1.91 1.73 0.00 1.50 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.43 7.81 91 V 8.29 4.71 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 92 G 9.38 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 93 K 8.46 4.99 0.00 1.90 1.68 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.41 7.81 94 V 8.17 4.53 2.16 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 0.81 0.00 0.00 1.04 0.00 0.00 95 V 8.38 3.95 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 0.72 0.00 0.00 1.04 0.00 0.00 96 K 7.59 4.49 0.00 1.76 1.59 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.35 7.81 97 I 8.26 4.91 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.58 0.00 0.00 98 A 7.61 4.25 1.01 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 0.00 0.00 99 E 8.92 3.74 0.00 1.86 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 2.30 2.28 0.00 100 D 8.11 4.48 0.00 2.67 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 0.00 101 H 7.94 4.83 0.00 3.30 3.38 0.00 5.29 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 0.00 102 Y 9.25 4.58 0.00 3.11 2.97 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 0.00 103 L 9.17 5.03 0.00 1.63 1.67 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.31 4.51 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 1.11 0.00 0.00 1.02 0.00 0.00 105 E 9.50 4.56 0.00 2.11 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 0.00 2.37 2.30 0.00 106 V 9.52 4.68 2.41 0.00 0.00 0.00 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 1.03 0.00 0.00 107 E 10.16 4.01 0.00 2.34 2.18 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 2.55 2.48 0.00 108 G 9.37 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 0.00 109 D 8.42 4.64 0.00 2.71 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 0.00 0.00 0.00 0.00 110 K 8.72 4.57 0.00 1.60 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.49 7.81 111 W 9.14 4.63 0.00 3.42 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.98 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 1.04 0.00 0.00 113 A 8.92 4.98 1.18 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 0.00 0.00 114 Y 7.58 4.95 0.00 3.01 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 0.00 115 S 6.84 4.47 0.00 3.47 3.03 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 0.00 0.00 0.00 0.00 116 D 8.74 4.43 0.00 2.70 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 0.00 117 E 7.65 4.48 0.00 2.10 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 2.16 2.19 0.00 118 K 8.59 3.88 0.00 1.95 2.00 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.55 7.81 119 L 8.55 4.62 0.00 1.79 1.71 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.97 4.75 0.00 4.04 3.73 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 0.00 121 L 8.62 4.04 0.00 1.64 1.68 0.93 1.07 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 0.00 122 G 8.88 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.43 4.62 0.00 2.72 2.62 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 0.00 124 R 8.59 4.33 0.00 1.77 1.85 0.00 3.08 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 125 V 8.76 4.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.97 0.00 0.00 126 M 8.25 4.91 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.41 0.00 127 V 8.35 4.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.78 0.00 0.00 128 V 8.94 3.70 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 0.60 0.00 0.00 0.88 0.00 0.00 129 D 7.52 4.60 0.00 2.66 2.42 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 0.00 130 V 8.23 4.65 1.97 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 0.48 0.00 0.00 0.83 0.00 0.00 131 D 8.92 4.74 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.05 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.27 4.62 0.00 1.58 1.72 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.88 5.13 0.00 1.72 1.90 0.00 2.25 0.00 0.00 2.02 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.28 7.81 135 L 8.19 5.53 0.00 1.35 1.31 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.49 3.64 0.00 1.59 1.57 0.00 1.23 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 0.92 7.81 137 V 8.07 4.74 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 0.65 0.00 0.00 0.77 0.00 0.00 138 K 8.35 4.45 0.00 1.62 1.62 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.26 7.81 139 R 8.84 4.21 0.00 1.80 2.05 0.00 3.17 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 140 I 8.08 4.80 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.95 0.00 0.00 141 P 0.00 4.41 0.00 2.19 2.09 0.00 3.75 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 1.98 1.94 0.00 142 P 0.00 4.47 0.00 2.24 2.22 0.00 3.70 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 2.07 1.95 0.00 143 Q 8.75 3.99 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 144 L 7.82 3.96 0.00 1.66 1.73 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.77 4.16 0.00 2.14 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 2.34 2.39 0.00