NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5025 8.1633 120.6134 55.5125 34.3073 173.5238 3 I 4.9233 8.2501 122.5685 59.1403 39.6384 173.8512 4 R 4.7316 9.5209 125.3141 54.3401 34.8906 174.1850 5 G 4.3886 8.6941 108.6010 45.1585 0.0000 173.0113 6 I 4.7428 9.0765 124.4748 59.3021 40.3221 174.8579 7 R 5.0186 8.9601 126.9891 55.2364 32.7013 174.8400 8 G 4.3451 8.4356 108.6154 45.3502 0.0000 171.6756 9 A 5.1777 8.7787 122.5382 51.1487 23.3902 175.1989 10 T 5.0581 8.5876 114.2333 61.7266 71.6562 171.9465 11 T 5.1880 8.2750 112.1220 60.1592 72.0138 173.4147 12 V 4.5086 8.2859 114.7719 59.8332 34.7888 176.1660 13 E 4.1517 9.8130 123.1815 58.6294 29.7271 177.6379 14 R 4.7103 7.8402 114.8892 54.2694 33.8080 175.6321 15 D 4.6472 8.3443 120.7638 53.1725 39.8736 175.7491 16 T 4.7130 7.3771 112.4765 58.3174 73.6348 174.2145 17 E 3.8733 8.7195 123.3732 59.5260 29.6789 178.6959 18 E 3.8866 8.1543 118.6402 59.4995 29.6228 178.3892 19 E 3.9193 7.8341 118.2916 59.1810 29.7281 178.6291 20 I 3.6684 7.7296 119.8675 64.5840 37.2433 178.4915 21 L 4.0031 8.0572 119.7168 57.5342 41.3907 179.4115 22 Q 3.9008 8.0789 119.5844 59.3368 29.0954 178.5434 23 K 4.0679 8.3499 119.6658 59.3889 32.0600 179.6979 24 T 3.8565 8.0489 116.4354 66.2438 68.2793 176.6734 25 K 3.7945 8.0318 121.6002 59.4639 32.2375 178.4750 26 Q 3.8714 7.9904 119.7607 59.1133 28.9740 178.0631 27 L 3.8898 7.9507 121.2049 58.2041 42.0653 178.9973 28 L 3.8630 7.8883 118.7944 57.8397 41.4451 179.3860 29 E 3.8178 8.2988 118.8013 59.0448 29.2921 179.3160 30 K 3.8795 8.0699 119.7121 59.5087 32.2890 178.9453 31 I 3.6572 7.7397 119.9553 64.5540 37.1834 178.5174 32 I 3.8087 7.8815 120.7337 64.1743 36.9969 178.2101 33 E 3.8955 8.4682 120.4680 59.5156 29.3780 178.8075 34 E 4.0169 8.1514 117.1903 58.6061 29.6091 178.1209 35 N 4.6768 7.9689 113.2270 51.9211 39.9889 174.1945 36 H 4.1435 7.5326 115.7089 57.0296 26.8296 175.4317 37 T 4.2722 7.8868 115.0106 63.0318 69.4996 175.0392 38 K 4.6152 8.4401 126.0475 53.7592 34.0777 175.5648 39 P 3.1142 0.0000 0.0000 65.6359 30.9006 178.1450 40 E 3.9903 7.8370 116.4251 58.3023 29.6899 177.1862 41 D 4.4373 7.9914 118.1391 54.9643 41.4436 176.1839 42 V 4.0944 6.9687 119.7041 62.1095 31.5624 175.6587 43 V 3.8637 8.6753 129.0319 65.2541 31.6532 175.6479 44 Q 4.7614 7.6115 115.5463 55.8639 32.1469 171.6934 45 M 5.2415 8.8152 118.4747 53.9477 36.1889 173.3687 46 L 5.2360 8.9928 125.5182 53.0256 44.5837 175.3058 47 L 5.3641 8.8250 124.4737 53.0148 44.0980 176.1752 48 S 5.6582 9.2383 115.6952 55.7261 66.9199 172.6488 49 A 5.3330 8.3074 121.4986 50.2263 22.9169 175.6807 50 T 4.3851 8.5212 110.6350 60.4967 70.1921 173.9214 51 P 4.2618 0.0000 0.0000 64.3276 31.0628 176.2313 52 D 4.7062 8.1342 118.0132 53.0871 39.8280 175.3720 53 L 4.7670 7.4538 120.0089 53.6835 43.6049 175.7371 54 H 4.7597 9.2539 117.9750 54.7811 31.2485 174.3726 55 A 4.1225 8.3396 123.0366 54.7500 18.1899 177.8680 56 V 4.2280 6.8988 110.5336 60.6408 33.9148 172.7137 57 F 4.3047 8.4972 120.0713 56.5246 39.3897 174.9513 58 P 4.2811 0.0000 0.0000 65.7011 31.0538 178.3562 59 A 4.0960 8.1784 118.8682 54.6299 18.4344 179.0849 60 K 3.9200 8.3300 117.9892 59.2254 32.1149 178.5365 61 A 4.1362 7.9408 120.6119 54.7869 18.3838 179.5409 62 V 3.4932 7.8221 116.9429 66.0478 31.2261 178.3659 63 R 3.9829 7.3799 116.0497 59.0204 29.9562 178.0547 64 E 4.1961 7.9336 116.2402 56.6905 29.8727 177.0612 65 L 4.1075 6.8473 119.0159 54.0296 42.5357 176.3804 66 S 4.4747 8.5650 115.5299 58.7693 62.3006 173.8622 67 G 3.9668 9.1325 115.9427 45.9177 0.0000 172.6211 68 W 4.5581 8.1590 117.2708 56.1005 29.2798 178.1227 69 Q 3.9864 7.9683 118.5129 58.5443 28.1752 176.3332 70 Y 4.5459 7.4789 114.0655 57.7716 38.5971 175.4521 71 V 3.7676 7.3154 120.7782 61.3823 31.7974 173.6861 72 P 4.4975 0.0000 0.0000 62.9727 32.1963 175.4729 73 V 5.2283 8.2553 123.0640 60.7045 34.9191 174.4952 74 T 4.3540 7.8981 119.0373 61.6924 70.6937 171.8017 *76 M 4.6345 8.5606 118.4739 55.6928 34.0946 174.0210 77 Q 4.9787 8.4091 121.0508 54.6596 30.5024 174.8521 78 E 4.2869 8.9360 127.9037 55.6091 30.7322 176.0708 79 M 3.9234 8.5877 124.4404 55.8722 32.7128 175.4681 80 D 4.4886 8.6011 125.7403 53.4446 41.0521 175.3763 81 V 4.2753 8.0617 127.4462 60.5328 33.1266 174.8521 82 T 3.9494 8.5239 118.0069 63.6547 68.5506 174.3412 83 G 3.8598 9.0996 114.3713 45.1028 0.0000 173.1801 84 G 3.8443 7.9515 109.1306 43.8106 0.0000 173.5450 85 L 3.9069 8.2951 121.2779 55.2269 42.1393 176.9361 86 K 4.2659 8.5285 125.3441 55.6120 33.9953 176.2724 87 K 4.0181 8.6654 117.1634 56.8446 30.2672 174.5282 88 S 5.3173 8.1737 113.0127 56.5308 65.9700 173.2751 89 I 5.0484 8.4027 126.6126 59.5330 39.8944 174.8379 90 K 5.1262 9.2423 125.6866 54.5380 36.6561 175.2469 91 V 4.8464 8.8153 121.3736 61.5738 35.3373 174.3163 92 M 4.6759 9.0440 126.0375 54.0401 34.2147 172.1776 93 M 4.7154 9.2113 125.7994 54.2343 34.2962 174.4030 94 T 4.9080 8.7672 123.7036 62.4151 70.4579 174.4235 95 V 4.9562 8.9328 119.4297 59.5132 36.5746 174.2541 96 Q 4.7996 8.6671 124.4005 55.7685 29.6915 174.7608 97 T 4.4990 8.4621 119.0594 61.9422 70.4610 172.7162 98 D 4.6259 8.7380 124.1571 54.8043 41.9479 177.5019 99 V 3.6239 7.4900 120.0086 61.9510 31.8784 173.9224 100 P 4.3543 0.0000 0.0000 62.8495 31.9761 176.6810 101 Q 3.9509 8.9508 121.5854 59.5324 28.8784 178.1843 102 D 4.6805 8.0639 114.2616 54.6546 39.8387 176.3848 103 Q 4.5410 7.9769 118.0604 55.5893 29.8261 175.8952 104 I 3.7124 7.2428 119.0170 61.2927 37.4801 176.2865 105 R 4.3214 8.6870 125.0520 55.2130 29.2567 175.5789 106 H 4.7082 8.4071 120.1492 55.0532 30.2802 175.0593 107 V 4.3563 8.3546 122.1656 61.2935 33.8066 173.7901 108 Y 5.0716 8.7490 125.0821 56.3495 40.5661 174.8040 109 L 4.7524 8.8818 123.9049 52.6087 45.8857 177.2580 110 E 3.5598 8.8054 118.3978 57.7494 28.0602 177.3332 111 K 4.2536 8.6303 122.1962 58.9661 32.1764 177.5823 112 A 4.4658 7.8281 120.8401 52.7090 18.6463 179.4438 113 V 3.7614 7.6913 113.2380 64.2291 31.3824 178.5069 114 V 3.7903 7.2457 109.8271 63.1979 31.3757 177.4116 115 L 4.2778 7.5095 120.0416 56.5358 41.9420 177.3576 116 R 3.4313 7.2527 121.1539 56.1144 29.2597 181.0876 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 2 M 8.16 4.50 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 3 I 8.25 4.92 1.88 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 1.34 0.41 0.92 0.00 0.00 4 R 9.52 4.73 0.00 1.64 1.78 0.00 3.29 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 5 G 8.69 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 6 I 9.08 4.74 1.90 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 1.11 0.86 0.90 0.00 0.00 7 R 8.96 5.02 0.00 1.88 1.74 0.00 3.21 0.00 0.00 3.44 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 8 G 8.44 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 5.18 1.19 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 0.00 0.00 10 T 8.59 5.06 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 1.19 0.00 0.00 11 T 8.28 5.19 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 1.22 0.00 0.00 12 V 8.29 4.51 2.06 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 0.69 0.00 0.00 0.96 0.00 0.00 13 E 9.81 4.15 0.00 2.03 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 2.33 2.41 0.00 14 R 7.84 4.71 0.00 1.76 1.77 0.00 3.15 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 15 D 8.34 4.65 0.00 2.58 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 16 T 7.38 4.71 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 1.20 0.00 0.00 17 E 8.72 3.87 0.00 2.04 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 2.38 2.38 0.00 18 E 8.15 3.89 0.00 2.06 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 2.37 2.37 0.00 19 E 7.83 3.92 0.00 2.09 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 2.29 2.33 0.00 20 I 7.73 3.67 1.91 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 1.49 0.66 0.89 0.00 0.00 21 L 8.06 4.00 0.00 1.72 1.70 0.92 0.72 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 22 Q 8.08 3.90 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 23 K 8.35 4.07 0.00 1.89 1.82 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 24 T 8.05 3.86 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 1.25 0.00 0.00 25 K 8.03 3.79 0.00 1.86 1.93 0.00 1.59 0.00 0.00 1.52 0.00 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.35 7.81 26 Q 7.99 3.87 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 27 L 7.95 3.89 0.00 1.84 1.78 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.89 3.86 0.00 1.68 1.35 0.80 0.69 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 29 E 8.30 3.82 0.00 1.92 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 2.20 2.38 0.00 30 K 8.07 3.88 0.00 2.01 1.92 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.50 7.81 31 I 7.74 3.66 1.96 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 1.46 0.76 0.92 0.00 0.00 32 I 7.88 3.81 1.97 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.20 1.08 0.00 0.00 33 E 8.47 3.90 0.00 2.10 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 2.29 2.35 0.00 34 E 8.15 4.02 0.00 1.94 1.96 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 2.59 2.48 0.00 35 N 7.97 4.68 0.00 2.80 2.84 0.00 0.00 7.10 7.73 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 36 H 7.53 4.14 0.00 3.43 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.89 4.27 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 1.36 0.00 0.00 38 K 8.44 4.62 0.00 2.01 1.95 0.00 1.70 0.00 0.00 1.99 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.43 7.81 39 P 0.00 3.11 0.00 1.76 0.84 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 40 E 7.84 3.99 0.00 1.89 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 2.26 2.31 0.00 41 D 7.99 4.44 0.00 2.83 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 42 V 6.97 4.09 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 0.77 0.00 0.00 0.66 0.00 0.00 43 V 8.68 3.86 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 0.81 0.00 0.00 0.92 0.00 0.00 44 Q 7.61 4.76 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 45 M 8.82 5.24 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 46 L 8.99 5.24 0.00 1.62 1.55 0.94 0.34 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 47 L 8.83 5.36 0.00 1.54 1.59 0.96 1.07 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 48 S 9.24 5.66 0.00 3.86 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 49 A 8.31 5.33 1.18 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 0.00 0.00 50 T 8.52 4.39 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 1.27 0.00 0.00 51 P 0.00 4.26 0.00 2.21 2.38 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 52 D 8.13 4.71 0.00 2.85 2.89 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 53 L 7.45 4.77 0.00 1.52 1.51 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.25 4.76 0.00 3.05 3.17 0.00 5.68 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 55 A 8.34 4.12 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 56 V 6.90 4.23 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 0.66 0.00 0.00 0.98 0.00 0.00 57 F 8.50 4.30 0.00 3.14 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 58 P 0.00 4.28 0.00 2.19 2.13 0.00 3.73 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 59 A 8.18 4.10 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 60 K 8.33 3.92 0.00 2.00 1.91 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 61 A 7.94 4.14 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 62 V 7.82 3.49 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 1.16 0.00 0.00 0.97 0.00 0.00 63 R 7.38 3.98 0.00 1.99 1.97 0.00 3.21 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 64 E 7.93 4.20 0.00 2.01 1.96 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 2.32 2.32 0.00 65 L 6.85 4.11 0.00 1.58 1.16 -0.10 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.56 4.47 0.00 3.86 3.86 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 67 G 9.13 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 0.00 0.00 0.00 68 W 8.16 4.56 0.00 3.38 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 0.00 69 Q 7.97 3.99 0.00 1.85 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.87 0.00 0.00 0.00 0.00 0.00 1.96 1.16 0.00 70 Y 7.48 4.55 0.00 2.96 2.94 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 0.00 0.00 0.00 71 V 7.32 3.77 2.31 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 0.83 0.00 0.00 0.48 0.00 0.00 72 P 0.00 4.50 0.00 2.17 2.19 0.00 3.69 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 2.14 1.97 0.00 73 V 8.26 5.23 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 1.19 0.00 0.00 1.06 0.00 0.00 74 T 7.90 4.35 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 1.22 0.00 0.00 *76 M 8.56 4.63 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 77 Q 8.41 4.98 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 78 E 8.94 4.29 0.00 2.02 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 0.00 2.33 2.27 0.00 79 M 8.59 3.92 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 80 D 8.60 4.49 0.00 2.66 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 81 V 8.06 4.28 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 1.09 0.00 0.00 0.94 0.00 0.00 82 T 8.52 3.95 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 83 G 9.10 3.86 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 0.00 0.00 0.00 84 G 7.95 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 85 L 8.30 3.91 0.00 1.61 1.63 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.53 4.27 0.00 1.78 1.86 0.00 2.06 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.54 1.39 7.81 87 K 8.67 4.02 0.00 1.87 1.84 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.30 7.81 88 S 8.17 5.32 0.00 3.88 3.67 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 0.00 0.00 0.00 0.00 89 I 8.40 5.05 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 1.21 0.98 0.95 0.00 0.00 90 K 9.24 5.13 0.00 1.63 1.64 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.35 7.81 91 V 8.82 4.85 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 0.95 0.00 0.00 0.89 0.00 0.00 92 M 9.04 4.68 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 93 M 9.21 4.72 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 94 T 8.77 4.91 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 1.22 0.00 0.00 95 V 8.93 4.96 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 0.72 0.00 0.00 1.01 0.00 0.00 96 Q 8.67 4.80 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 97 T 8.46 4.50 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 98 D 8.74 4.63 0.00 2.70 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 99 V 7.49 3.62 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 0.78 0.00 0.00 0.95 0.00 0.00 100 P 0.00 4.35 0.00 2.50 2.19 0.00 3.52 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 2.25 2.09 0.00 101 Q 8.95 3.95 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 102 D 8.06 4.68 0.00 2.84 2.79 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 0.00 103 Q 7.98 4.54 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 104 I 7.24 3.71 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.75 0.00 0.00 105 R 8.69 4.32 0.00 1.75 1.90 0.00 3.32 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 106 H 8.41 4.71 0.00 3.26 3.33 0.00 5.65 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 0.00 107 V 8.35 4.36 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 0.95 0.00 0.00 0.94 0.00 0.00 108 Y 8.75 5.07 0.00 2.86 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 L 8.88 4.75 0.00 1.52 1.53 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.81 3.56 0.00 2.14 1.77 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 2.30 2.43 0.00 111 K 8.63 4.25 0.00 1.84 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.46 7.81 112 A 7.83 4.47 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 0.00 113 V 7.69 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 1.03 0.00 0.00 1.02 0.00 0.00 114 V 7.25 3.79 2.06 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 0.77 0.00 0.00 0.99 0.00 0.00 115 L 7.51 4.28 0.00 1.56 1.59 1.06 0.65 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 0.00 116 R 7.25 3.43 0.00 1.87 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.