NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.8850 8.3393 109.7289 45.9336 0.0000 173.4739 6 T 3.0443 8.1391 109.4125 60.2698 69.1386 171.2416 7 E 4.4508 7.8180 121.6418 57.2996 31.8031 177.8055 8 N 4.6972 7.9064 116.9165 51.9242 39.6989 175.3969 9 L 3.7843 8.4234 122.4543 58.7486 41.8957 178.9202 10 Y 3.9817 7.8587 115.8251 60.8508 37.9082 177.6833 11 F 4.0639 9.0199 121.9413 61.6335 39.4652 177.2774 12 Q 3.8797 8.4640 117.9724 58.7964 28.4863 178.9149 13 S 4.0997 8.0646 115.4401 61.3268 63.1357 176.0341 14 N 4.1916 8.3171 120.2217 56.2572 38.3495 177.2057 15 A 3.8192 7.8731 122.1826 54.9471 18.3501 178.9890 16 Y 4.0370 8.2136 118.4155 61.1296 38.9006 178.7279 17 R 3.7040 8.0101 118.6568 58.8663 30.0003 179.0363 18 A 3.9266 7.8594 120.5860 55.1092 18.4314 179.4812 19 L 3.8588 8.2698 119.3446 58.0387 41.9203 178.7765 20 F 3.8445 8.0872 119.9683 61.2481 39.3513 176.3046 21 E 3.9541 7.8918 117.2873 59.2516 29.5682 177.7153 22 H 4.6745 8.0265 112.6079 54.7398 29.9012 175.4246 23 A 4.1006 7.4183 124.5667 52.3850 18.7973 177.8783 24 I 3.9294 8.2430 122.5029 64.1115 37.7138 176.8845 25 D 4.5553 7.8405 118.5838 53.8468 41.6032 176.9256 26 G 3.8050 8.7427 109.2148 46.4986 0.0000 172.6661 27 I 5.2981 8.9307 123.8827 59.2248 41.3844 174.4709 28 F 5.6835 9.0382 120.8268 55.3648 41.8623 173.6197 29 I 5.4571 9.3721 120.7115 58.6628 41.4568 174.0321 *31 D 4.5051 8.3272 121.5663 52.9798 40.1168 176.1871 32 A 3.9573 8.3672 120.9093 54.5745 18.3154 178.0757 33 E 4.1759 8.2402 113.4655 56.2862 30.0335 177.0440 34 G 3.7496 8.1481 108.2789 45.4540 0.0000 172.8053 35 H 5.0939 7.9267 116.8048 54.4171 29.2167 174.8941 36 Y 4.4938 8.4537 123.5418 58.5728 37.5806 175.8004 37 L 4.7360 9.3012 124.2833 56.0636 44.0082 176.1494 38 D 4.9524 8.1068 115.6887 53.5815 44.8845 174.4999 39 V 5.1230 8.3622 114.8341 60.0348 35.9648 174.3306 40 N 4.0969 8.4297 122.4325 51.0587 38.9269 174.3757 41 P 4.1606 0.0000 0.0000 65.5881 31.1823 178.7050 42 A 3.9135 7.7471 119.0763 55.2049 18.4101 179.6336 43 I 3.5551 7.6767 117.6331 64.6326 37.2595 178.1723 44 C 4.1892 7.7049 117.0345 63.0053 27.9601 176.5254 45 S 4.0693 8.3744 116.5920 61.4730 62.2342 176.2100 46 A 3.9813 7.7431 122.5230 54.9862 18.1791 178.9315 47 I 4.2213 7.3911 106.9419 59.6000 38.1910 175.6075 48 G 4.0613 7.7910 108.0737 47.1598 0.0000 173.3817 49 Y 4.8039 7.9365 115.9590 56.3277 40.1106 176.6842 50 T 4.4066 8.6188 113.2439 60.9292 71.4747 175.8627 51 R 3.9754 8.5860 121.6123 60.1337 29.8049 178.4723 52 D 4.4870 8.0891 116.7988 57.3024 41.2559 178.1853 53 E 4.1164 8.2119 118.8567 59.3080 29.4461 179.0184 54 F 4.0709 8.5786 120.7772 61.1622 39.2851 176.4093 55 L 4.6071 8.1195 115.2715 55.6549 41.6018 177.8252 56 A 4.4642 7.6898 119.9543 51.6393 19.6220 177.4003 57 L 4.5046 7.5354 118.3138 53.7780 42.7177 175.6215 58 D 5.3167 8.3372 120.0352 51.6949 43.8162 175.6252 59 W 4.6647 8.7350 131.9756 59.5655 31.0878 175.7351 60 G 4.0792 8.9518 113.4704 45.9555 0.0000 175.9070 61 V 3.5634 8.0212 119.3366 65.9986 31.8995 178.1717 62 L 4.0085 8.0466 119.6227 57.4851 41.5675 178.4859 63 S 5.5048 7.8697 109.4749 56.6339 63.5019 174.0751 64 R 3.6591 7.6171 117.6460 58.2855 27.6801 176.7629 65 G 4.1555 8.3564 103.2251 45.4819 0.0000 175.4163 66 V 3.6873 7.5557 120.4282 65.6869 32.0646 177.8718 67 D 4.4362 8.1096 119.0961 57.3870 40.8311 178.3787 68 S 4.1681 7.9646 112.0795 59.5830 63.5005 175.2239 69 G 4.0059 8.4502 109.8004 45.2338 0.0000 175.0228 70 W 4.0746 8.3468 129.6307 60.3324 30.6578 177.5819 71 A 3.6950 8.6825 120.8570 55.2030 17.8831 179.5672 72 A 3.9749 7.9859 118.5510 55.1506 18.5901 179.5794 73 A 3.9009 8.1190 119.6513 55.1957 18.4750 180.0566 74 S 3.8397 7.8775 113.1179 61.2937 62.8957 176.3675 75 L 3.6241 7.9857 123.8787 57.7274 41.8252 178.6553 76 A 3.9172 8.0055 120.5970 55.4285 18.2675 179.8888 77 R 3.8551 7.8020 116.3451 59.2408 30.0636 179.4073 78 I 4.0341 7.6208 120.9283 64.0259 36.9422 178.6691 79 V 3.6260 7.7184 117.8594 65.7546 31.3777 177.5081 80 G 3.8346 7.8512 102.9862 45.2842 0.0000 174.1446 81 G 3.8665 8.0937 109.4681 44.8493 0.0000 172.8475 82 E 4.5220 8.1256 121.4681 53.3070 31.0517 173.6362 83 P 4.5148 0.0000 0.0000 62.6647 32.4118 175.9016 84 L 4.4169 8.5187 125.7213 54.5951 43.7621 175.9539 85 R 5.2093 8.4927 126.5274 55.9145 31.8500 173.1751 86 E 4.8624 9.1779 123.3723 55.4346 33.4324 174.1445 87 E 4.9387 8.7158 119.9874 55.8801 31.0893 176.2690 88 R 4.4845 8.8687 121.3301 54.6931 34.9014 174.5327 89 T 4.2345 8.1771 119.6100 62.9869 70.1539 173.6168 90 V 4.6587 8.5439 125.8540 60.7458 34.4584 174.2696 91 W 5.2252 9.0975 127.6409 55.1516 31.3202 175.8152 92 T 4.4588 8.7686 116.1282 60.3336 69.5817 176.0885 93 R 4.1005 9.0189 118.8499 58.3642 29.5520 177.1344 94 N 4.6391 8.2631 114.6507 52.6815 37.6491 175.6705 95 G 4.0492 8.1750 107.5531 45.2718 0.0000 173.8383 96 D 4.7176 7.9051 119.7333 54.1404 42.4270 175.1522 97 Q 4.8485 8.3317 121.1000 54.3238 31.9842 174.0431 98 L 4.7191 8.5451 125.0764 54.4890 44.6242 174.8072 99 T 4.8291 8.2946 116.3534 61.9478 70.6256 174.1231 100 V 4.6890 8.5857 118.7467 59.4527 36.3118 174.0336 101 E 4.7589 9.2071 124.6526 55.0854 31.2020 174.6763 102 L 5.3759 9.2739 127.3857 53.4269 44.4264 175.6615 103 S 5.4629 9.2274 118.3666 56.8182 66.7824 173.0543 104 A 5.1067 8.8865 124.3872 50.7196 22.7746 174.6901 105 H 5.0988 9.1220 118.7723 53.4646 32.8731 172.8335 106 L 4.3326 8.6253 125.5725 55.2754 42.6796 176.3291 107 L 4.5214 9.0921 126.4135 52.7603 43.4440 176.0081 108 P 4.2004 0.0000 0.0000 65.5513 31.3471 177.1069 109 D 4.6341 8.0309 115.5693 53.0128 39.4004 177.2789 110 G 3.9151 8.1236 109.9732 45.6528 0.0000 174.4360 111 K 4.3384 7.6941 119.1012 56.1869 33.9139 175.8580 112 I 4.7955 8.0129 121.0013 59.5150 40.5800 174.4550 113 L 4.5839 8.8053 129.6715 53.8179 43.4430 175.4093 114 G 3.4013 8.6385 113.5449 43.9934 0.0000 171.8591 115 I 5.1575 8.6861 122.4646 59.0477 41.2299 174.3080 116 A 5.2950 9.0767 127.8308 50.2756 21.8200 175.2254 117 R 5.0052 8.8439 121.1706 53.9407 33.9688 175.3192 118 D 4.7404 8.6612 121.6597 55.0655 41.8433 177.0424 119 V 3.9618 7.9736 113.5233 62.1686 32.5501 173.5473 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 5 G 8.34 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.14 3.04 3.28 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 0.00 0.00 0.00 0.53 0.00 0.00 7 E 7.82 4.45 0.00 1.96 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 2.20 2.20 0.00 8 N 7.91 4.70 0.00 3.10 3.03 0.00 0.00 5.89 6.67 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 9 L 8.42 3.78 0.00 1.59 1.24 0.76 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.86 3.98 0.00 3.30 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.02 4.06 0.00 3.34 3.31 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 12 Q 8.46 3.88 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.78 0.00 13 S 8.06 4.10 0.00 4.03 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 14 N 8.32 4.19 0.00 2.72 2.83 0.00 0.00 6.91 8.71 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 15 A 7.87 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.21 4.04 0.00 2.99 3.11 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 17 R 8.01 3.70 0.00 1.88 1.91 0.00 3.18 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 18 A 7.86 3.93 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 19 L 8.27 3.86 0.00 1.82 1.83 0.93 0.93 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 20 F 8.09 3.84 0.00 2.18 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 21 E 7.89 3.95 0.00 1.94 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 1.93 2.22 0.00 22 H 8.03 4.67 0.00 3.22 3.27 0.00 5.72 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 23 A 7.42 4.10 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.24 3.93 1.85 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 1.40 0.43 0.89 0.00 0.00 25 D 7.84 4.56 0.00 2.54 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 26 G 8.74 3.80 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 0.00 0.00 0.00 27 I 8.93 5.30 1.58 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 1.26 1.05 1.15 0.00 0.00 28 F 9.04 5.68 0.00 3.37 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 29 I 9.37 5.46 2.00 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 1.12 2.06 0.98 0.00 0.00 *31 D 8.33 4.51 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 32 A 8.37 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.18 0.00 1.99 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 2.23 2.27 0.00 34 G 8.15 3.75 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 0.00 0.00 0.00 35 H 7.93 5.09 0.00 3.43 3.30 0.00 5.63 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 36 Y 8.45 4.49 0.00 3.18 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 37 L 9.30 4.74 0.00 1.68 1.77 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.11 4.95 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 5.12 1.52 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 -0.09 0.00 0.00 0.80 0.00 0.00 40 N 8.43 4.10 0.00 1.92 1.42 0.00 0.00 6.83 7.11 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 41 P 0.00 4.16 0.00 2.07 2.09 0.00 3.45 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 2.13 2.10 0.00 42 A 7.75 3.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 3.56 1.69 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 1.59 1.21 0.46 0.00 0.00 44 C 7.70 4.19 0.00 3.11 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 45 S 8.37 4.07 0.00 3.82 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.74 3.98 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 47 I 7.39 4.22 1.52 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.26 0.77 0.00 0.00 48 G 7.79 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.94 4.80 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 50 T 8.62 4.41 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 51 R 8.59 3.98 0.00 1.95 2.05 0.00 3.27 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 52 D 8.09 4.49 0.00 2.72 2.76 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 53 E 8.21 4.12 0.00 2.20 1.78 0.00 0.00 0.00 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 2.29 0.00 54 F 8.58 4.07 0.00 3.45 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 55 L 8.12 4.61 0.00 1.81 1.84 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.69 4.46 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 57 L 7.54 4.50 0.00 1.79 1.65 0.23 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.34 5.32 0.00 2.78 2.64 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 59 W 8.73 4.66 0.00 3.05 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 60 G 8.95 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 61 V 8.02 3.56 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 0.96 0.00 0.00 1.04 0.00 0.00 62 L 8.05 4.01 0.00 1.65 1.61 0.40 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.87 5.50 0.00 3.77 3.72 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 64 R 7.62 3.66 0.00 1.74 1.74 0.00 2.21 0.00 0.00 2.52 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.37 0.00 65 G 8.36 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 66 V 7.56 3.69 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 1.01 0.00 0.00 0.96 0.00 0.00 67 D 8.11 4.44 0.00 2.68 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 68 S 7.96 4.17 0.00 4.04 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 69 G 8.45 4.01 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 0.00 70 W 8.35 4.07 0.00 3.47 3.34 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 71 A 8.68 3.70 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 72 A 7.99 3.97 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 73 A 8.12 3.90 1.30 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 74 S 7.88 3.84 0.00 3.69 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 75 L 7.99 3.62 0.00 1.86 1.87 0.44 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.01 3.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.80 3.86 0.00 1.99 1.95 0.00 3.41 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 78 I 7.62 4.03 1.80 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.64 0.77 0.00 0.00 79 V 7.72 3.63 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 0.75 0.00 0.00 0.88 0.00 0.00 80 G 7.85 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 0.00 0.00 0.00 81 G 8.09 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 0.00 0.00 0.00 82 E 8.13 4.52 0.00 2.04 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 2.20 2.25 0.00 83 P 0.00 4.51 0.00 1.90 1.76 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 84 L 8.52 4.42 0.00 1.79 1.58 1.30 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.49 5.21 0.00 1.83 1.83 0.00 3.43 0.00 0.00 3.51 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 86 E 9.18 4.86 0.00 2.18 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 2.48 2.52 0.00 87 E 8.72 4.94 0.00 1.86 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 2.28 2.35 0.00 88 R 8.87 4.48 0.00 1.50 1.43 0.00 2.78 0.00 0.00 2.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 89 T 8.18 4.23 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 90 V 8.54 4.66 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.81 0.00 0.00 91 W 9.10 5.23 0.00 3.21 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 92 T 8.77 4.46 4.43 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 1.10 0.00 0.00 93 R 9.02 4.10 0.00 1.93 2.15 0.00 2.89 0.00 0.00 2.84 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 94 N 8.26 4.64 0.00 2.88 3.01 0.00 0.00 6.35 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.18 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 96 D 7.91 4.72 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 4.85 0.00 1.86 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 1.75 1.27 0.00 98 L 8.55 4.72 0.00 1.59 1.57 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.29 4.83 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 1.11 0.00 0.00 100 V 8.59 4.69 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 0.69 0.00 0.00 0.94 0.00 0.00 101 E 9.21 4.76 0.00 2.02 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 2.30 2.32 0.00 102 L 9.27 5.38 0.00 1.96 1.92 1.23 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 103 S 9.23 5.46 0.00 3.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.89 5.11 1.15 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 0.00 0.00 105 H 9.12 5.10 0.00 3.04 3.13 0.00 5.82 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.63 4.33 0.00 1.57 1.54 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.09 4.52 0.00 1.62 1.48 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.20 0.00 1.98 2.09 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 109 D 8.03 4.63 0.00 2.73 2.69 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 0.00 110 G 8.12 3.92 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 0.00 0.00 0.00 111 K 7.69 4.34 0.00 1.74 1.71 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.38 7.81 112 I 8.01 4.80 1.71 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.35 0.77 0.00 0.00 113 L 8.81 4.58 0.00 1.71 1.48 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.64 3.40 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 0.00 0.00 0.00 0.00 115 I 8.69 5.16 1.89 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 1.14 0.76 0.93 0.00 0.00 116 A 9.08 5.29 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 0.00 117 R 8.84 5.01 0.00 1.75 1.80 0.00 3.16 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.60 0.00 118 D 8.66 4.74 0.00 2.54 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.97 3.96 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 0.62 0.00 0.00 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.