NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3689 8.3344 115.4037 57.6681 64.6536 173.4002 4 I 3.4961 7.7513 121.1665 60.2435 38.2287 174.1178 5 S 4.4986 8.4966 122.1378 57.2835 65.3257 173.4152 6 E 3.9956 8.6571 121.7895 59.3279 29.7358 179.3527 7 K 4.1171 7.4899 114.5909 57.3086 31.9893 178.2112 *9 V 3.9804 7.9232 118.3754 62.4487 33.2639 177.0959 10 E 4.0000 8.4754 119.9308 59.2226 29.4242 178.6247 11 A 4.0203 8.1861 120.8472 55.1184 18.3806 179.5918 12 L 3.9795 7.9153 117.0205 58.1129 41.6522 179.2298 13 N 4.3814 8.6507 116.7969 56.5790 38.3727 177.6356 14 R 4.0777 8.2302 119.4098 58.9986 30.1306 178.7765 15 Q 3.9931 8.1834 119.5688 58.9229 28.9439 178.0630 16 I 3.7906 8.1020 121.2836 64.3542 37.1809 177.7920 17 N 4.3742 8.3972 117.5166 56.8305 38.8099 176.6229 18 A 4.2398 8.3868 122.4019 55.4782 18.4250 179.5115 19 E 4.0737 8.8472 117.4620 59.5431 29.5022 179.5880 20 I 3.7774 8.3246 120.4833 64.4736 36.6594 177.8414 21 Y 3.9832 8.6814 120.8942 60.5688 38.5673 178.1486 22 S 3.7712 8.4124 116.1229 61.3683 62.9540 176.2887 23 A 4.2050 8.0045 123.3182 55.7514 18.0821 179.1494 24 Y 4.3357 8.3093 117.9174 60.6848 38.5665 177.8488 25 L 3.6981 7.6052 121.0718 58.3223 42.1844 178.3751 26 Y 4.5333 7.4214 115.4980 60.6447 38.1448 177.5567 27 L 3.9535 8.1905 121.8331 57.6821 41.6255 179.6031 28 S 4.0281 8.0159 112.2172 58.3358 62.2537 175.6987 *30 A 4.4959 8.0067 124.4114 51.8522 20.4996 179.8137 31 S 4.0935 8.0480 109.8192 61.5020 62.2203 175.7145 32 Y 4.1495 8.3333 122.3158 61.0154 38.5915 178.3037 33 F 3.8562 8.0516 117.9708 60.1637 39.0146 177.1302 34 D 4.3366 8.4555 118.4696 57.3232 40.8638 178.4089 35 S 4.2175 8.0246 113.9069 60.4824 62.8176 175.4393 36 I 4.3058 6.9282 114.6783 60.3185 37.8787 176.4097 37 G 3.8413 7.8706 106.8799 46.8207 0.0000 175.4724 38 L 4.5833 7.8337 121.7975 53.4218 41.0237 176.7499 39 K 4.3301 8.3451 123.7928 58.0306 32.5180 178.8343 40 G 4.1570 8.2281 107.8117 47.4767 0.0000 175.7121 41 F 3.7889 8.4455 119.1310 59.9321 38.8998 177.2723 42 S 4.4196 8.1196 111.8419 61.3016 62.5204 175.2356 43 N 4.5348 8.4327 119.9221 56.4722 38.6305 177.4073 44 W 4.1029 8.0877 126.3272 58.4130 30.6787 177.4628 *46 R 4.4419 7.9691 118.5007 55.8528 31.8102 178.1077 47 V 3.5822 7.9857 117.1105 65.8979 31.4238 177.8809 48 Q 3.6941 7.9919 119.3410 58.8209 28.8663 177.8471 49 W 4.4833 8.4395 128.9107 60.8109 30.4523 177.7464 50 Q 3.5774 8.0451 116.6828 58.8517 28.2306 178.3229 51 E 4.0379 8.1693 118.6390 59.4823 29.7749 178.9071 52 E 4.0602 8.6310 118.9043 59.1636 29.2685 180.2780 53 L 4.0934 7.3261 116.6158 55.2656 41.8059 178.1095 *55 H 4.9411 8.1697 117.1934 56.2052 30.4991 175.4960 56 A 4.1875 8.0209 117.1488 53.1883 17.5619 177.6257 *58 K 4.1364 8.0009 118.0112 57.6648 33.9397 177.0698 *60 F 4.6350 8.0070 120.4951 58.0801 41.0386 176.7855 61 D 4.5000 8.3531 119.8298 57.1933 40.6155 178.3197 62 F 3.8517 8.2318 121.1593 61.1809 39.2223 177.0689 63 V 3.2651 7.7395 117.2750 66.2464 31.1682 177.8085 64 S 4.2160 7.5700 113.3809 60.7093 61.9521 175.6667 65 E 3.8491 8.1590 121.6266 58.6969 29.4070 178.0349 66 R 4.0644 7.2855 115.8022 55.8477 30.2407 177.2097 67 G 3.7614 7.8646 107.4750 45.4333 0.0000 174.1539 68 G 3.7238 7.9127 109.3400 44.3541 0.0000 173.1301 69 R 4.3038 7.9945 119.8748 53.9088 31.0478 175.8658 70 V 3.9021 7.9465 125.4411 61.8125 31.8864 174.6720 71 K 4.3106 8.5046 128.4130 54.4183 33.6106 174.9350 72 L 4.3564 8.0891 126.1179 53.6175 42.9051 175.5876 73 Y 4.6352 8.0314 119.7245 55.3636 40.7200 175.2001 74 A 4.0420 8.5966 123.6350 52.8496 18.8008 177.2489 75 V 4.3533 8.0954 120.8137 60.8300 32.6073 175.7685 76 E 4.2309 8.8013 127.0759 55.9460 30.0303 176.4876 77 E 4.2089 8.7741 123.3475 55.8320 30.1770 175.0183 78 P 5.0080 0.0000 0.0000 60.1328 32.8307 173.9492 79 P 4.2571 0.0000 0.0000 63.1601 31.4081 176.1915 80 S 4.6379 7.8749 111.3797 56.9715 64.7410 173.7176 81 E 4.4686 6.7813 118.8321 54.1596 32.2155 174.5669 82 W 4.7100 7.2875 119.0796 54.7100 33.1080 176.3403 83 D 4.5614 8.8196 120.0075 56.8545 40.7462 177.2171 84 S 4.7379 7.4910 112.6514 56.0192 67.1385 175.4106 85 P 4.5899 0.0000 0.0000 66.0392 30.9576 178.6405 86 L 4.0593 8.0606 118.1631 58.1536 42.0996 178.7215 87 A 4.2187 8.4027 120.6110 55.1537 18.3182 179.3246 88 A 3.3348 8.3846 119.6199 55.3928 18.3015 179.9686 89 F 3.7330 8.6060 116.0340 60.2784 38.9726 177.8338 90 E 4.1102 8.7165 118.9493 59.6525 29.1781 178.8693 91 H 4.3353 8.4698 118.3780 59.1239 29.9193 177.2744 92 V 3.7609 7.9082 120.2252 66.3461 31.2599 177.2195 93 Y 4.2097 8.4025 119.1456 60.9666 38.6843 178.0619 94 E 3.9089 8.5351 119.3611 59.6321 29.5236 178.6201 95 H 4.1904 9.0822 118.6512 59.6766 29.8129 177.1292 96 E 4.0427 8.5961 120.3242 59.1251 29.3037 179.3277 97 V 3.7041 7.6442 119.8844 65.5559 31.5159 177.9294 98 N 4.3451 8.1859 116.1683 56.1169 38.2570 177.4514 99 V 3.5803 7.9768 119.9323 66.3720 31.4770 178.1287 100 T 3.7769 8.1772 115.6332 66.4529 68.3200 176.1978 101 K 3.8840 7.9336 121.3944 59.7925 32.2199 178.7219 102 R 3.9267 7.9726 118.7193 59.3824 29.9354 178.5411 103 I 3.6812 7.9540 119.9757 64.7399 37.1342 178.1316 104 H 4.2761 8.4629 117.3658 58.8114 28.2464 177.6742 105 E 4.0256 8.1340 119.6607 59.4734 29.3860 179.0579 106 L 4.1583 7.7869 117.8165 57.6867 41.7355 179.3829 107 V 3.8907 7.7457 117.1850 66.0038 31.5460 179.2735 108 E 4.2339 8.0054 114.7929 56.5262 29.4803 177.2722 *110 A 4.2076 7.8506 119.8569 52.3175 20.1588 179.4351 *112 Q 4.3965 8.1361 119.7558 57.4695 30.5257 176.3523 113 E 4.1965 8.1914 113.9374 55.8302 29.9524 176.1141 114 K 3.3827 7.6799 116.8715 57.3761 29.7368 176.5049 115 D 4.5050 8.0458 119.4468 53.0742 39.2677 175.2072 116 F 4.6476 7.8534 123.2339 59.9123 39.3295 176.5683 117 A 4.2312 8.2280 120.2022 55.6640 18.3234 179.6999 118 T 4.0799 8.4922 114.2807 66.7289 68.3012 176.2483 119 Y 4.0902 8.2273 120.8123 61.1191 38.6303 177.9635 120 N 4.5641 8.8877 117.6133 56.2014 38.3342 177.3161 121 F 4.1873 8.3304 122.3029 61.1004 39.4319 176.9812 122 L 4.0768 8.1003 117.8669 56.8514 41.4649 179.1514 123 Q 3.8794 7.5559 117.7356 58.2740 28.4874 178.3066 124 W 3.8130 7.7230 129.4279 60.7054 30.6904 177.6944 125 Y 3.7343 7.8792 116.1033 60.6262 36.8622 178.2248 126 V 3.4714 7.9052 119.2019 65.9731 31.1278 178.0338 127 A 3.8712 7.7481 120.4602 54.9836 18.1034 179.2541 128 E 3.4504 7.5443 117.8420 59.2180 29.4444 179.0997 129 Q 4.0058 7.9678 118.2278 58.5159 28.6728 178.6761 130 V 3.5572 7.3100 118.4216 66.1609 31.4821 178.0280 131 E 4.0014 7.7802 117.4994 59.1433 29.2464 179.0940 132 E 4.0235 8.5135 119.1201 59.5034 29.6548 179.1782 133 E 4.0188 8.4044 118.2674 59.5747 29.5724 179.3931 134 A 4.2109 8.0955 120.6717 55.3946 18.2513 179.9130 135 S 4.1567 8.6625 113.8965 61.5319 62.8814 176.8543 136 A 4.2404 8.3040 123.6132 55.2094 18.1768 179.3390 137 L 3.6813 8.5978 119.3970 58.3159 42.0903 178.6036 138 D 4.2578 8.3207 117.9869 57.5324 41.0449 178.4418 139 I 3.4816 7.3961 120.1955 63.8707 36.8549 178.4598 140 V 3.5583 7.7923 119.2764 66.1513 31.3295 178.0340 141 E 3.9135 8.3207 118.4342 59.1455 29.2609 179.5073 142 K 3.9126 8.0437 118.5628 59.5010 31.8771 179.4301 143 L 4.0252 8.1679 119.5985 57.8033 41.2707 179.7827 144 R 3.9331 8.0479 117.5240 59.1678 30.0655 178.5520 145 L 4.0831 7.7093 119.1617 58.2168 42.4199 178.8004 146 I 3.8158 8.1965 119.9380 61.2617 37.0867 179.0191 147 G 3.8083 7.8727 105.9419 46.8531 0.0000 173.8063 148 E 4.3424 8.8296 123.0321 55.6872 29.7733 175.3164 149 D 4.3500 8.0752 119.8789 54.5851 41.8088 176.7767 150 K 4.0551 8.5882 128.0930 59.1944 32.2479 179.2849 151 R 3.9023 8.0844 118.4293 59.4392 30.1319 178.2125 152 A 4.0481 8.2875 120.5465 55.0244 18.2635 179.1654 153 L 4.0066 7.9651 118.8210 58.6199 42.1612 179.3992 154 L 4.0643 8.1930 118.7433 57.5147 41.4861 179.2082 155 F 3.9198 8.8129 121.2893 61.2452 39.2790 177.0192 156 L 3.9348 8.2502 119.9816 58.0402 41.8177 178.2664 157 D 4.0247 8.5065 118.4437 57.1545 41.0084 178.2806 158 K 3.8236 7.9572 120.1230 59.3064 32.3071 178.4650 159 E 3.8114 7.7128 118.9023 59.6526 29.4599 179.5831 160 L 4.0686 7.9164 118.5371 57.4055 41.2846 179.4167 161 S 4.1296 7.3305 114.9722 61.8280 62.8571 176.4345 162 L 4.0952 7.4806 119.4034 55.7695 41.8027 177.7189 163 R 3.7895 7.2364 122.0827 56.8607 30.6784 176.8769 *164 Q 4.1146 8.4483 121.4351 55.3144 28.8051 173.7668 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 3 S 8.33 4.37 0.00 3.96 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 4 I 7.75 3.50 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.08 0.85 0.00 0.00 5 S 8.50 4.50 0.00 4.00 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 6 E 8.66 4.00 0.00 1.97 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 2.36 2.23 0.00 7 K 7.49 4.12 0.00 1.80 1.75 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *9 V 7.92 3.98 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 0.92 0.00 0.00 0.89 0.00 0.00 10 E 8.48 4.00 0.00 2.18 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 2.40 2.51 0.00 11 A 8.19 4.02 1.39 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 12 L 7.92 3.98 0.00 1.89 1.79 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.65 4.38 0.00 2.99 3.19 0.00 0.00 7.07 7.22 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 14 R 8.23 4.08 0.00 2.00 1.94 0.00 3.01 0.00 0.00 2.67 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 15 Q 8.18 3.99 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 16 I 8.10 3.79 2.18 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.80 1.07 0.00 0.00 17 N 8.40 4.37 0.00 3.10 3.04 0.00 0.00 7.13 8.05 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 18 A 8.39 4.24 1.50 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 0.00 0.00 19 E 8.85 4.07 0.00 2.19 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 0.00 2.70 2.63 0.00 20 I 8.32 3.78 2.05 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 1.39 0.77 0.89 0.00 0.00 21 Y 8.68 3.98 0.00 3.15 3.19 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 22 S 8.41 3.77 0.00 4.11 3.84 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 0.00 0.00 0.00 23 A 8.00 4.21 1.50 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 0.00 0.00 24 Y 8.31 4.34 0.00 3.08 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 25 L 7.61 3.70 0.00 0.93 1.17 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.42 4.53 0.00 3.20 3.08 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 27 L 8.19 3.95 0.00 1.14 1.44 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.02 4.03 0.00 3.81 4.02 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 *30 A 8.01 4.50 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 31 S 8.05 4.09 0.00 3.91 4.09 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 32 Y 8.33 4.15 0.00 3.45 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 33 F 8.05 3.86 0.00 3.27 3.22 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 0.00 0.00 0.00 34 D 8.46 4.34 0.00 2.92 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 35 S 8.02 4.22 0.00 4.03 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 36 I 6.93 4.31 1.72 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.55 0.68 0.00 0.00 37 G 7.87 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.83 4.58 0.00 1.73 1.81 0.58 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.35 4.33 0.00 1.79 1.88 0.00 1.73 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.46 7.81 40 G 8.23 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.45 3.79 0.00 2.71 1.59 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 42 S 8.12 4.42 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 43 N 8.43 4.53 0.00 2.90 3.06 0.00 0.00 6.86 7.49 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 44 W 8.09 4.10 0.00 3.42 3.18 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 *46 R 7.97 4.44 0.00 2.14 2.15 0.00 3.23 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.62 0.00 47 V 7.99 3.58 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 0.84 0.00 0.00 0.91 0.00 0.00 48 Q 7.99 3.69 0.00 1.71 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 1.56 2.34 0.00 49 W 8.44 4.48 0.00 3.73 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 50 Q 8.05 3.58 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 51 E 8.17 4.04 0.00 1.90 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 2.30 2.40 0.00 52 E 8.63 4.06 0.00 1.99 2.25 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 2.78 2.81 0.00 53 L 7.33 4.09 0.00 1.52 1.41 0.61 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.17 4.94 0.00 3.51 3.77 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.02 4.19 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 4.14 0.00 1.71 2.03 0.00 0.85 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.62 1.42 7.81 *60 F 8.01 4.63 0.00 3.28 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 61 D 8.35 4.50 0.00 3.01 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 62 F 8.23 3.85 0.00 2.43 2.53 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 0.00 0.00 0.00 0.00 63 V 7.74 3.27 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 0.89 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.04 0.00 0.00 141 E 8.32 3.91 0.00 2.11 1.93 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 2.25 2.57 0.00 142 K 8.04 3.91 0.00 1.82 1.78 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.50 7.81 143 L 8.17 4.03 0.00 1.78 1.74 0.95 0.93 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 R 8.05 3.93 0.00 1.90 1.98 0.00 3.13 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 1.67 1.76 0.00 145 L 7.71 4.08 0.00 1.82 1.79 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.20 3.82 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 0.96 0.00 0.00 147 G 7.87 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 0.00 148 E 8.83 4.34 0.00 1.97 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 2.25 2.22 0.00 149 D 8.08 4.35 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 4.06 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.64 7.81 151 R 8.08 3.90 0.00 1.89 2.07 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 152 A 8.29 4.05 1.39 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 0.00 153 L 7.97 4.01 0.00 1.83 1.92 0.95 0.71 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 0.00 154 L 8.19 4.06 0.00 1.94 1.74 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.81 3.92 0.00 3.25 3.26 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 0.00 156 L 8.25 3.93 0.00 1.87 1.87 0.70 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.51 4.02 0.00 3.17 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 0.00 158 K 7.96 3.82 0.00 1.75 1.63 0.00 1.53 0.00 0.00 1.33 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.36 7.81 159 E 7.71 3.81 0.00 2.05 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 2.14 2.11 0.00 160 L 7.92 4.07 0.00 1.50 1.69 0.59 -0.39 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 0.00 161 S 7.33 4.13 0.00 3.82 3.90 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 0.00 162 L 7.48 4.10 0.00 1.77 1.69 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 163 R 7.24 3.79 0.00 1.81 1.86 0.00 2.63 0.00 0.00 2.60 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 *164 Q 8.45 4.11 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.