NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 F 4.9778 8.1676 115.8132 56.9718 38.9983 176.2625 10 S 4.4244 9.8868 120.2896 57.6811 63.4420 173.4859 11 D 4.2942 8.4938 123.2044 57.8451 41.4490 178.6581 12 Q 4.0917 7.4761 118.4791 58.9373 28.5639 178.7783 13 T 3.5152 7.4827 110.3712 64.8464 68.4251 175.7930 14 E 3.7535 7.4241 119.9429 58.8646 29.9106 178.1758 15 E 4.1126 7.8305 118.7418 58.7703 29.6018 178.1499 16 I 3.5002 6.9438 118.4212 61.6670 36.6825 177.7612 *18 Q 4.3981 8.1747 121.6333 55.9575 30.8646 177.7768 19 A 4.0582 7.9702 120.1284 55.3422 18.4681 179.8167 20 T 3.6530 8.1642 108.4693 64.4810 68.7756 176.1903 21 Y 4.1018 7.7828 122.4859 60.7271 38.9325 178.0209 22 R 3.9988 7.8618 118.7268 59.3539 30.3211 178.9294 23 A 4.2443 8.2185 120.2377 54.3382 18.2672 179.5838 24 L 3.8677 7.8713 119.7241 58.3911 42.0886 179.3649 25 R 3.8644 7.5040 114.0179 59.5375 29.2937 177.0297 26 E 4.0685 8.0346 120.2786 57.9873 29.6473 176.9404 27 H 4.5607 8.4836 119.5852 55.1356 29.7576 176.7094 28 G 4.0684 7.8051 106.4589 45.1491 0.0000 173.5412 29 Y 4.1454 8.7700 118.9066 60.6622 39.1520 176.4882 30 A 3.7792 7.8477 120.1998 55.2896 18.8927 178.4531 31 D 4.6439 7.6697 115.2641 52.7331 39.5893 176.0578 32 L 4.6599 7.1406 119.8664 52.6412 45.6989 175.5996 33 T 4.7183 7.9756 114.5569 59.0000 73.3793 174.9129 34 I 3.6326 8.2071 121.6693 64.5682 36.9567 178.1523 35 Q 3.9403 8.1321 119.7845 59.5838 28.6440 178.8464 36 R 3.8924 7.5293 118.0506 59.1222 30.0443 179.2579 37 I 3.6818 7.6745 119.1457 64.4845 37.2097 178.1219 38 A 4.1549 8.6434 121.9795 55.5998 17.7805 179.6139 39 D 4.2557 7.5538 116.4925 57.7481 41.1703 178.6084 40 E 4.1228 7.7684 117.5262 59.3149 29.4279 178.3487 41 Y 4.5611 7.9449 119.0332 58.2725 39.1282 176.4387 42 G 3.8421 8.3756 107.1239 44.7806 0.0000 172.8848 43 K 4.3637 6.9122 117.9054 53.9330 34.7220 175.8591 44 S 4.3777 8.1011 114.2041 58.1402 63.9812 174.9399 45 T 3.8074 8.7638 115.5124 65.7348 66.7277 175.8804 46 A 4.1238 8.1178 121.6468 55.2220 18.2113 179.2995 47 A 4.0591 8.0574 118.4200 55.0172 18.6725 179.7228 48 V 4.1431 7.9438 110.4589 64.3508 31.4202 178.1781 49 H 5.2116 8.3259 117.4058 58.3868 28.2335 176.8542 50 Y 4.1000 8.2436 121.1752 60.2840 38.4756 176.9810 51 Y 4.2744 7.2790 115.9934 57.1739 39.7277 175.6024 52 Y 4.7679 7.8546 117.4898 56.2351 41.0014 175.1486 53 D 4.3985 8.6422 126.3089 57.3521 41.6247 177.6937 54 T 4.3846 7.5753 115.0937 62.6354 71.0447 176.0063 55 K 4.0312 8.5560 122.2744 60.3322 32.5189 179.1229 56 D 4.4872 8.0984 119.7193 57.3064 40.7191 178.0112 57 D 4.4848 8.2247 118.9898 57.3741 40.7988 178.6534 58 L 3.1159 7.6310 120.6616 57.9774 42.1202 179.0409 59 L 4.1012 8.4932 119.2167 57.5532 41.5612 179.3056 60 A 3.9048 8.4157 120.6279 55.1105 18.1766 179.3249 61 A 4.1136 7.4156 118.9001 54.8168 18.6585 178.9989 62 F 4.3541 8.6979 119.2421 62.7550 39.2890 176.9731 63 L 3.2476 8.6106 115.9806 58.6228 41.4445 178.2515 64 D 4.6358 8.2439 114.6893 54.5728 39.6127 177.4336 65 Y 4.3433 7.9184 123.6460 60.2730 39.0362 177.5897 66 L 3.7745 7.8748 120.1484 57.6684 41.6260 179.1422 67 L 4.3839 7.4884 113.1674 55.5239 41.5943 177.3437 68 E 4.4607 7.5426 120.6419 57.6654 31.1869 177.9989 69 R 3.8355 7.4669 116.6165 58.7709 30.2237 178.6832 70 F 4.1353 8.3267 120.7474 61.4518 39.4968 177.6669 71 V 3.3350 7.9510 111.5630 64.2662 31.1626 177.5523 72 D 4.3888 7.6960 117.0564 57.5932 40.9053 178.6229 73 S 4.1732 7.8139 114.4185 61.3455 63.3057 176.6025 74 I 3.6252 6.9109 123.0223 63.7792 36.7092 176.9804 75 H 4.9588 8.1795 116.7421 56.5609 28.4176 176.0552 76 D 4.6457 8.2099 120.8409 55.2127 43.1449 176.4280 77 V 3.6435 7.0648 118.4813 63.4157 30.2526 175.0891 78 E 4.3842 8.4011 124.3404 56.4320 30.5463 176.7789 79 T 4.0696 7.6933 114.9524 62.3782 67.9350 173.7831 80 T 4.3139 8.1926 116.1446 61.5510 70.2169 174.4241 81 D 4.2878 7.7751 123.0349 54.0782 41.9265 174.3917 82 P 4.3034 0.0000 0.0000 65.8931 31.4349 178.4931 83 E 4.2179 7.9393 116.0508 59.3989 29.3682 179.3508 84 A 4.0041 8.0657 120.3320 55.0261 18.5708 179.4898 85 R 3.8001 8.5059 117.5861 59.6264 30.2862 178.2937 86 L 4.0386 8.0600 120.0857 58.5322 41.9281 178.8048 87 N 4.4275 8.1518 115.8090 56.2292 38.5852 177.4891 88 L 4.1050 8.2230 120.5799 57.5289 41.6657 179.5639 89 L 4.0490 8.4623 119.6387 57.7768 41.6350 179.4583 90 L 4.0691 8.0909 118.9611 57.7306 41.4250 179.2129 91 D 4.3820 8.5340 119.4106 57.5410 40.5881 178.5779 92 E 3.8739 7.8236 117.9001 59.0005 29.6968 178.3762 93 L 4.3581 7.9867 118.3209 56.6318 41.8250 177.7524 94 L 4.6720 7.6980 115.2892 54.3015 44.6193 178.2838 95 V 4.1330 8.5606 117.9825 64.9780 31.7180 177.9160 96 K 4.2111 7.9078 118.8912 59.1081 32.3463 176.8348 97 P 4.5916 0.0000 0.0000 64.4012 30.9240 178.4442 98 Q 4.0399 7.4625 115.7255 58.9205 28.8472 178.2850 99 E 4.2338 7.8074 115.4881 57.4993 30.4681 176.4076 100 N 5.1701 7.9197 117.9620 52.1514 39.3327 174.4220 101 P 4.3174 0.0000 0.0000 65.3537 32.3815 178.3829 102 D 4.4049 8.4075 118.8037 56.5716 39.1570 179.1044 103 L 3.7565 7.8601 119.4134 56.4543 41.6402 179.0182 104 S 4.1558 8.1805 116.0225 61.7206 62.7092 177.0011 105 V 3.5163 7.3717 120.0795 66.0819 31.1472 178.0884 106 A 4.2836 7.8407 119.9417 54.2997 18.3864 178.4731 107 L 4.0127 8.0981 118.7205 58.6202 42.3144 178.8908 108 L 4.0681 7.7981 119.8209 57.8595 41.5580 179.3782 109 E 4.1160 7.8221 116.1105 56.9242 29.3313 179.0926 *111 R 3.5342 7.9919 120.2848 56.0541 31.8798 178.1146 112 S 4.2602 7.9730 111.2975 60.8615 62.8049 175.7314 113 Q 4.4325 8.0057 120.3782 57.3232 28.9214 177.5273 114 A 4.5111 7.9976 122.7181 55.1507 18.2272 177.7482 115 P 4.3217 0.0000 0.0000 64.6096 31.4886 177.2461 116 Y 4.5415 9.0209 115.2868 56.7723 39.1470 175.6337 117 K 4.5168 7.2718 118.6232 53.7554 34.9317 176.7753 118 E 3.9599 8.9116 124.6347 59.0092 29.6044 178.3641 119 A 4.0680 8.1048 120.6323 55.2583 18.4522 179.5262 120 F 4.0924 8.3778 115.6170 60.7450 39.1116 177.5672 121 S 4.3241 8.5280 112.8094 61.7051 62.1455 175.5412 122 D 4.4718 8.7224 121.8559 57.8031 40.6084 179.6888 123 R 3.7866 7.7603 117.3894 59.3486 30.0733 179.1904 124 F 4.1825 7.8719 117.5093 60.4186 38.7783 177.7361 125 R 3.9172 8.4552 118.6199 59.5467 29.7246 178.5538 126 Q 3.9830 8.0574 116.5744 58.9878 29.0147 177.8129 127 N 4.3931 8.4494 118.3841 57.0772 38.8690 175.8527 128 D 4.3891 8.7377 119.3189 57.8152 41.1974 178.3258 129 E 4.0150 8.5081 119.0069 59.7686 29.2503 178.8939 130 Y 4.2553 7.9944 118.4151 60.5435 39.0270 177.3856 131 V 3.7642 7.8521 117.5972 66.1760 32.0222 177.5937 132 R 4.1269 8.2166 117.8762 59.3756 29.8709 178.7009 133 Y 4.0207 7.9598 114.9860 58.6296 38.3909 177.4379 *135 L 4.2199 7.7896 119.6072 54.3419 43.7395 179.1300 136 K 3.9938 8.5861 120.4318 58.6544 31.8285 178.6510 137 A 3.7803 7.8160 121.3143 54.8834 18.2590 179.7231 138 V 3.5643 7.6518 116.1740 66.2074 31.6488 177.9980 139 I 3.8564 7.5419 119.0729 64.6093 36.9118 177.9768 140 N 4.3086 8.4170 117.4708 56.6871 38.3739 176.7442 141 H 4.2420 8.5961 119.8191 59.4558 29.9497 177.4290 142 G 3.2246 8.7194 107.6483 47.5469 0.0000 175.6553 143 I 3.9833 7.9648 123.4783 63.8895 36.9803 178.0610 144 D 4.3614 7.9995 118.3229 57.4927 40.8379 178.4101 145 E 4.0413 8.2389 117.8993 56.8916 29.5282 177.3772 146 G 3.8523 8.0996 106.7015 46.5101 0.0000 174.4065 147 V 4.1708 7.8860 118.4842 61.2140 32.3885 175.8098 148 F 5.4559 7.6486 120.0041 55.6346 42.8125 174.4914 149 T 4.0384 9.4651 120.3551 63.8348 69.1584 173.6922 150 D 4.4085 8.7033 124.9173 54.4661 41.6308 175.7731 151 V 4.4391 7.8888 124.5362 58.9840 34.7672 175.4449 152 D 4.5157 8.4501 119.4336 53.7822 40.5124 176.2806 153 A 4.2545 8.3626 129.4641 54.4706 18.5547 178.6691 154 E 3.8661 8.2120 117.8477 59.6315 29.8995 178.3089 155 H 4.1093 8.1859 118.3855 59.3300 30.0382 177.2177 156 V 3.8034 8.3224 120.4365 66.4066 30.7467 178.0182 157 T 3.8525 8.0223 115.4865 66.7721 68.3085 176.9013 158 R 3.9921 8.1255 117.6779 58.9381 29.4427 178.8437 159 S 3.8568 8.3584 116.6633 61.6365 62.7434 176.6368 160 L 3.9909 7.9254 121.3763 57.7652 41.2483 179.6589 161 L 3.9684 7.7934 118.9330 57.7687 41.3973 179.6526 162 T 3.7686 8.0726 116.0223 66.6516 68.4464 176.5022 163 I 3.6169 7.4983 121.6090 64.5843 37.1525 178.5610 164 I 3.6861 7.8635 120.3934 64.5436 36.9773 178.3223 165 D 4.3995 8.5222 120.2950 57.2029 40.6244 178.9982 166 G 3.5991 8.3866 106.3740 47.7093 0.0000 175.4568 167 A 3.9912 8.0026 123.1660 55.0330 18.1721 179.9877 168 R 3.8585 7.6755 115.2638 59.5828 29.9132 179.2123 169 T 3.9762 7.8820 115.3836 66.8883 68.3078 177.0887 170 R 3.9681 8.3500 118.5034 59.1144 30.2422 178.7269 171 A 4.3767 8.1807 120.7138 54.7413 18.2696 178.5786 172 V 4.0936 7.3290 109.0767 62.1557 31.7134 177.5887 *174 L 4.0549 7.8968 117.6605 53.3341 43.4267 176.5977 175 D 4.2418 7.6831 116.9405 53.7693 39.5795 172.5192 176 D 4.3012 8.5381 115.5574 52.4723 43.5213 176.0106 177 T 4.1426 8.2725 118.9811 63.5916 69.0532 175.6173 178 E 4.1422 8.2711 120.2483 58.4388 29.3113 178.1473 179 E 3.9630 8.1058 120.9331 59.3198 29.6810 178.5564 180 L 4.0670 7.8957 119.2032 57.4071 41.5168 179.1485 181 E 3.9859 8.0323 118.5689 59.6684 29.4177 179.3290 182 T 3.9361 8.0008 109.6298 64.6400 68.8461 176.6209 183 A 3.9639 7.7750 123.1026 54.7310 18.2995 179.6183 184 R 3.8045 7.8444 117.2983 59.5320 30.1817 178.4714 185 Q 3.9278 7.8337 119.3014 59.5538 29.0988 178.1716 186 T 4.1336 8.4507 118.1429 66.1011 68.4880 176.3259 187 A 4.0995 8.2798 122.6208 55.3812 18.4931 179.9330 188 S 4.1577 8.1849 113.7200 61.5277 62.3375 176.7824 189 E 3.9731 8.6200 121.9216 59.4493 29.2247 178.6849 190 Y 4.0284 8.6433 119.5532 60.6291 38.7346 177.6881 191 A 3.7157 8.1478 120.9467 55.1100 18.9814 178.8439 192 D 4.4357 7.8727 115.1571 54.6417 39.5717 177.8818 193 A 4.1166 7.0871 120.7123 53.2540 17.9643 178.0061 *195 L 4.2602 7.9088 120.2317 55.0514 43.6038 177.2220 196 Q 4.3129 7.7447 120.3739 55.9338 28.9295 175.2321 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 9 F 8.17 4.98 0.00 3.32 2.93 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 10 S 9.89 4.42 0.00 4.26 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 11 D 8.49 4.29 0.00 2.27 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.48 4.09 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 13 T 7.48 3.52 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 1.00 0.00 0.00 14 E 7.42 3.75 0.00 2.08 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 0.00 2.52 2.47 0.00 15 E 7.83 4.11 0.00 2.11 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 0.00 2.47 2.41 0.00 16 I 6.94 3.50 1.79 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.36 0.72 0.00 0.00 *18 Q 8.17 4.40 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 19 A 7.97 4.06 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 20 T 8.16 3.65 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 0.97 0.00 0.00 21 Y 7.78 4.10 0.00 3.32 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 R 7.86 4.00 0.00 2.12 2.17 0.00 3.32 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 23 A 8.22 4.24 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 24 L 7.87 3.87 0.00 2.01 1.61 1.34 0.76 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 25 R 7.50 3.86 0.00 1.92 1.95 0.00 3.11 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.60 0.00 26 E 8.03 4.07 0.00 2.02 1.62 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 1.99 2.22 0.00 27 H 8.48 4.56 0.00 3.29 3.37 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.81 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 29 Y 8.77 4.15 0.00 2.99 3.36 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 30 A 7.85 3.78 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 31 D 7.67 4.64 0.00 2.77 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 32 L 7.14 4.66 0.00 1.73 1.43 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.98 4.72 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 1.15 0.00 0.00 34 I 8.21 3.63 1.88 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 1.49 0.64 0.82 0.00 0.00 35 Q 8.13 3.94 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 36 R 7.53 3.89 0.00 2.04 1.84 0.00 2.98 0.00 0.00 2.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 37 I 7.67 3.68 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.81 0.00 0.00 38 A 8.64 4.15 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 0.00 0.00 39 D 7.55 4.26 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.77 4.12 0.00 1.93 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 2.52 2.50 0.00 41 Y 7.94 4.56 0.00 2.91 3.16 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 42 G 8.38 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 43 K 6.91 4.36 0.00 1.11 1.59 0.00 1.14 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.08 0.77 7.81 44 S 8.10 4.38 0.00 4.01 3.99 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 0.00 0.00 0.00 45 T 8.76 3.81 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 1.25 0.00 0.00 46 A 8.12 4.12 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 47 A 8.06 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.94 4.14 2.17 0.00 0.00 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 0.00 0.00 0.97 0.00 0.00 49 H 8.33 5.21 0.00 3.50 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.24 4.10 0.00 2.96 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 51 Y 7.28 4.27 0.00 2.93 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 0.00 0.00 0.00 52 Y 7.85 4.77 0.00 3.06 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 53 D 8.64 4.40 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.58 4.38 4.49 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 1.24 0.00 0.00 55 K 8.56 4.03 0.00 2.00 2.10 0.00 1.49 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.57 7.81 56 D 8.10 4.49 0.00 2.79 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 57 D 8.22 4.48 0.00 3.12 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 58 L 7.63 3.12 0.00 1.60 1.78 0.87 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.49 4.10 0.00 2.10 2.09 1.22 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.42 3.90 1.51 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 0.00 0.00 61 A 7.42 4.11 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 62 F 8.70 4.35 0.00 3.03 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 63 L 8.61 3.25 0.00 1.64 1.24 -0.24 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.24 4.64 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.92 4.34 0.00 3.09 3.12 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 66 L 7.87 3.77 0.00 1.53 1.57 0.59 0.63 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 67 L 7.49 4.38 0.00 1.52 1.62 0.66 0.66 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 68 E 7.54 4.46 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.74 4.39 0.00 2.87 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 0.00 129 E 8.51 4.02 0.00 2.25 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 0.00 2.65 2.52 0.00 130 Y 7.99 4.26 0.00 2.94 3.21 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 0.00 131 V 7.85 3.76 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 0.94 0.00 0.00 0.89 0.00 0.00 132 R 8.22 4.13 0.00 2.01 2.00 0.00 3.19 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 1.66 1.85 0.00 133 Y 7.96 4.02 0.00 3.21 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 *135 L 7.79 4.22 0.00 1.75 1.72 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.59 3.99 0.00 1.75 1.75 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.27 7.81 137 A 7.82 3.78 1.13 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 0.00 0.00 138 V 7.65 3.56 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 1.08 0.00 0.00 0.95 0.00 0.00 139 I 7.54 3.86 1.98 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 1.30 0.41 0.88 0.00 0.00 140 N 8.42 4.31 0.00 2.93 2.87 0.00 0.00 6.72 8.11 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 0.00 141 H 8.60 4.24 0.00 3.26 3.49 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.72 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 0.00 0.00 0.00 143 I 7.96 3.98 2.07 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 1.80 1.20 0.93 0.00 0.00 144 D 8.00 4.36 0.00 2.72 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 0.00 145 E 8.24 4.04 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 146 G 8.10 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 0.00 0.00 0.00 147 V 7.89 4.17 1.83 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 -0.08 0.00 0.00 0.73 0.00 0.00 148 F 7.65 5.46 0.00 2.92 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 0.00 149 T 9.47 4.04 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 0.00 150 D 8.70 4.41 0.00 2.64 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 0.00 151 V 7.89 4.44 2.28 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 0.74 0.00 0.00 0.88 0.00 0.00 152 D 8.45 4.52 0.00 2.82 2.66 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 0.00 0.00 0.00 0.00 153 A 8.36 4.25 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 0.00 154 E 8.21 3.87 0.00 2.11 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 0.00 2.40 2.44 0.00 155 H 8.19 4.11 0.00 3.35 3.50 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.32 3.80 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 0.95 0.00 0.00 0.99 0.00 0.00 157 T 8.02 3.85 4.46 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 1.25 0.00 0.00 158 R 8.13 3.99 0.00 2.01 2.17 0.00 2.80 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 0.00 159 S 8.36 3.86 0.00 4.03 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 0.00 160 L 7.93 3.99 0.00 1.87 1.72 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.79 3.97 0.00 1.82 1.67 0.89 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 0.00 162 T 8.07 3.77 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 1.13 0.00 0.00 163 I 7.50 3.62 1.95 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 1.42 0.63 0.88 0.00 0.00 164 I 7.86 3.69 1.84 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 1.51 0.75 0.88 0.00 0.00 165 D 8.52 4.40 0.00 2.71 2.65 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 0.00 166 G 8.39 3.60 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 0.00 0.00 0.00 167 A 8.00 3.99 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 0.00 168 R 7.68 3.86 0.00 1.92 1.96 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 169 T 7.88 3.98 4.36 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 1.18 0.00 0.00 170 R 8.35 3.97 0.00 1.76 1.98 0.00 3.15 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 171 A 8.18 4.38 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.33 4.09 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 0.80 0.00 0.00 0.92 0.00 0.00 *174 L 7.90 4.05 0.00 1.71 1.74 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 175 D 7.68 4.24 0.00 2.75 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 0.00 176 D 8.54 4.30 0.00 2.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.14 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 0.00 178 E 8.27 4.14 0.00 2.37 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 2.73 2.36 0.00 179 E 8.11 3.96 0.00 2.28 2.02 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 2.39 2.39 0.00 180 L 7.90 4.07 0.00 1.85 1.86 0.93 0.90 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 0.00 181 E 8.03 3.99 0.00 2.16 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 0.00 2.41 2.56 0.00 182 T 8.00 3.94 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 1.28 0.00 0.00 183 A 7.78 3.96 1.41 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 0.00 184 R 7.84 3.80 0.00 1.98 2.12 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 185 Q 7.83 3.93 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 186 T 8.45 4.13 4.38 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 1.21 0.00 0.00 187 A 8.28 4.10 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 0.00 188 S 8.18 4.16 0.00 4.02 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 0.00 189 E 8.62 3.97 0.00 2.19 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 2.34 2.44 0.00 190 Y 8.64 4.03 0.00 3.01 3.10 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 0.00 0.00 0.00 0.00 191 A 8.15 3.72 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 0.00 192 D 7.87 4.44 0.00 2.92 2.88 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 0.00 193 A 7.09 4.12 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 *195 L 7.91 4.26 0.00 1.61 1.43 0.67 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 196 Q 7.74 4.31 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.