NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 96 A 4.1469 8.2644 123.5808 52.3437 19.1895 178.7853 97 D 4.4146 8.6486 120.2056 54.2851 40.3405 173.7801 98 M 4.3810 8.9368 127.3428 53.4926 34.3282 176.0935 99 I 3.6965 8.4795 123.4242 62.8143 36.7785 175.2727 100 G 4.0806 8.2095 123.6821 45.2336 0.0000 174.3873 101 V 3.5363 7.4216 113.4223 63.8915 31.8453 178.3335 102 K 3.8849 8.2638 118.3172 60.1002 31.9180 178.2491 103 E 4.1279 8.5321 118.6757 59.0993 29.2354 179.3612 104 L 4.2519 8.3780 119.8856 57.6433 41.7094 179.1819 105 R 3.4524 8.2166 118.2676 59.6117 30.0956 177.9769 106 D 4.4095 8.1867 116.7730 56.8306 41.1215 178.1117 107 A 4.2105 8.0351 121.3514 55.0893 18.2560 179.1139 108 F 4.1360 8.8592 119.6984 61.7000 39.2990 177.4589 109 R 3.9559 7.7478 113.8281 59.3277 29.0011 177.8749 110 E 3.9992 7.8300 118.7568 58.6079 29.7738 177.8868 111 F 4.3873 8.3358 116.8285 58.1276 40.3125 175.2434 112 D 4.2704 9.1544 119.6002 53.8110 39.7327 176.9232 113 T 3.9424 8.0195 113.8848 63.3027 68.1573 175.4007 114 N 4.8662 8.5440 116.7613 52.5964 38.7852 173.8587 115 G 4.0456 8.1543 103.5094 45.3692 0.0000 175.0305 116 D 4.5298 8.9530 115.4024 54.8721 38.5801 174.6053 117 G 4.0266 9.0440 105.0174 44.6747 0.0000 172.9992 118 E 5.1110 7.3497 118.7951 55.0951 33.4784 174.3645 119 I 4.6673 8.8515 118.6030 59.2896 41.5863 174.3066 120 S 5.0112 7.8026 115.7126 56.9063 65.0947 175.4028 121 T 3.8470 8.6885 113.0739 65.3160 67.9777 176.4634 122 S 4.2784 7.9033 116.0932 61.3808 63.0583 176.2116 123 E 3.8549 7.8672 122.2712 58.6952 29.1234 179.0211 124 L 3.1996 7.9292 120.6945 57.6517 42.1044 178.6780 125 R 3.8961 8.6932 119.8266 59.8017 30.0975 178.3949 126 E 4.0527 8.2283 117.7483 58.9902 29.1735 179.2488 127 A 4.2115 7.6411 121.2880 55.3180 18.5212 179.2559 128 M 4.0803 8.8462 117.9544 59.0264 32.0949 178.7252 129 R 3.9152 7.7579 116.4899 58.3262 30.2093 178.4926 130 K 4.2144 7.6507 118.6997 57.6951 33.0830 176.9541 131 L 4.2330 8.8307 118.3750 56.3683 41.3660 175.5177 132 L 4.0510 8.9234 127.8938 55.4836 41.9190 176.0071 133 G 4.0372 7.2632 103.9591 45.7639 0.0000 172.2252 134 H 4.9190 8.2578 124.5832 53.5720 27.6276 175.6829 135 Q 3.3226 9.3094 128.5912 57.6370 27.1568 173.8328 136 V 4.2266 7.8024 110.5943 60.4543 33.8547 172.5570 137 G 3.6424 8.2933 114.6204 45.9630 0.0000 173.6570 138 H 4.2592 8.5651 123.1468 58.5652 27.9748 177.4053 139 R 3.9831 7.6352 120.4440 59.0385 29.9759 178.0012 140 D 4.3232 8.5400 118.2176 57.4001 41.1887 178.4129 141 I 3.6795 7.6972 119.5838 64.6627 37.0310 178.0929 142 E 4.0152 7.8696 117.5092 59.2283 29.4030 178.9845 143 E 4.0574 8.2270 119.4150 59.5403 29.5989 178.8395 144 I 3.5922 7.4683 118.2225 64.3700 37.2242 177.7446 145 I 4.0528 7.3522 118.1406 62.5813 37.2799 177.2902 146 R 4.1804 8.3423 119.5650 58.1081 30.2146 177.0462 147 D 4.5643 8.0031 117.1381 56.4207 41.3049 176.7660 148 V 4.3918 7.2890 108.8569 59.6053 34.3095 174.2878 149 D 4.6888 8.0791 119.0095 52.3211 43.9212 174.6479 150 L 4.3474 8.2942 125.9541 56.3464 41.1994 175.9135 151 N 4.9560 7.8666 111.9835 52.7312 45.0478 176.4300 152 G 4.7608 7.3318 116.2128 46.4151 0.0000 173.4349 153 D 4.8759 7.4043 119.6439 53.1218 41.8945 176.2386 154 G 3.6689 8.3199 108.7762 46.1742 0.0000 173.7887 155 R 4.9212 8.3922 124.1383 54.0760 34.0555 175.6921 156 V 4.6242 8.5417 121.4862 60.2500 34.7612 174.4270 157 D 5.3526 8.8307 124.3548 52.1025 41.0863 176.9718 158 F 3.7421 8.5230 121.2660 61.7023 38.7458 177.0332 159 E 3.6182 8.0397 117.1111 59.4527 29.2721 178.6367 160 E 3.8753 10.7800 118.5271 59.3522 29.4526 178.7485 161 F 4.3249 8.7084 119.9382 61.5861 39.1007 176.9292 162 V 2.9195 8.3519 118.0243 65.5626 30.9173 177.9291 163 R 4.0982 8.5564 119.6667 59.6468 29.7477 178.3342 164 M 4.0312 8.1124 117.5017 58.4747 32.0450 177.1287 165 M 4.1534 7.4512 118.5065 57.1332 32.5337 177.2175 166 S 4.0822 9.3413 115.1337 59.8496 62.9676 174.7003 167 R 4.0546 7.9582 122.3950 57.1795 29.2716 176.2631 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 96 A 8.26 4.15 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 97 D 8.65 4.41 0.00 2.70 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 98 M 8.94 4.38 0.00 2.04 1.95 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 2.54 2.54 0.00 99 I 8.48 3.70 1.88 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 1.35 0.35 0.92 0.00 0.00 100 G 8.21 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 0.00 101 V 7.42 3.54 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 0.65 0.00 0.00 0.92 0.00 0.00 102 K 8.26 3.88 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.58 7.81 103 E 8.53 4.13 0.00 2.18 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 0.00 2.37 2.43 0.00 104 L 8.38 4.25 0.00 1.84 1.68 0.88 -0.26 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 0.00 105 R 8.22 3.45 0.00 2.02 2.12 0.00 2.47 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 106 D 8.19 4.41 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.04 4.21 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 0.00 0.00 0.00 0.00 0.00 108 F 8.86 4.14 0.00 3.19 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 0.00 109 R 7.75 3.96 0.00 1.98 2.08 0.00 3.13 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 110 E 7.83 4.00 0.00 2.00 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 1.75 2.12 0.00 111 F 8.34 4.39 0.00 3.04 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 0.00 112 D 9.15 4.27 0.00 2.24 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 0.00 113 T 8.02 3.94 4.21 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 0.00 0.00 0.00 1.25 0.00 0.00 114 N 8.54 4.87 0.00 2.62 2.74 0.00 0.00 6.79 7.98 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 0.00 115 G 8.15 4.05 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 0.00 0.00 0.00 116 D 8.95 4.53 0.00 2.90 2.85 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 0.00 117 G 9.04 4.03 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 0.00 0.00 0.00 118 E 7.35 5.11 0.00 2.04 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 2.25 2.30 0.00 119 I 8.85 4.67 1.64 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.41 0.46 0.00 0.00 120 S 7.80 5.01 0.00 4.00 3.76 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 0.00 121 T 8.69 3.85 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 1.18 0.00 0.00 122 S 7.90 4.28 0.00 4.04 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 0.00 123 E 7.87 3.85 0.00 2.14 1.74 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 2.52 2.67 0.00 124 L 7.93 3.20 0.00 1.06 1.55 0.47 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.69 3.90 0.00 1.81 1.99 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 126 E 8.23 4.05 0.00 2.24 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 2.35 2.46 0.00 127 A 7.64 4.21 0.77 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 0.00 0.00 128 M 8.85 4.08 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 129 R 7.76 3.92 0.00 2.02 2.02 0.00 3.40 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 130 K 7.65 4.21 0.00 2.12 1.96 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.18 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.53 7.81 131 L 8.83 4.23 0.00 1.92 1.94 1.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.92 4.05 0.00 1.88 1.94 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.26 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.26 4.92 0.00 3.25 2.52 0.00 5.97 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 9.31 3.32 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 136 V 7.80 4.23 2.19 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 0.73 0.00 0.00 0.98 0.00 0.00 137 G 8.29 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 H 8.57 4.26 0.00 3.29 3.53 0.00 5.46 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 0.00 139 R 7.64 3.98 0.00 1.82 2.01 0.00 3.14 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.54 0.00 140 D 8.54 4.32 0.00 2.75 2.71 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 0.00 141 I 7.70 3.68 2.02 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 1.68 1.03 0.93 0.00 0.00 142 E 7.87 4.02 0.00 2.13 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 0.00 2.36 2.47 0.00 143 E 8.23 4.06 0.00 2.32 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 2.31 2.35 0.00 144 I 7.47 3.59 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.66 0.96 0.00 0.00 145 I 7.35 4.05 2.01 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 1.58 0.76 0.89 0.00 0.00 146 R 8.34 4.18 0.00 1.83 2.08 0.00 3.35 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 147 D 8.00 4.56 0.00 2.69 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 0.00 148 V 7.29 4.39 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 0.93 0.00 0.00 149 D 8.08 4.69 0.00 2.55 2.46 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 0.00 150 L 8.29 4.35 0.00 1.78 1.67 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 151 N 7.87 4.96 0.00 2.67 2.84 0.00 0.00 6.79 7.73 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 0.00 152 G 7.33 4.76 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 0.00 0.00 0.00 153 D 7.40 4.88 0.00 2.63 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 0.00 154 G 8.32 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 0.00 0.00 0.00 155 R 8.39 4.92 0.00 1.67 1.83 0.00 3.18 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 156 V 8.54 4.62 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 0.88 0.00 0.00 1.07 0.00 0.00 157 D 8.83 5.35 0.00 2.93 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 0.00 158 F 8.52 3.74 0.00 1.51 2.51 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 0.00 159 E 8.04 3.62 0.00 2.17 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 0.00 2.34 2.35 0.00 160 E 10.78 3.88 0.00 2.33 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 2.31 2.50 0.00 161 F 8.71 4.32 0.00 2.93 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 0.00 162 V 8.35 2.92 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 -1.14 0.00 0.00 163 R 8.56 4.10 0.00 1.77 2.01 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 164 M 8.11 4.03 0.00 2.03 2.39 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.58 0.00 165 M 7.45 4.15 0.00 1.94 1.67 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 166 S 9.34 4.08 0.00 3.77 3.76 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 0.00 167 R 7.96 4.05 0.00 1.89 1.98 0.00 3.26 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00