NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.2489 8.2431 121.1248 56.4284 30.8809 174.6480 19 G 4.2613 8.3263 113.9627 43.9758 0.0000 169.3380 20 Q 4.9878 9.2623 119.1642 55.1720 33.8280 171.0286 21 I 4.9380 9.2545 126.4709 59.6359 40.0980 174.4340 22 Q 5.0882 9.5224 126.3121 53.9849 32.0524 174.7096 23 V 4.6344 8.8535 123.2403 61.2042 34.6605 174.2012 24 I 4.6082 9.1659 129.7256 60.0257 38.6610 175.2125 25 L 5.3697 9.4964 127.9110 51.6398 44.6687 176.2994 26 G 4.3339 8.0044 109.2174 43.9254 0.0000 170.1894 27 P 4.7062 0.0000 0.0000 61.5461 32.0583 175.8331 28 M 3.7273 8.3017 117.7989 56.7579 32.0038 177.3387 29 F 4.1154 8.1867 118.4548 58.5656 36.2796 175.9048 30 S 4.6187 7.6267 114.2323 57.6723 63.4995 174.1176 31 G 3.8811 8.0494 109.1621 47.1300 0.0000 176.3604 32 K 3.9360 8.2345 121.0645 59.4429 32.1293 178.8094 33 S 4.1819 8.0106 114.8320 61.6840 62.7236 176.7316 34 T 3.8882 7.8256 118.1122 66.6574 68.3374 176.2388 35 E 3.9159 8.2851 121.2611 58.9050 29.5775 178.4926 36 L 3.9449 8.0636 120.5061 58.6237 42.1318 179.0064 37 M 4.0854 8.1244 118.5165 58.1448 31.7468 178.6303 38 R 3.8811 8.2467 119.1363 59.7053 29.9641 178.8593 39 R 3.9594 8.0446 117.7153 59.1797 30.0627 179.2991 40 V 3.7249 8.0759 118.1679 66.2108 31.5527 178.4130 41 R 4.0476 8.3675 117.9215 59.0680 29.4697 179.0650 42 R 3.8523 7.8174 117.9086 59.3981 30.0068 179.0243 43 F 4.3447 7.7659 117.1558 60.3235 38.9348 177.6487 44 Q 4.2658 8.3457 119.2913 59.4160 28.6672 178.3886 45 I 3.6160 7.9488 118.5088 63.5808 38.1744 175.9152 46 A 4.4822 7.4558 122.1320 52.1005 18.3765 177.1185 47 Q 3.7936 8.2837 115.1464 58.1024 26.5024 173.4094 48 Y 4.3168 7.9356 115.3614 57.6571 38.9588 175.7385 49 K 4.3396 8.7413 122.6751 56.6262 33.3577 175.7744 50 C 5.4223 8.7254 121.6664 57.8869 32.0979 173.1844 51 L 4.8042 8.8537 123.1095 53.3523 45.6168 174.9973 52 V 4.8596 8.4562 124.9077 61.1736 34.4579 173.8710 53 I 5.0099 8.9899 128.3548 59.4017 39.9770 174.5446 54 K 5.0292 9.1922 127.4841 54.4329 35.8573 174.2271 55 Y 4.8267 8.2748 125.9257 57.3083 38.9978 176.4373 56 A 3.7842 8.3894 131.1316 55.1129 18.6444 178.0656 57 K 3.9848 6.0214 112.5765 56.3677 31.7154 176.6741 58 D 4.6414 7.2021 120.1006 52.6011 41.4721 176.1769 59 T 4.5935 7.8870 121.5867 60.8575 69.0980 176.3359 60 R 3.9414 7.7355 120.5468 59.5828 31.0978 177.4642 *75 A 4.3783 7.5770 118.7881 51.8155 18.5834 175.2224 76 L 4.2725 8.6010 121.6445 53.0911 43.1137 175.7847 77 P 5.0012 0.0000 0.0000 63.0832 32.3330 175.4304 78 A 4.6668 8.9670 121.9975 51.7500 22.5020 176.6408 79 C 4.4202 8.9228 116.2919 60.0407 30.4099 174.7959 80 L 5.1068 7.6560 118.3965 52.6565 44.9583 177.5217 81 L 3.5505 8.9498 122.5994 57.3335 42.0173 179.0961 82 R 3.9914 8.6578 119.4045 59.7269 29.8776 177.7774 83 D 4.5683 7.8661 114.7733 56.1113 40.9887 176.8033 84 V 4.5697 8.1660 116.0876 60.1511 33.2689 176.7250 85 A 4.4089 7.9887 121.5386 56.1948 17.8280 179.6256 86 Q 4.0340 8.0147 115.5055 58.9135 29.2287 177.9013 87 E 4.1155 8.1972 119.0614 59.3726 29.6549 179.0899 88 A 4.1624 8.1233 120.8070 55.1255 18.2593 179.6652 89 L 4.1008 8.0228 116.6442 57.2598 41.7276 178.9791 90 G 3.9317 7.5561 103.4808 44.2668 0.0000 173.2888 91 V 4.4903 7.0782 112.6246 59.3797 35.1250 175.1263 92 A 4.4509 8.7218 121.9819 53.1323 20.6823 177.5781 93 V 4.5957 7.6336 115.0276 61.0526 34.8128 174.4905 94 I 4.9074 8.9114 129.0012 59.5076 39.9939 174.6437 95 G 4.4075 9.3419 114.8982 44.5742 0.0000 172.4137 96 I 5.0406 8.7068 124.2763 59.3661 39.1616 173.9131 97 D 4.8865 9.3166 127.8935 53.1211 43.3566 176.0538 98 E 3.9813 8.7548 123.0583 57.4431 26.9914 176.5317 99 G 3.8805 8.3147 108.8515 48.1284 0.0000 175.7991 100 Q 3.7344 7.5934 117.3075 58.8475 28.4622 177.4283 101 F 4.0595 7.1690 115.0165 58.2527 39.2124 175.1933 102 F 4.5925 7.7704 121.0029 55.3868 39.2862 175.1547 103 P 4.3694 0.0000 0.0000 64.8224 31.6098 176.9037 104 D 5.3199 7.9691 115.9049 52.3697 40.1081 177.8545 105 I 3.6584 7.7680 122.2476 64.9760 37.7690 177.8215 106 V 3.5723 7.7551 118.5119 66.0917 31.5288 177.7275 107 E 4.0146 8.1640 116.9679 59.1998 29.4046 178.6734 108 F 4.1316 8.3807 121.5497 61.3717 39.4625 176.9457 109 C 4.0531 8.1510 116.2717 62.6470 27.9344 175.7474 110 E 3.8262 8.1652 120.6131 59.2918 29.2371 178.6217 111 A 3.9257 7.9661 120.7564 55.5304 18.3975 179.5979 112 M 3.7692 7.9624 117.0550 58.3316 32.0168 178.9107 113 A 4.1744 8.1412 121.2217 55.1334 18.2974 179.3426 114 N 4.3987 8.0752 113.8123 55.5315 38.6846 176.4673 115 A 4.3947 7.3375 120.1817 51.9274 18.7575 177.9424 116 G 3.8680 7.9242 106.0714 45.3306 0.0000 174.0221 117 K 4.4027 7.8813 119.2954 55.9651 34.0748 176.3113 118 T 4.5536 8.2896 120.3473 62.7690 69.7152 173.9208 119 V 4.7421 8.9690 127.8362 61.0699 33.9465 174.3102 120 I 4.8803 8.8069 128.9616 59.4754 40.3105 174.5419 121 V 4.7544 8.8596 127.2839 60.9856 34.0831 173.8895 122 A 5.0844 9.0662 130.1808 50.7382 21.0571 175.5848 123 A 4.7333 8.4501 121.6506 50.5134 23.2554 175.7823 124 L 4.6484 8.6067 121.5896 54.5410 41.8905 177.5019 125 D 4.5218 8.9559 122.5870 54.8663 40.3089 176.5675 126 G 4.3921 7.7279 106.5598 43.3103 0.0000 172.4843 127 T 4.1114 8.2772 112.7623 60.1234 70.0883 175.2411 128 F 5.0212 8.9118 115.0245 59.0365 37.6752 175.7484 129 Q 4.1793 7.1577 118.4666 54.0042 28.7033 175.4838 130 R 3.6832 7.5275 115.9236 57.4992 28.3026 176.0728 131 K 4.5990 7.2851 114.4448 53.3822 35.3694 174.4550 132 P 4.4513 0.0000 0.0000 63.3378 31.2817 176.5710 133 F 4.3672 8.8861 125.6376 57.3671 39.0850 175.9229 134 G 4.0381 8.3428 120.3299 46.9727 0.0000 172.4625 135 A 4.5771 8.3917 127.4525 51.9544 19.5533 178.5271 136 I 3.6914 7.4775 119.3278 64.9426 37.9314 177.9750 137 L 4.1775 7.8815 118.5871 56.9365 41.3885 178.5319 138 N 4.5044 7.8635 115.4069 55.5413 38.6607 176.7689 139 L 4.1303 7.9243 120.9560 57.2486 41.6040 179.2567 140 V 3.5512 7.6486 118.5522 65.7751 31.3081 176.3994 141 P 4.3921 0.0000 0.0000 64.5308 31.2850 177.5555 142 L 4.3202 7.6797 116.1029 54.1024 42.4596 176.1678 143 A 4.6434 7.1517 122.4901 50.5956 20.3243 176.9753 144 E 4.3004 8.4275 119.4930 57.9374 30.9312 176.8274 145 S 4.6841 7.9564 115.0565 56.3746 65.8500 172.7477 146 V 5.0087 8.4635 126.1256 61.2013 34.3325 174.5768 147 V 4.5720 8.8472 126.6153 59.6791 35.0930 174.2627 148 K 4.8403 8.5258 123.4556 54.7291 33.7758 175.7378 149 L 4.4573 8.8423 128.1982 54.7657 42.8796 176.2867 150 T 4.7666 8.3600 116.0631 62.0700 71.4493 173.8719 151 A 4.8151 8.7236 126.6451 50.4497 22.6882 174.9124 152 V 4.5367 8.1114 117.2874 61.2700 33.3249 175.5161 153 C 4.4079 9.4500 129.4619 60.0845 32.0948 173.8260 154 M 4.3223 8.9771 125.5513 56.0072 31.8851 176.5963 155 E 4.2810 7.6527 117.8386 56.4362 31.8346 176.2477 156 C 4.4343 7.0722 109.8394 56.5073 31.0837 174.7505 157 F 4.4567 7.3928 117.6887 58.5450 36.5653 175.1673 158 R 4.5417 7.1424 121.1828 54.9568 32.4966 175.3758 159 E 4.5766 8.7673 118.9970 56.8835 30.1753 176.6879 160 A 4.9389 9.1104 125.3998 50.2473 21.5134 176.5039 161 A 4.3328 8.3352 121.1525 51.4915 20.8704 175.3613 162 Y 4.9639 7.7248 111.9905 56.0825 43.0151 174.6149 163 S 5.2461 8.8108 116.6537 56.9480 65.6693 172.9224 164 K 4.9740 9.4703 127.4357 54.6148 33.9541 175.1687 165 R 4.1308 8.7940 128.4723 56.3567 30.1627 176.0994 166 L 4.0140 8.4266 127.0237 57.4915 42.4408 177.7553 167 G 4.0657 7.7328 105.8597 44.2060 0.0000 173.0413 168 T 4.4297 8.0713 109.3333 60.7987 69.6311 174.1073 169 E 4.0032 7.8426 121.2102 56.9111 29.9625 177.5187 170 K 4.4501 8.3597 119.6837 56.7613 33.7158 176.8877 171 E 4.2400 7.9028 116.5815 55.7125 30.3695 176.9326 172 V 3.7812 8.5125 121.6429 66.1759 31.7093 176.4181 173 E 4.4643 8.1157 125.6519 55.4866 28.6366 176.1202 174 V 4.3370 8.2582 125.8800 60.7498 33.3340 175.0326 175 I 4.0326 8.5657 128.8482 60.4171 37.6318 176.1484 176 G 4.2983 8.0315 114.4705 45.9797 0.0000 173.4791 177 G 4.3339 7.6801 109.1017 45.3333 0.0000 176.3716 178 A 4.9696 9.1730 125.6444 53.3927 18.6168 178.2233 179 D 4.5573 8.2087 114.8945 55.0976 40.1415 177.1408 180 K 4.4333 8.2285 117.5068 56.4514 34.6507 175.7646 181 Y 5.4382 8.0740 116.6181 56.6505 42.9082 173.5577 182 H 5.5716 9.3053 119.4838 53.8535 32.2135 173.6700 183 S 5.0610 9.0283 117.6663 58.7351 64.5259 173.4709 184 V 4.9533 9.0188 116.2728 59.6873 36.6117 175.2012 185 C 4.9079 8.5917 118.0582 57.2564 31.2152 174.4770 186 R 4.0587 8.9487 118.8460 59.7827 29.6696 177.8300 187 L 4.3127 8.0449 118.0575 58.3076 41.6162 179.2962 188 C 4.2055 8.1735 116.0630 62.7634 27.6829 175.1891 189 Y 3.9077 8.2998 121.3631 60.3584 38.1175 177.5005 190 F 4.7882 7.7128 115.3534 56.2444 39.7518 176.3330 191 K 3.9971 7.2046 119.6369 56.8084 32.3893 177.0954 192 K 4.1867 8.6242 121.9026 56.5404 32.2360 176.2526 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 18 R 8.24 4.25 0.00 1.85 1.97 0.00 3.20 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 19 G 8.33 4.26 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 0.00 20 Q 9.26 4.99 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 21 I 9.25 4.94 1.85 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 1.19 1.00 0.90 0.00 0.00 22 Q 9.52 5.09 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 23 V 8.85 4.63 2.07 0.00 0.00 0.00 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 0.92 0.00 0.00 24 I 9.17 4.61 1.86 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 1.23 0.64 0.90 0.00 0.00 25 L 9.50 5.37 0.00 1.63 1.55 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.00 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 0.00 0.00 0.00 0.00 27 P 0.00 4.71 0.00 2.20 2.21 0.00 3.82 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 28 M 8.30 3.73 0.00 0.63 1.50 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.08 0.00 29 F 8.19 4.12 0.00 3.26 3.14 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 0.00 0.00 0.00 0.00 30 S 7.63 4.62 0.00 4.28 3.97 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 31 G 8.05 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.23 3.94 0.00 1.78 1.86 0.00 1.88 0.00 0.00 1.97 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 33 S 8.01 4.18 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.83 3.89 4.41 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 0.00 0.00 0.00 1.23 0.00 0.00 35 E 8.29 3.92 0.00 2.10 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 0.00 2.31 2.36 0.00 36 L 8.06 3.94 0.00 1.88 1.91 0.97 0.87 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 37 M 8.12 4.09 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.85 0.00 38 R 8.25 3.88 0.00 1.97 2.10 0.00 3.09 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 1.62 1.68 0.00 39 R 8.04 3.96 0.00 2.10 2.07 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 40 V 8.08 3.72 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 1.08 0.00 0.00 1.03 0.00 0.00 41 R 8.37 4.05 0.00 1.96 1.99 0.00 3.21 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 42 R 7.82 3.85 0.00 1.87 1.66 0.00 3.05 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 43 F 7.77 4.34 0.00 3.11 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 44 Q 8.35 4.27 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 45 I 7.95 3.62 2.09 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 1.25 1.21 1.00 0.00 0.00 46 A 7.46 4.48 1.49 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 0.00 0.00 47 Q 8.28 3.79 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 48 Y 7.94 4.32 0.00 3.07 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 49 K 8.74 4.34 0.00 1.76 1.77 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.49 7.81 50 C 8.73 5.42 0.00 2.85 2.81 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 51 L 8.85 4.80 0.00 1.73 1.45 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.46 4.86 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 0.98 0.00 0.00 0.95 0.00 0.00 53 I 8.99 5.01 1.68 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 1.03 0.56 0.74 0.00 0.00 54 K 9.19 5.03 0.00 1.80 1.66 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.43 7.81 55 Y 8.27 4.83 0.00 3.01 2.80 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 56 A 8.39 3.78 1.09 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 57 K 6.02 3.98 0.00 1.03 1.55 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 0.93 7.81 58 D 7.20 4.64 0.00 2.55 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 59 T 7.89 4.59 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 1.14 0.00 0.00 60 R 7.74 3.94 0.00 1.87 2.07 0.00 3.27 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 *75 A 7.58 4.38 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 4.27 0.00 1.63 1.62 0.93 0.86 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 77 P 0.00 5.00 0.00 2.03 2.02 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 78 A 8.97 4.67 1.42 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 0.00 0.00 79 C 8.92 4.42 0.00 2.98 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 80 L 7.66 5.11 0.00 1.88 1.58 0.97 0.76 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 81 L 8.95 3.55 0.00 1.37 0.13 0.34 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.66 3.99 0.00 1.90 2.01 0.00 3.13 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 83 D 7.87 4.57 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.72 4.45 1.46 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 93 V 7.63 4.60 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 0.72 0.00 0.00 0.03 0.00 0.00 94 I 8.91 4.91 1.88 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 1.19 0.66 1.03 0.00 0.00 95 G 9.34 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.71 5.04 1.81 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 0.86 0.59 0.69 0.00 0.00 97 D 9.32 4.89 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 3.98 0.00 2.42 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 2.34 2.36 0.00 99 G 8.31 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.59 3.73 0.00 1.40 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.01 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 101 F 7.17 4.06 0.00 1.98 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 0.00 102 F 7.77 4.59 0.00 3.14 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 0.00 103 P 0.00 4.37 0.00 2.10 2.17 0.00 3.79 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 2.09 2.12 0.00 104 D 7.97 5.32 0.00 2.92 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 0.00 105 I 7.77 3.66 2.17 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 1.21 0.97 0.00 0.00 106 V 7.76 3.57 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 1.05 0.00 0.00 0.95 0.00 0.00 107 E 8.16 4.01 0.00 2.23 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 2.64 2.37 0.00 108 F 8.38 4.13 0.00 3.19 3.09 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 0.00 109 C 8.15 4.05 0.00 3.06 2.96 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 0.00 110 E 8.17 3.83 0.00 2.13 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 0.00 2.29 2.34 0.00 111 A 7.97 3.93 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 0.00 112 M 7.96 3.77 0.00 1.73 1.72 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.65 0.00 113 A 8.14 4.17 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 0.00 114 N 8.08 4.40 0.00 2.74 2.85 0.00 0.00 6.99 6.66 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 0.00 115 A 7.34 4.39 1.24 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 0.00 0.00 0.00 116 G 7.92 3.87 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 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0.00 2.86 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 0.00 126 G 7.73 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 0.00 0.00 0.00 0.00 127 T 8.28 4.11 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 0.44 0.00 0.00 128 F 8.91 5.02 0.00 3.32 3.43 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 0.00 129 Q 7.16 4.18 0.00 1.59 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.00 130 R 7.53 3.68 0.00 1.60 1.69 0.00 2.21 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.63 0.00 131 K 7.29 4.60 0.00 1.59 1.56 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.44 7.81 132 P 0.00 4.45 0.00 2.03 2.01 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 133 F 8.89 4.37 0.00 3.00 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 0.00 134 G 8.34 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 0.00 135 A 8.39 4.58 1.31 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 0.00 0.00 0.00 136 I 7.48 3.69 1.86 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 1.44 1.16 1.06 0.00 0.00 137 L 7.88 4.18 0.00 1.73 1.70 0.92 0.73 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 0.00 138 N 7.86 4.50 0.00 2.91 2.89 0.00 0.00 7.00 7.13 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 0.00 139 L 7.92 4.13 0.00 1.89 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.65 3.55 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 1.03 0.00 0.00 0.96 0.00 0.00 141 P 0.00 4.39 0.00 2.06 2.09 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 142 L 7.68 4.32 0.00 1.80 1.70 0.95 0.86 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 0.00 143 A 7.15 4.64 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.43 4.30 0.00 2.02 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 0.00 2.40 2.39 0.00 145 S 7.96 4.68 0.00 3.87 3.69 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 0.00 146 V 8.46 5.01 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 0.89 0.00 0.00 0.92 0.00 0.00 147 V 8.85 4.57 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 0.69 0.00 0.00 0.92 0.00 0.00 148 K 8.53 4.84 0.00 1.73 1.69 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.69 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.25 1.39 7.81 149 L 8.84 4.46 0.00 1.51 1.58 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.36 4.77 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 1.25 0.00 0.00 151 A 8.72 4.82 1.31 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 0.00 0.00 0.00 152 V 8.11 4.54 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 153 C 9.45 4.41 0.00 3.06 2.96 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 0.00 154 M 8.98 4.32 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.39 0.00 155 E 7.65 4.28 0.00 1.80 1.84 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 2.15 2.18 0.00 156 C 7.07 4.43 0.00 3.01 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 0.00 157 F 7.39 4.46 0.00 3.29 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 0.00 158 R 7.14 4.54 0.00 1.62 1.91 0.00 3.16 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 159 E 8.77 4.58 0.00 1.85 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 2.32 2.33 0.00 160 A 9.11 4.94 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 0.00 161 A 8.34 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 Y 7.72 4.96 0.00 3.03 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 0.00 163 S 8.81 5.25 0.00 3.88 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 0.00 164 K 9.47 4.97 0.00 1.95 1.93 0.00 1.47 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.14 7.81 165 R 8.79 4.13 0.00 1.72 1.76 0.00 2.43 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.12 0.00 166 L 8.43 4.01 0.00 1.42 1.58 0.83 0.53 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 0.00 167 G 7.73 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 8.07 4.43 4.20 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 1.17 0.00 0.00 169 E 7.84 4.00 0.00 2.23 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 2.11 2.13 0.00 170 K 8.36 4.45 0.00 1.78 1.95 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.59 7.81 171 E 7.90 4.24 0.00 2.12 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 2.26 0.00 172 V 8.51 3.78 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 0.44 0.00 0.00 0.92 0.00 0.00 173 E 8.12 4.46 0.00 2.29 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 2.45 0.00 174 V 8.26 4.34 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 0.88 0.00 0.00 0.96 0.00 0.00 175 I 8.57 4.03 1.88 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.02 1.00 0.00 0.00 176 G 8.03 4.30 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 0.00 177 G 7.68 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 0.00 0.00 0.00 0.00 178 A 9.17 4.97 1.12 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 0.00 179 D 8.21 4.56 0.00 2.82 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 0.00 180 K 8.23 4.43 0.00 1.81 1.47 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.40 7.81 181 Y 8.07 5.44 0.00 3.16 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 0.00 182 H 9.31 5.57 0.00 3.12 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 9.03 5.06 0.00 4.06 4.60 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 0.00 184 V 9.02 4.95 2.23 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 1.01 0.00 0.00 1.30 0.00 0.00 185 C 8.59 4.91 0.00 3.18 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 R 8.95 4.06 0.00 2.13 2.19 0.00 3.36 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 187 L 8.04 4.31 0.00 1.81 1.78 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 188 C 8.17 4.21 0.00 3.02 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 Y 8.30 3.91 0.00 3.14 2.81 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 0.00 190 F 7.71 4.79 0.00 3.09 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 0.00 191 K 7.20 4.00 0.00 1.92 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.46 7.81 192 K 8.62 4.19 0.00 1.75 1.71 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.60 7.81 * Residues marked with a * may have inaccurate shift predictions.