NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5541 8.1633 120.2793 55.2279 33.8940 174.5310 2 D 4.8175 8.7111 122.7303 52.2090 42.1827 170.6736 3 V 4.4837 9.3287 122.0162 59.8324 35.6079 174.0415 4 F 4.9404 8.8993 120.9157 55.8622 41.6528 174.5727 5 L 5.1675 9.2248 123.6209 53.2203 45.6784 175.5791 6 M 4.4304 8.7082 120.0218 53.6323 34.0623 172.9759 7 I 4.4202 8.9250 126.4412 60.6833 38.7637 175.0947 8 R 5.0472 9.4641 127.2696 54.4407 33.8319 175.0294 9 R 4.4043 9.1188 122.5783 57.0755 33.6043 174.5890 10 H 3.7669 10.2989 118.6306 58.0676 25.9627 174.0023 11 K 3.8720 8.1543 115.9283 57.1708 30.7341 174.6885 12 T 4.7575 7.7477 115.7598 62.2624 71.2786 173.8332 13 T 4.7830 8.3132 118.8072 61.4905 70.4291 172.3592 14 I 4.4866 8.9349 130.8124 59.8129 39.4880 174.6484 15 F 5.1427 8.8776 125.6676 56.3851 40.3468 174.8744 16 T 4.8336 8.7096 117.7971 61.1059 71.5508 171.2691 17 D 5.4552 8.2843 122.5670 50.4139 43.0577 173.9206 18 A 4.2622 7.3967 118.1132 51.3010 22.3806 175.6735 19 K 4.5156 7.9956 118.3068 55.8689 33.2191 178.5913 20 E 3.9482 9.3839 124.6406 58.9462 29.7313 178.6034 21 S 4.4479 7.8777 110.8923 58.6593 63.9932 174.3185 22 S 4.3605 7.9800 117.2518 58.6939 63.0861 172.8215 23 T 5.0474 9.5148 115.8755 59.7030 71.0580 175.6901 24 V 3.5848 8.7646 122.9882 66.4362 31.4743 178.3520 25 F 4.0659 8.2960 120.1853 61.3447 39.3085 177.0424 26 E 3.8816 8.1571 117.7680 58.9776 29.1693 179.1293 27 L 3.8842 7.6107 120.3224 57.9406 42.2541 178.8893 28 K 4.1753 7.5192 119.2994 58.6407 31.8250 179.5706 29 R 3.7004 7.2927 117.9982 59.3695 29.9017 178.9941 30 I 3.6614 7.5042 119.4016 64.4762 37.0305 178.6957 31 V 3.5940 7.8403 119.0221 65.7601 31.3149 177.6519 32 E 4.4019 7.7081 120.6254 58.7974 29.2786 178.9877 33 G 3.6691 7.7895 104.3824 48.0646 0.0000 175.2988 34 I 4.0278 7.3113 121.1366 63.5234 37.4245 176.8501 35 L 4.4139 8.3664 117.9170 53.8425 41.8185 177.7939 36 K 4.2747 7.8780 114.4014 55.5167 28.9330 173.1632 37 R 4.3457 7.3020 116.8762 54.1138 34.4808 173.3064 38 P 5.1981 0.0000 0.0000 61.4187 32.3602 175.3527 39 P 4.2083 0.0000 0.0000 65.9248 31.3179 178.3475 40 D 4.5315 8.1734 115.2831 55.5712 39.0740 176.5298 41 E 4.4969 8.5418 119.3912 56.2228 29.9950 175.0840 42 Q 5.2127 8.1649 117.8252 54.3931 32.4011 174.5984 43 R 4.7283 8.9721 119.5938 54.4452 33.9049 174.3302 44 L 5.2768 8.3701 122.7187 53.3549 44.6068 175.2489 45 Y 5.0825 9.0115 120.5233 56.3264 41.8120 175.1095 46 K 4.5698 8.5786 120.5547 55.1126 33.7146 175.2661 47 D 4.5872 8.9836 129.5513 55.2978 37.8229 173.8595 48 D 4.5271 8.2900 111.0538 55.2692 38.6220 174.5055 49 Q 4.4354 7.7069 120.4215 53.6411 30.2324 174.0896 50 L 3.7280 8.4691 127.8179 55.3063 42.6171 175.9843 51 L 4.7364 7.9827 125.6330 53.2822 43.9402 175.7702 52 D 4.6832 8.4474 122.1338 53.5033 41.9990 177.5029 53 D 4.5827 9.1249 123.0426 57.1556 41.1019 178.5037 54 G 3.8389 7.9391 105.9528 46.5212 0.0000 174.1712 55 K 4.4129 7.9847 120.9681 56.2239 32.9786 176.8614 56 T 4.6708 9.8318 114.6549 61.3399 71.1173 176.1031 57 L 4.3252 8.8566 123.1804 57.8721 41.6518 179.9226 58 G 3.8647 8.8375 106.1702 47.6158 0.0000 175.4133 59 E 4.0446 8.0564 120.1951 59.0214 29.6076 178.7701 60 C 4.3882 7.8867 113.3258 60.4281 28.1714 174.5015 61 G 3.6262 7.9798 109.5214 44.9140 0.0000 173.8418 62 F 4.5409 8.1231 120.0388 56.3067 38.6215 174.9801 63 T 4.8780 8.0020 115.0134 59.2015 71.7118 175.2660 64 S 4.0692 8.3324 116.1017 61.4160 62.7553 175.7168 65 Q 4.5199 7.5353 116.9403 56.1848 28.6646 176.2749 66 T 4.5192 7.7715 113.1035 63.2588 71.6628 174.1345 67 A 4.9028 8.7950 125.3684 50.3623 18.4635 175.0163 68 R 4.8974 7.6965 120.9543 53.5190 32.3764 176.0429 69 P 3.8522 0.0000 0.0000 65.9451 31.1822 178.1224 70 Q 4.1118 7.8708 113.5052 57.9595 29.1751 176.9722 71 A 4.7981 7.8208 120.4157 50.1438 20.3239 173.9171 72 P 4.8447 0.0000 0.0000 62.2326 32.7175 177.6047 73 A 4.4798 9.0743 123.5541 52.2803 20.0767 176.3831 74 T 4.8789 8.4976 116.6748 62.0850 70.4351 174.4154 75 V 4.5780 8.4013 125.8518 60.8578 34.3137 175.1705 76 G 3.9429 8.8535 115.3140 46.2000 0.0000 172.0980 77 L 5.4229 8.2868 122.6957 53.0545 45.6417 175.6297 78 A 4.6695 8.6436 125.4470 50.8339 22.8275 175.7104 79 F 5.8099 8.8498 124.0157 57.1702 42.6218 171.8432 80 R 4.1805 8.9375 124.4146 56.0154 29.8194 173.6757 81 A 4.4316 8.5385 125.7953 52.2281 17.8559 177.7303 82 D 4.5985 8.8131 115.2611 55.3151 40.7311 173.2636 83 D 4.6914 7.8649 120.8543 54.6305 39.3909 183.2810 84 T 3.3993 7.8558 115.3424 62.0661 65.3533 173.3731 *85 F 4.7861 7.8770 126.3695 56.3976 39.1050 174.9838 86 E 4.3218 8.5134 120.4700 55.7301 30.3274 176.4661 87 A 4.3127 8.3785 122.1978 51.0456 19.7074 177.3170 88 L 3.6763 8.2553 122.7978 55.3594 42.5315 175.9682 89 C 4.6638 8.5132 125.6239 57.6676 34.7807 172.2515 90 I 4.6325 8.1779 126.8421 59.1992 39.0949 175.2504 91 E 4.1458 8.6908 128.0130 55.2904 29.7314 175.6460 92 P 4.1541 0.0000 0.0000 62.2894 32.2441 175.7785 93 F 4.8836 7.9981 117.7704 56.3254 39.8037 175.6472 94 S 4.3599 8.6119 117.2936 58.9245 63.1322 173.4875 95 S 4.8009 8.2044 116.4240 55.6758 64.4746 172.9769 96 P 4.5761 0.0000 0.0000 61.9953 32.6622 176.7150 97 P 4.7733 0.0000 0.0000 60.8215 30.5177 175.9955 98 E 4.0532 8.9481 117.9959 56.4737 30.4254 173.4634 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 1 M 8.16 4.55 0.00 1.99 2.18 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 2.62 2.56 0.00 2 D 8.71 4.82 0.00 2.58 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 0.00 0.00 0.00 0.00 3 V 9.33 4.48 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 0.64 0.00 0.00 1.08 0.00 0.00 4 F 8.90 4.94 0.00 3.24 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 5 L 9.22 5.17 0.00 1.38 1.34 0.58 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.71 4.43 0.00 1.88 1.66 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.22 0.00 7 I 8.93 4.42 1.77 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 1.09 0.22 0.81 0.00 0.00 8 R 9.46 5.05 0.00 1.49 1.65 0.00 3.07 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 9 R 9.12 4.40 0.00 1.73 1.53 0.00 2.88 0.00 0.00 2.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 10 H 10.30 3.77 0.00 3.25 3.25 0.00 6.01 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.15 3.87 0.00 1.88 1.92 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.44 7.81 12 T 7.75 4.76 4.40 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 1.23 0.00 0.00 13 T 8.31 4.78 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 1.43 0.00 0.00 14 I 8.93 4.49 1.82 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 1.26 0.53 0.92 0.00 0.00 15 F 8.88 5.14 0.00 2.91 3.05 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 16 T 8.71 4.83 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 1.15 0.00 0.00 17 D 8.28 5.46 0.00 2.10 2.35 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 18 A 7.40 4.26 1.10 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 0.00 0.00 19 K 8.00 4.52 0.00 1.67 1.71 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.36 7.81 20 E 9.38 3.95 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 2.34 2.53 0.00 21 S 7.88 4.45 0.00 4.02 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 22 S 7.98 4.36 0.00 3.82 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 23 T 9.51 5.05 4.48 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 1.25 0.00 0.00 24 V 8.76 3.58 2.29 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 1.00 0.00 0.00 1.08 0.00 0.00 25 F 8.30 4.07 0.00 3.35 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 26 E 8.16 3.88 0.00 2.19 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 2.45 2.44 0.00 27 L 7.61 3.88 0.00 1.73 1.60 0.72 0.47 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 28 K 7.52 4.18 0.00 1.65 1.65 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.41 7.81 29 R 7.29 3.70 0.00 1.88 1.85 0.00 3.23 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.68 0.00 30 I 7.50 3.66 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.88 0.00 0.00 31 V 7.84 3.59 2.38 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 1.13 0.00 0.00 0.95 0.00 0.00 32 E 7.71 4.40 0.00 2.20 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 0.00 2.29 2.17 0.00 33 G 7.79 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 0.00 0.00 0.00 34 I 7.31 4.03 2.00 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 1.54 0.71 0.94 0.00 0.00 35 L 8.37 4.41 0.00 1.83 1.92 1.04 1.06 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 36 K 7.88 4.27 0.00 1.79 1.75 0.00 1.83 0.00 0.00 2.61 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.33 7.81 37 R 7.30 4.35 0.00 1.72 1.52 0.00 2.62 0.00 0.00 2.99 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.00 38 P 0.00 5.20 0.00 2.17 1.97 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 39 P 0.00 4.21 0.00 2.32 1.87 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 40 D 8.17 4.53 0.00 2.82 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 41 E 8.54 4.50 0.00 2.13 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 2.27 2.22 0.00 42 Q 8.16 5.21 0.00 2.22 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 43 R 8.97 4.73 0.00 1.93 1.63 0.00 3.23 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 44 L 8.37 5.28 0.00 1.55 1.55 0.86 0.84 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 45 Y 9.01 5.08 0.00 2.88 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 46 K 8.58 4.57 0.00 1.95 1.65 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.66 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.29 1.38 7.81 47 D 8.98 4.59 0.00 2.88 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 48 D 8.29 4.53 0.00 2.85 2.85 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 49 Q 7.71 4.44 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 50 L 8.47 3.73 0.00 1.54 1.42 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.98 4.74 0.00 1.63 1.59 1.13 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.45 4.68 0.00 2.60 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 53 D 9.12 4.58 0.00 2.84 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 54 G 7.94 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 55 K 7.98 4.41 0.00 2.01 1.76 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.53 7.81 56 T 9.83 4.67 4.47 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 0.00 0.00 0.00 1.29 0.00 0.00 57 L 8.86 4.33 0.00 1.77 1.93 0.84 0.91 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 58 G 8.84 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 59 E 8.06 4.04 0.00 2.13 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 2.36 2.38 0.00 60 C 7.89 4.39 0.00 3.30 3.01 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 61 G 7.98 3.63 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 0.00 62 F 8.12 4.54 0.00 3.23 3.03 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 0.00 0.00 0.00 63 T 8.00 4.88 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 1.28 0.00 0.00 64 S 8.33 4.07 0.00 3.99 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 65 Q 7.54 4.52 0.00 1.89 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 66 T 7.77 4.52 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 1.25 0.00 0.00 67 A 8.80 4.90 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.70 4.90 0.00 1.91 1.85 0.00 3.19 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.71 0.00 69 P 0.00 3.85 0.00 1.69 1.57 0.00 3.43 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 70 Q 7.87 4.11 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 71 A 7.82 4.80 1.25 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 0.00 0.00 0.00 72 P 0.00 4.84 0.00 2.19 2.29 0.00 3.89 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 73 A 9.07 4.48 1.60 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 74 T 8.50 4.88 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 1.22 0.00 0.00 75 V 8.40 4.58 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 1.03 0.00 0.00 0.57 0.00 0.00 76 G 8.85 3.94 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 0.00 0.00 0.00 77 L 8.29 5.42 0.00 1.48 1.36 0.80 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.64 4.67 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 79 F 8.85 5.81 0.00 2.96 2.85 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 80 R 8.94 4.18 0.00 2.00 1.84 0.00 3.28 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 81 A 8.54 4.43 1.26 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 0.00 0.00 82 D 8.81 4.60 0.00 2.71 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 83 D 7.86 4.69 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.86 3.40 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 *85 F 7.88 4.79 0.00 2.06 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 0.00 0.00 0.00 86 E 8.51 4.32 0.00 1.98 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 2.61 2.31 0.00 87 A 8.38 4.31 1.22 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 88 L 8.26 3.68 0.00 0.72 1.16 0.64 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 89 C 8.51 4.66 0.00 2.91 2.61 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 90 I 8.18 4.63 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 0.72 0.00 0.00 91 E 8.69 4.15 0.00 1.88 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 2.24 2.23 0.00 92 P 0.00 4.15 0.00 2.12 1.97 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 93 F 8.00 4.88 0.00 3.11 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 94 S 8.61 4.36 0.00 4.01 3.96 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 95 S 8.20 4.80 0.00 3.87 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 96 P 0.00 4.58 0.00 2.18 2.07 0.00 3.79 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 2.00 1.98 0.00 97 P 0.00 4.77 0.00 2.20 1.55 0.00 3.89 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 98 E 8.95 4.05 0.00 2.10 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 2.18 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.