NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6757 8.3649 120.2062 53.8855 42.1358 178.5040 6 L 4.2580 6.4805 112.0333 53.4985 42.3246 171.0449 7 V 4.4841 9.1585 123.0619 61.1388 35.3576 175.0794 8 K 4.5726 8.7436 127.0040 55.5002 30.9093 175.8452 9 T 4.7109 7.8935 112.9975 58.8968 71.9277 174.6114 10 L 4.0549 8.5044 123.3589 58.3361 42.3041 179.4232 11 R 3.6034 7.4925 115.4941 57.0007 30.1835 177.6861 *13 N 4.5806 8.3372 114.9455 53.0536 40.6827 176.5581 14 Y 3.8907 7.6891 115.6738 60.9250 37.7628 178.4332 15 L 4.1690 8.1972 120.3670 57.7683 41.7487 179.3594 16 F 4.1267 8.1735 120.1274 61.3520 39.2026 176.4202 17 D 4.1261 7.8110 116.4970 57.3615 40.9820 178.0002 18 F 4.0052 7.8472 117.3153 59.5438 39.2433 176.4463 19 Y 4.6632 7.6321 113.8502 57.4850 38.4447 177.3624 20 Q 3.6197 7.7188 120.9390 59.2601 28.0637 179.0452 21 S 4.1456 7.7439 113.5286 60.3966 63.2583 174.8959 22 L 4.0905 7.6206 119.7386 55.7722 41.6349 176.8386 23 L 4.6394 7.4452 119.1266 53.6515 43.1034 176.6438 24 T 4.3935 8.7002 111.4445 60.9433 71.1689 175.6242 25 N 4.3242 8.5661 118.4032 56.4263 38.5448 177.5579 26 K 3.9484 8.0191 120.4357 59.5803 32.4815 178.7156 27 Q 4.1797 8.2801 118.3495 59.1203 28.6470 178.9777 28 R 4.3337 8.4044 119.2798 59.4718 30.1108 178.6872 29 N 4.9450 8.6564 118.6096 56.2901 38.9331 176.5525 30 Y 4.1003 8.2237 118.2712 61.2695 37.9682 178.7076 31 L 4.2778 8.1165 119.3201 57.5797 41.6897 179.4304 32 E 3.6036 8.5263 119.1841 59.2248 29.3158 179.3963 33 L 3.4770 7.8793 118.9953 57.4726 41.4761 179.4022 34 F 4.2262 8.1469 120.4169 61.5864 39.2278 176.7774 35 Y 4.1298 7.8970 114.6935 60.0736 38.1003 176.9814 36 L 4.1518 7.6680 118.3545 56.8268 42.2080 177.3798 37 E 4.3304 8.2949 115.4606 55.5115 29.9648 175.2811 38 D 4.4980 7.7897 116.3067 54.1033 39.7164 173.0759 39 Y 4.4101 8.1815 114.0687 57.4546 38.8585 176.5343 40 S 4.7547 8.7754 117.9709 57.3178 65.9786 175.3720 41 L 4.0940 8.5962 121.6132 58.2267 41.2173 180.0516 42 S 4.1715 8.0729 114.5322 61.6646 62.8475 176.4247 43 E 3.9521 8.2346 121.2729 59.3638 29.0565 179.5518 44 I 3.4868 8.0882 119.7480 64.1464 37.1805 178.1767 45 A 4.0762 8.3812 122.0545 55.5075 17.9690 179.4980 46 D 4.3715 8.1596 116.4399 57.6520 40.9185 178.8423 47 T 4.0068 7.6113 115.7106 66.1660 68.5612 175.9637 48 F 4.8772 8.1523 116.8069 56.3910 40.3047 174.9541 49 N 4.2043 8.0729 116.6852 55.0292 37.5032 172.5291 50 V 4.6516 7.3898 108.8197 58.6455 36.3528 176.5982 51 S 4.4551 8.3056 115.5359 58.2780 64.9421 175.3434 52 R 3.9817 8.5332 122.2091 59.5225 29.7633 179.0759 53 Q 3.9956 8.1346 118.6800 59.1318 29.1190 178.0660 54 A 3.9915 8.0446 121.7856 55.1203 18.3469 179.8032 55 V 3.6469 7.8685 116.6951 66.2512 31.6225 177.4886 56 Y 3.8599 8.3017 119.5831 60.9914 38.5775 177.9984 57 D 4.1349 8.4485 119.9406 57.1713 40.8316 178.6266 58 N 4.0172 7.8595 117.0504 56.2509 38.3183 177.6012 59 I 3.5887 7.4700 121.4301 63.9779 37.0949 178.4468 60 R 3.6409 7.7337 119.9492 59.4642 29.8985 178.8102 61 R 3.8455 7.9657 118.0641 59.6153 30.0249 179.3051 62 T 4.0476 7.9608 115.7042 66.4724 68.4524 177.1324 63 G 3.6923 8.4417 108.0526 47.9732 0.0000 175.5559 64 D 4.3969 8.2134 121.2728 56.8351 40.6855 178.6360 65 L 3.7409 7.8819 121.0824 58.0928 42.1270 179.2339 66 V 3.7749 8.0424 118.2761 66.0917 31.4820 177.9013 67 E 4.0411 8.3455 118.4874 59.2028 29.2880 178.7773 68 D 4.2127 8.1016 118.4202 57.4895 41.2558 177.9111 69 Y 3.9924 7.7493 117.4215 60.9192 37.6621 178.1949 70 E 4.0785 7.8976 120.3006 59.0838 29.5279 178.7858 71 K 3.9892 7.9313 118.9655 59.2329 32.2793 178.6858 72 K 4.1402 7.8125 117.9440 58.8643 32.2724 178.5432 73 L 4.4416 8.3448 117.3076 53.8311 42.6704 176.5966 74 E 4.1381 8.5943 117.6649 57.2499 27.9507 176.9681 75 L 3.8090 8.1964 121.0553 57.8533 41.4495 178.4642 76 Y 3.8660 8.3993 119.9741 60.5413 38.8302 177.7155 77 Q 3.7655 8.4561 118.6956 59.1920 28.5719 178.8489 78 K 3.8943 8.1185 120.4191 59.0303 32.0181 179.0675 79 F 4.1358 8.2631 121.0601 61.2879 39.3101 177.0397 80 E 3.4780 8.3247 118.5697 59.3513 29.2438 179.1964 81 Q 3.7990 7.7407 119.4246 59.0558 29.0465 178.3958 82 R 3.4298 7.7756 119.2571 58.7975 30.0181 178.9228 83 R 3.5546 7.4862 118.7505 59.1514 29.9667 178.1970 84 E 3.7743 7.7226 118.9886 59.2751 29.4006 178.8678 85 I 3.5923 7.2214 118.5812 64.5384 37.2016 177.6392 86 Y 4.4446 7.5369 116.8055 61.2774 37.7364 178.2176 87 D 4.5364 7.7678 118.7141 57.1309 41.2514 179.4760 88 E 4.0785 7.8299 118.7589 56.2071 29.3598 178.6097 *90 K 4.2776 7.9894 117.2266 56.0884 33.9255 176.4512 91 Q 4.5160 7.9705 116.7271 56.1911 29.8656 175.4182 92 H 5.1093 7.6597 115.4642 55.1841 30.2315 175.3900 93 L 4.0489 8.3955 121.6262 57.6472 41.5880 178.4334 94 S 4.5942 8.0261 112.3792 58.1282 63.0809 173.9388 95 N 4.8370 8.1834 119.9366 50.7391 40.3048 172.5924 96 P 4.2837 0.0000 0.0000 65.7566 31.5204 178.3929 97 E 3.9428 8.1893 116.8015 59.2908 29.3752 179.2942 98 Q 3.7011 8.2281 117.9587 59.0134 28.7695 178.7154 99 I 3.9300 7.9064 120.8161 64.5050 37.1518 178.2359 100 Q 3.9740 8.4172 120.9082 59.2401 28.8908 178.6341 101 R 3.9500 7.9786 117.0342 59.2868 29.5063 178.4358 102 Y 4.2900 8.0622 117.7528 60.9093 37.8306 178.1453 103 I 3.7899 8.2230 121.1898 64.3637 37.1415 178.1702 104 Q 4.1271 8.0215 120.4393 59.3040 28.9998 178.2055 105 Q 3.9642 8.0942 120.6119 59.1089 28.8561 178.1385 106 L 4.0099 7.9641 119.3516 57.8730 41.6431 179.0641 107 E 4.1448 8.4259 118.6022 59.4307 29.1959 179.0191 108 D 4.4361 8.1208 118.2617 56.4630 41.0060 177.9438 109 L 4.2304 7.5813 118.2572 56.9616 40.8895 176.7097 110 E 4.1221 7.6822 124.1857 56.8386 29.3669 176.5240 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 D 8.36 4.68 0.00 2.73 2.16 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 6 L 6.48 4.26 0.00 1.91 1.87 0.56 0.48 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 7 V 9.16 4.48 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 0.92 0.00 0.00 1.08 0.00 0.00 8 K 8.74 4.57 0.00 1.77 1.79 0.00 1.46 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.28 7.81 9 T 7.89 4.71 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 1.28 0.00 0.00 10 L 8.50 4.05 0.00 1.84 1.84 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.49 3.60 0.00 1.99 1.94 0.00 3.31 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 *13 N 8.34 4.58 0.00 2.77 2.60 0.00 0.00 7.03 7.48 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 14 Y 7.69 3.89 0.00 2.58 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 15 L 8.20 4.17 0.00 1.74 1.97 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.17 4.13 0.00 3.10 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 17 D 7.81 4.13 0.00 2.64 2.34 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 18 F 7.85 4.01 0.00 2.37 1.88 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 19 Y 7.63 4.66 0.00 3.12 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 20 Q 7.72 3.62 0.00 1.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 21 S 7.74 4.15 0.00 3.93 3.95 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 22 L 7.62 4.09 0.00 1.39 1.40 0.04 0.69 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 23 L 7.45 4.64 0.00 1.81 1.80 1.11 1.16 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 24 T 8.70 4.39 4.27 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 1.28 0.00 0.00 25 N 8.57 4.32 0.00 2.76 2.92 0.00 0.00 6.43 7.68 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 26 K 8.02 3.95 0.00 1.86 1.86 0.00 1.37 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.55 1.78 7.81 27 Q 8.28 4.18 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 28 R 8.40 4.33 0.00 2.21 2.38 0.00 3.21 0.00 0.00 3.18 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 29 N 8.66 4.95 0.00 2.97 2.81 0.00 0.00 6.79 7.10 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 30 Y 8.22 4.10 0.00 3.37 2.98 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 0.00 0.00 0.00 31 L 8.12 4.28 0.00 1.75 1.71 1.26 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.53 3.60 0.00 2.06 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 0.00 2.34 2.44 0.00 33 L 7.88 3.48 0.00 1.54 0.96 0.35 -0.00 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 34 F 8.15 4.23 0.00 2.94 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 35 Y 7.90 4.13 0.00 3.01 2.84 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 36 L 7.67 4.15 0.00 1.64 1.63 0.51 0.80 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 37 E 8.29 4.33 0.00 2.07 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 0.00 2.30 2.27 0.00 38 D 7.79 4.50 0.00 2.68 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 39 Y 8.18 4.41 0.00 2.93 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 40 S 8.78 4.75 0.00 4.12 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 41 L 8.60 4.09 0.00 1.78 1.82 1.02 0.51 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 42 S 8.07 4.17 0.00 3.88 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 43 E 8.23 3.95 0.00 2.21 1.86 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 2.21 2.29 0.00 44 I 8.09 3.49 2.04 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.02 0.59 0.00 0.00 45 A 8.38 4.08 1.48 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 0.00 0.00 46 D 8.16 4.37 0.00 2.78 2.74 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 0.00 0.00 0.00 47 T 7.61 4.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 48 F 8.15 4.88 0.00 2.99 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 49 N 8.07 4.20 0.00 2.86 2.88 0.00 0.00 6.91 7.65 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 50 V 7.39 4.65 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 0.99 0.00 0.00 1.17 0.00 0.00 51 S 8.31 4.46 0.00 4.08 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 52 R 8.53 3.98 0.00 1.89 2.05 0.00 3.14 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 53 Q 8.13 4.00 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 54 A 8.04 3.99 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 55 V 7.87 3.65 2.33 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 1.25 0.00 0.00 1.25 0.00 0.00 56 Y 8.30 3.86 0.00 3.05 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 57 D 8.45 4.13 0.00 2.66 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 58 N 7.86 4.02 0.00 2.11 1.44 0.00 0.00 6.98 6.86 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 59 I 7.47 3.59 1.40 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.49 0.00 0.00 60 R 7.73 3.64 0.00 1.04 1.62 0.00 3.07 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 61 R 7.97 3.85 0.00 1.83 1.88 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 62 T 7.96 4.05 4.28 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 1.40 0.00 0.00 63 G 8.44 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 0.00 0.00 0.00 64 D 8.21 4.40 0.00 2.82 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 65 L 7.88 3.74 0.00 1.70 1.88 0.52 0.72 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 66 V 8.04 3.77 2.32 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 1.24 0.00 0.00 1.18 0.00 0.00 67 E 8.35 4.04 0.00 2.18 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 2.47 2.48 0.00 68 D 8.10 4.21 0.00 2.62 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 69 Y 7.75 3.99 0.00 2.47 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 0.00 0.00 0.00 70 E 7.90 4.08 0.00 2.32 2.16 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 2.49 2.46 0.00 71 K 7.93 3.99 0.00 1.78 1.91 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 72 K 7.81 4.14 0.00 1.92 1.86 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.55 7.81 73 L 8.34 4.44 0.00 1.81 1.84 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.59 4.14 0.00 2.14 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 2.27 0.00 75 L 8.20 3.81 0.00 1.01 0.95 0.91 0.61 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 76 Y 8.40 3.87 0.00 2.86 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 77 Q 8.46 3.77 0.00 2.23 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 78 K 8.12 3.89 0.00 1.78 1.86 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.53 7.81 79 F 8.26 4.14 0.00 3.24 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 80 E 8.32 3.48 0.00 1.83 1.68 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 1.87 1.47 0.00 81 Q 7.74 3.80 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 82 R 7.78 3.43 0.00 1.61 1.10 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.74 0.00 83 R 7.49 3.55 0.00 1.16 1.61 0.00 3.06 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 84 E 7.72 3.77 0.00 1.99 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 0.00 2.23 2.51 0.00 85 I 7.22 3.59 1.67 0.00 0.00 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 1.50 0.62 0.83 0.00 0.00 86 Y 7.54 4.44 0.00 2.94 2.83 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 87 D 7.77 4.54 0.00 2.76 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 88 E 7.83 4.08 0.00 1.52 1.73 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 2.29 2.52 0.00 *90 K 7.99 4.28 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.62 7.81 91 Q 7.97 4.52 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.43 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 92 H 7.66 5.11 0.00 3.34 3.33 0.00 5.63 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.40 4.05 0.00 1.64 1.76 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.03 4.59 0.00 3.87 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 95 N 8.18 4.84 0.00 2.77 2.72 0.00 0.00 7.21 7.03 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 96 P 0.00 4.28 0.00 2.20 2.10 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 97 E 8.19 3.94 0.00 2.18 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 2.37 2.43 0.00 98 Q 8.23 3.70 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 99 I 7.91 3.93 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.99 0.98 0.00 0.00 100 Q 8.42 3.97 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 101 R 7.98 3.95 0.00 1.99 2.03 0.00 2.35 0.00 0.00 2.88 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.41 0.00 102 Y 8.06 4.29 0.00 3.21 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 0.00 103 I 8.22 3.79 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 1.48 0.98 0.95 0.00 0.00 104 Q 8.02 4.13 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 105 Q 8.09 3.96 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 106 L 7.96 4.01 0.00 1.89 1.77 1.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.43 4.14 0.00 2.18 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 2.35 2.54 0.00 108 D 8.12 4.44 0.00 2.64 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 0.00 109 L 7.58 4.23 0.00 1.77 1.75 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 110 E 7.68 4.12 0.00 2.06 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 2.53 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.