NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5026 8.2827 118.1093 52.3022 38.7522 174.2949 3 I 3.4955 8.3339 117.4362 63.8695 38.3789 176.6385 4 F 4.3429 9.6449 120.7776 60.8564 39.9036 178.2197 5 E 4.2362 7.9899 117.1568 56.8411 28.5555 178.9704 *7 L 4.1892 7.9860 121.4634 54.7916 43.8151 179.3307 8 R 3.6589 8.0120 118.2063 58.9794 29.5903 178.8273 9 I 3.7172 7.4757 119.1371 64.5803 37.3208 177.7896 10 D 4.5562 8.1886 117.7343 56.9499 40.7690 177.1731 11 E 4.2223 8.5151 117.9727 55.8687 30.5933 177.1517 12 G 3.8532 8.2944 105.1597 44.7261 0.0000 171.5379 13 L 4.9402 7.9490 119.0286 53.0851 44.5327 175.5467 14 R 4.6909 8.7832 124.0853 54.6569 34.4604 175.5615 15 L 4.6443 8.7371 121.3836 54.6555 43.0242 175.6857 16 K 5.1675 7.8314 119.6844 54.0429 35.3893 175.6678 17 I 4.1665 8.0747 126.3974 62.7214 37.7910 174.6675 18 Y 4.9904 8.8986 123.1185 55.9012 42.1716 173.3557 19 K 4.7839 8.6527 119.1689 54.9446 33.9150 177.4846 20 D 4.8687 9.0216 125.3692 52.8760 41.2011 176.6770 21 T 4.0058 8.4574 107.8512 64.3720 68.9776 174.7995 22 E 4.0148 8.2482 119.8069 56.2758 29.9136 176.6761 23 G 3.6086 7.8093 107.1579 45.5281 0.0000 172.7467 24 Y 4.7586 7.7174 116.8974 55.8298 40.7801 174.9265 25 Y 4.5930 7.8831 120.7559 58.9189 39.0371 175.6052 26 T 5.0725 8.8077 120.1991 62.3088 73.8797 172.3417 27 I 4.6941 8.7746 121.7611 59.9614 42.4000 177.3870 28 G 3.9925 9.5393 116.4801 47.1962 0.0000 176.5545 29 I 4.9451 7.9207 118.7844 58.5904 35.9105 175.1100 30 G 4.0502 8.3968 103.6298 46.1745 0.0000 171.1132 31 H 4.3446 8.2585 120.6437 54.3374 29.3021 174.4259 32 L 4.4029 8.1326 129.9588 55.1792 42.3681 176.5068 33 L 4.2579 8.9853 127.1771 57.2730 42.2028 177.1945 34 T 4.2953 7.2479 108.9995 61.3847 69.7494 173.3486 35 K 3.7180 8.4740 125.7493 56.5151 32.5584 177.3859 36 S 4.5578 8.5246 115.3571 57.0134 63.8061 172.9343 37 P 4.4828 0.0000 0.0000 64.8893 31.8381 176.9791 38 S 4.4043 7.9933 114.9730 57.6856 63.4589 174.4317 39 L 3.1126 8.5014 130.4744 57.8697 41.8601 178.7065 40 N 4.2383 7.9938 116.0877 55.8885 38.4919 176.8794 41 A 3.9263 7.9472 121.5504 55.1718 18.5097 179.2628 42 A 3.8612 7.7317 119.0869 55.3968 18.3095 180.0910 43 K 3.9914 8.0027 117.0291 59.4430 32.0400 179.6505 44 S 4.0489 8.3894 113.9867 61.3615 62.3256 176.0201 45 E 3.9604 8.4348 121.7605 59.2191 29.1721 178.9682 46 L 3.9560 8.4390 120.6854 58.4715 42.1270 178.9269 47 D 4.6794 8.2337 120.3040 56.5725 40.4967 178.5301 48 K 3.9055 7.9111 119.2845 59.5640 32.2406 178.3687 49 A 4.1699 7.8681 119.9529 54.8851 18.4725 179.2201 50 I 4.0087 7.7220 117.6876 61.9725 37.3607 177.1360 51 G 3.8948 10.0730 107.4316 45.0598 0.0000 172.6011 52 R 4.2914 7.3659 114.2580 55.1163 31.6021 173.3733 53 N 4.8175 8.5665 117.4290 53.0470 37.6750 173.9056 54 T 4.1256 9.4372 117.4543 61.4777 69.7863 175.6170 55 N 3.9515 9.0254 118.1202 54.4721 37.4865 174.6021 56 G 3.9758 8.5182 103.3306 44.7476 0.0000 173.6941 57 V 5.0299 7.4438 118.6553 60.9484 34.6122 174.3116 58 I 4.9442 8.5462 119.7121 59.4149 41.3810 174.2805 59 T 4.3947 9.4150 113.4394 60.3529 70.9675 176.2081 60 K 3.9245 8.6854 121.5265 59.8345 32.1799 178.0042 61 D 4.4112 8.1736 118.6147 57.6590 40.6767 178.6452 62 E 3.9740 8.3714 118.5618 59.3555 29.4204 179.2064 63 A 4.0709 8.1498 120.7143 55.4488 18.3788 179.6275 64 E 4.1680 8.4988 117.0507 59.1838 29.5960 179.5772 65 K 3.9638 8.2194 119.9003 59.5511 32.3725 178.7379 66 L 4.0246 8.3124 119.7005 57.9549 41.5048 179.4385 67 F 4.7146 8.5614 120.5196 61.4244 39.3701 176.8276 68 N 4.4524 8.6053 116.3965 56.5551 38.3328 177.2677 69 Q 4.0455 8.0378 118.8872 59.2681 28.8809 178.8110 70 D 4.4054 8.8018 120.1449 57.3324 40.8567 179.0786 71 V 3.6731 8.3223 119.2637 65.9031 31.5813 177.5259 72 D 4.2901 8.2567 117.5917 57.3760 41.1053 178.0703 73 A 3.9692 8.4254 121.3929 54.9952 18.3399 179.2511 74 A 3.8741 8.0630 119.2501 55.4408 18.4879 179.9479 75 V 3.3639 7.7898 116.4896 66.3513 31.5409 178.5293 76 R 4.1045 7.9454 117.4969 58.8738 29.6276 179.1261 77 G 3.6163 8.3536 105.2725 47.8295 0.0000 175.3152 78 I 3.7555 7.5940 122.3128 64.2428 36.9341 178.6545 79 L 3.9919 7.9386 118.1336 57.5489 41.4099 179.4020 80 R 4.2106 7.8165 117.4642 57.1137 30.1849 176.2246 81 N 4.5301 7.5185 117.7980 52.2796 39.2081 174.6937 82 A 4.1466 8.7211 129.3019 54.8815 18.6343 177.2137 83 K 4.3956 8.3949 115.0078 56.8034 33.0084 178.2269 *85 K 4.4255 8.1939 120.5657 56.1392 34.0915 175.8909 86 P 4.4292 0.0000 0.0000 65.2700 30.9229 178.9043 87 V 3.6104 7.7133 116.0913 66.2413 31.7063 176.9567 88 Y 4.2362 8.0543 117.3545 60.9377 38.7876 177.3875 89 D 4.5819 8.8005 119.2914 56.7800 40.8705 178.1127 90 S 4.4112 7.4484 112.3560 58.2211 63.3181 173.2743 *92 D 4.3053 7.5977 121.4488 53.1678 40.4137 175.9857 93 A 3.8672 8.2920 120.3708 55.1958 18.1532 180.0870 94 V 3.0090 7.4784 116.0683 66.1302 31.4835 178.4062 95 R 3.5841 7.6771 116.2584 59.0993 29.8704 178.8510 96 R 3.9500 7.9070 117.3370 59.2067 30.1888 178.5849 97 A 4.1918 7.5789 120.4453 54.7506 18.1059 180.2511 98 A 3.8924 7.0555 116.9913 52.3966 18.5159 178.6941 *100 I 4.1628 7.7551 123.3949 63.1803 39.2626 177.9653 101 N 4.2597 8.2802 116.5618 54.6952 38.8393 176.1809 *103 V 3.9722 7.7718 117.6079 62.3908 33.3269 176.2569 104 F 4.0866 8.9147 121.4270 61.3655 39.1526 175.5730 105 Q 4.2986 8.1827 118.0510 56.9111 29.1478 175.4509 *107 G 3.7067 7.6858 105.3524 45.4777 0.0000 173.3867 108 E 3.9239 8.9225 121.5127 59.7669 29.6738 179.4311 109 T 4.0793 7.9117 115.0560 66.4585 68.6476 176.2566 110 G 3.8656 8.1434 106.9248 48.3944 0.0000 175.5400 111 V 3.6203 8.4272 120.9425 64.8078 31.2531 177.7132 112 A 4.2531 7.8912 119.7601 54.3999 18.2965 178.9086 113 G 3.7327 8.1044 102.5726 45.7043 0.0000 173.7290 114 F 4.5520 8.1715 120.9042 57.1256 39.6329 178.3521 115 T 4.0204 8.1853 118.8968 67.0678 68.6901 175.9296 116 N 4.4919 8.1493 116.7144 56.5601 38.6258 178.1933 117 S 4.2220 7.3906 111.2830 58.6389 62.1769 175.1116 *119 R 3.9238 7.7977 120.6735 56.2847 29.7503 174.7186 *122 Q 4.1275 7.9304 122.4044 55.5768 29.9932 176.2536 123 Q 4.1745 8.1799 114.8278 55.3213 28.7933 176.1280 124 K 2.0000 6.5636 116.0047 57.0919 30.0959 177.2410 125 R 4.1229 6.2363 116.3882 54.2485 28.8723 177.1648 126 W 4.6484 7.7207 122.2975 60.1846 29.6798 177.5352 127 D 4.5037 8.2120 117.9909 57.2986 40.2062 178.6903 128 E 3.9850 8.1380 118.6345 59.2597 29.6155 178.7918 129 A 3.9579 8.2973 120.7981 55.1743 18.1465 179.5801 130 A 4.0147 7.7785 118.5189 55.2777 18.6230 179.7642 131 V 3.6323 7.7512 116.4195 65.9883 31.4974 177.7536 132 N 4.2975 8.4206 117.0542 56.8059 38.5953 176.8516 133 L 4.3562 8.5462 119.3115 57.7730 41.7804 179.0615 134 A 3.6371 7.4925 119.8671 53.4495 19.5655 178.4087 135 K 4.3184 7.4150 118.9340 54.4929 30.8446 176.7695 136 S 4.7473 7.5258 115.0167 55.8281 67.6112 175.1927 137 R 4.0010 8.8592 123.5622 59.3482 29.7991 178.3400 138 W 4.5525 8.6704 127.8435 61.1434 30.4900 177.2020 139 Y 3.6088 8.5405 119.0550 60.6815 38.0371 177.5889 140 N 4.3248 8.3175 116.4409 55.9580 38.6392 176.9146 141 Q 4.3253 8.6005 119.2739 56.9747 30.8145 176.3999 142 T 4.5440 7.6126 109.7241 58.5183 68.5862 172.4245 143 P 3.7843 0.0000 0.0000 66.0523 31.7631 178.4126 144 N 4.1416 7.8200 116.0186 55.6893 38.4674 177.1138 145 R 3.8027 7.8172 119.2660 59.3704 30.2840 177.9349 146 A 3.1348 7.6178 120.4560 54.9136 18.1563 179.5158 147 K 3.8639 7.9644 116.9259 59.8759 32.2690 179.6510 148 R 3.7822 7.9723 118.0183 59.1587 29.9475 179.1662 149 V 3.7459 8.0974 118.0385 66.3364 31.5008 178.1543 150 I 4.1546 8.5346 119.7576 64.9060 36.8873 178.6117 151 T 3.7883 8.1277 116.6174 66.8184 68.1941 176.8170 152 T 3.7542 7.8185 117.4944 66.7834 68.2620 176.7205 153 F 4.1659 7.9743 118.3703 60.3974 39.0205 177.5008 154 R 4.1703 8.7840 118.7867 59.1658 29.9826 177.8506 155 T 4.2675 8.3636 108.4662 61.0289 69.6884 175.9077 156 G 3.5320 8.2678 108.5257 45.6097 0.0000 172.7097 157 T 4.4552 7.2836 108.0637 59.3579 71.6683 173.4027 158 W 4.9674 8.3827 119.4001 56.9947 29.5929 178.2598 159 D 4.4197 8.3935 122.1438 57.6649 40.2676 178.8408 160 A 4.1476 8.1707 119.4552 54.1404 18.4263 177.1263 161 Y 4.5302 8.2906 111.9541 57.5719 39.5555 176.0995 162 K 4.2312 7.9129 124.0786 56.4959 32.2581 176.3304 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 N 8.28 4.50 0.00 3.00 3.01 0.00 0.00 5.76 6.80 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 3 I 8.33 3.50 1.85 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 1.20 0.33 0.63 0.00 0.00 4 F 9.64 4.34 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 5 E 7.99 4.24 0.00 2.05 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 2.29 2.40 0.00 *7 L 7.99 4.19 0.00 1.89 1.48 0.32 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.01 3.66 0.00 1.91 2.11 0.00 2.97 0.00 0.00 3.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 9 I 7.48 3.72 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 1.05 0.00 0.00 10 D 8.19 4.56 0.00 2.72 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 11 E 8.52 4.22 0.00 1.91 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 2.34 2.40 0.00 12 G 8.29 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 13 L 7.95 4.94 0.00 1.47 1.46 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.78 4.69 0.00 1.80 1.68 0.00 2.75 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.97 0.00 15 L 8.74 4.64 0.00 1.62 1.88 0.94 0.77 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 16 K 7.83 5.17 0.00 1.74 1.70 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.24 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.58 7.81 17 I 8.07 4.17 1.91 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 1.30 0.85 0.99 0.00 0.00 18 Y 8.90 4.99 0.00 3.08 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 19 K 8.65 4.78 0.00 1.63 1.64 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.51 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.89 1.27 7.81 20 D 9.02 4.87 0.00 2.94 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 21 T 8.46 4.01 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 1.23 0.00 0.00 22 E 8.25 4.01 0.00 1.59 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 23 G 7.81 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.76 0.00 2.96 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 25 Y 7.88 4.59 0.00 3.08 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 26 T 8.81 5.07 3.25 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 1.24 0.00 0.00 27 I 8.77 4.69 1.91 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 1.26 1.47 0.98 0.00 0.00 28 G 9.54 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 0.00 0.00 0.00 29 I 7.92 4.95 1.46 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.59 0.12 0.00 0.00 30 G 8.40 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 31 H 8.26 4.34 0.00 3.39 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.13 4.40 0.00 1.56 1.43 1.01 0.86 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 33 L 8.99 4.26 0.00 1.80 1.71 0.98 1.01 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 34 T 7.25 4.30 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 1.32 0.00 0.00 35 K 8.47 3.72 0.00 1.55 1.39 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.45 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.99 7.81 36 S 8.52 4.56 0.00 3.98 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 37 P 0.00 4.48 0.00 2.28 2.29 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 38 S 7.99 4.40 0.00 3.96 3.78 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 0.00 0.00 0.00 39 L 8.50 3.11 0.00 1.71 1.56 0.42 0.66 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 40 N 7.99 4.24 0.00 2.74 2.81 0.00 0.00 7.04 7.91 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 41 A 7.95 3.93 1.35 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 42 A 7.73 3.86 0.98 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 0.00 0.00 43 K 8.00 3.99 0.00 1.89 1.82 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.47 7.81 44 S 8.39 4.05 0.00 3.84 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 45 E 8.43 3.96 0.00 2.13 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 2.48 2.62 0.00 46 L 8.44 3.96 0.00 1.73 1.82 0.93 1.25 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 47 D 8.23 4.68 0.00 2.71 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 48 K 7.91 3.91 0.00 1.87 2.09 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 49 A 7.87 4.17 1.35 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 50 I 7.72 4.01 1.87 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 1.60 0.86 0.93 0.00 0.00 51 G 10.07 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 52 R 7.37 4.29 0.00 1.95 2.01 0.00 2.96 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 53 N 8.57 4.82 0.00 2.68 2.81 0.00 0.00 6.91 7.70 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 54 T 9.44 4.13 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 1.32 0.00 0.00 55 N 9.03 3.95 0.00 2.84 2.91 0.00 0.00 7.06 7.98 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 56 G 8.52 3.98 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 0.00 0.00 0.00 57 V 7.44 5.03 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 0.90 0.00 0.00 1.01 0.00 0.00 58 I 8.55 4.94 2.04 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 1.46 0.88 0.93 0.00 0.00 59 T 9.42 4.39 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 1.25 0.00 0.00 60 K 8.69 3.92 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.52 1.55 7.81 61 D 8.17 4.41 0.00 2.77 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 62 E 8.37 3.97 0.00 2.24 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 2.35 2.35 0.00 63 A 8.15 4.07 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 64 E 8.50 4.17 0.00 2.30 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 2.46 2.45 0.00 65 K 8.22 3.96 0.00 1.98 1.97 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 66 L 8.31 4.02 0.00 1.93 1.67 0.85 0.77 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 67 F 8.56 4.71 0.00 3.17 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 68 N 8.61 4.45 0.00 2.94 2.90 0.00 0.00 7.05 8.61 0.00 0.00 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 8.04 4.05 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 70 D 8.80 4.41 0.00 3.11 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 71 V 8.32 3.67 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 0.29 0.00 0.00 0.15 0.00 0.00 72 D 8.26 4.29 0.00 2.96 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 73 A 8.43 3.97 1.35 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 74 A 8.06 3.87 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 75 V 7.79 3.36 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 0.78 0.00 0.00 0.97 0.00 0.00 76 R 7.95 4.10 0.00 2.05 1.93 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 77 G 8.35 3.62 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 0.00 0.00 0.00 78 I 7.59 3.76 1.63 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.48 0.46 0.00 0.00 79 L 7.94 3.99 0.00 1.50 1.70 0.89 0.84 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 80 R 7.82 4.21 0.00 2.02 1.96 0.00 3.13 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 81 N 7.52 4.53 0.00 2.98 2.70 0.00 0.00 7.15 8.13 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 82 A 8.72 4.15 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 83 K 8.39 4.40 0.00 1.70 1.84 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.41 7.81 *85 K 8.19 4.43 0.00 2.07 1.86 0.00 1.94 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.53 7.81 86 P 0.00 4.43 0.00 2.22 2.11 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 87 V 7.71 3.61 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 0.90 0.00 0.00 0.99 0.00 0.00 88 Y 8.05 4.24 0.00 3.02 3.23 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 0.00 89 D 8.80 4.58 0.00 2.90 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 90 S 7.45 4.41 0.00 4.08 4.11 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 *92 D 7.60 4.31 0.00 2.85 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 93 A 8.29 3.87 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 94 V 7.48 3.01 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 -0.14 0.00 0.00 0.55 0.00 0.00 95 R 7.68 3.58 0.00 1.67 2.01 0.00 2.47 0.00 0.00 2.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.39 0.00 96 R 7.91 3.95 0.00 1.76 1.77 0.00 2.89 0.00 0.00 2.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.60 0.00 97 A 7.58 4.19 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 98 A 7.06 3.89 0.08 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 *100 I 7.76 4.16 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.09 0.90 0.00 0.00 101 N 8.28 4.26 0.00 2.81 2.98 0.00 0.00 6.84 7.47 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 *103 V 7.77 3.97 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 0.79 0.00 0.00 0.90 0.00 0.00 104 F 8.91 4.09 0.00 3.15 3.29 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 0.00 105 Q 8.18 4.30 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.25 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 *107 G 7.69 3.71 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 0.00 0.00 0.00 108 E 8.92 3.92 0.00 1.94 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 2.27 2.39 0.00 109 T 7.91 4.08 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 0.00 110 G 8.14 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 0.00 111 V 8.43 3.62 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 0.85 0.00 0.00 0.84 0.00 0.00 112 A 7.89 4.25 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 0.00 113 G 8.10 3.73 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 0.00 0.00 0.00 114 F 8.17 4.55 0.00 3.10 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 0.00 115 T 8.19 4.02 4.22 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 1.20 0.00 0.00 116 N 8.15 4.49 0.00 2.68 2.85 0.00 0.00 6.91 7.57 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 0.00 117 S 7.39 4.22 0.00 3.99 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 *119 R 7.80 3.92 0.00 2.07 1.89 0.00 3.18 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 *122 Q 7.93 4.13 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 123 Q 8.18 4.17 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 5.98 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 124 K 6.56 2.00 0.00 1.44 1.46 0.00 1.77 0.00 0.00 2.05 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.07 1.23 7.81 125 R 6.24 4.12 0.00 1.65 1.83 0.00 2.98 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 126 W 7.72 4.65 0.00 3.39 3.23 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 0.00 127 D 8.21 4.50 0.00 2.81 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 0.00 128 E 8.14 3.98 0.00 2.12 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 2.38 2.36 0.00 129 A 8.30 3.96 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 0.00 130 A 7.78 4.01 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 0.00 131 V 7.75 3.63 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 0.96 0.00 0.00 1.01 0.00 0.00 132 N 8.42 4.30 0.00 2.79 2.95 0.00 0.00 7.23 6.99 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 0.00 133 L 8.55 4.36 0.00 1.97 2.17 0.90 1.16 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 0.00 134 A 7.49 3.64 0.63 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 0.00 0.00 135 K 7.42 4.32 0.00 1.71 1.78 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.49 7.81 136 S 7.53 4.75 0.00 4.38 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 0.00 137 R 8.86 4.00 0.00 1.99 2.13 0.00 3.29 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 138 W 8.67 4.55 0.00 3.59 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 0.00 139 Y 8.54 3.61 0.00 3.01 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 0.00 140 N 8.32 4.32 0.00 2.93 2.91 0.00 0.00 7.07 6.97 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 0.00 141 Q 8.60 4.33 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.20 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 142 T 7.61 4.54 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 1.26 0.00 0.00 143 P 0.00 3.78 0.00 1.94 1.74 0.00 3.74 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 144 N 7.82 4.14 0.00 2.66 2.80 0.00 0.00 6.73 7.66 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 0.00 145 R 7.82 3.80 0.00 1.89 1.92 0.00 3.34 0.00 0.00 3.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 146 A 7.62 3.13 0.37 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 0.00 147 K 7.96 3.86 0.00 1.95 1.85 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.56 1.57 7.81 148 R 7.97 3.78 0.00 1.81 1.29 0.00 2.21 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.61 0.00 149 V 8.10 3.75 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 1.31 0.00 0.00 1.30 0.00 0.00 150 I 8.53 4.15 2.19 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.21 1.05 0.00 0.00 151 T 8.13 3.79 4.44 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 1.23 0.00 0.00 152 T 7.82 3.75 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 0.78 0.00 0.00 153 F 7.97 4.17 0.00 3.33 2.99 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 0.00 154 R 8.78 4.17 0.00 2.00 2.01 0.00 3.59 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 155 T 8.36 4.27 4.18 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 1.24 0.00 0.00 156 G 8.27 3.53 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 0.00 0.00 0.00 157 T 7.28 4.46 4.22 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 1.20 0.00 0.00 158 W 8.38 4.97 0.00 3.44 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 0.00 159 D 8.39 4.42 0.00 2.79 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 0.00 160 A 8.17 4.15 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 0.00 161 Y 8.29 4.53 0.00 3.23 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 0.00 162 K 7.91 4.23 0.00 1.86 1.75 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.63 7.81 * Residues marked with a * may have inaccurate shift predictions.