NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3934 8.1727 124.0550 55.0444 33.9489 173.8277 12 L 4.4105 8.5998 127.0001 52.1942 44.3944 174.6855 13 Q 4.6469 9.2142 125.1465 53.9490 30.2113 171.8836 14 F 5.0479 8.4923 124.1933 57.2866 41.2902 173.6894 15 A 5.1388 9.6212 127.5351 50.3553 22.5416 174.6754 16 L 5.8327 8.4997 120.5300 51.2313 44.6291 175.2560 17 P 4.4153 0.0000 0.0000 66.1288 31.5185 177.4610 18 H 4.4807 8.2097 114.7229 57.1705 29.6356 174.7215 19 E 4.5624 7.5511 120.2338 53.7111 31.9455 174.3821 20 T 4.3986 8.0034 116.3215 60.1438 68.5743 173.5754 21 L 3.9985 8.4333 129.4053 57.1876 41.8950 178.0538 22 Y 4.3375 7.7540 112.6290 56.4353 40.0036 176.3023 23 S 3.5865 8.2608 116.2473 60.0990 62.4843 171.9950 *26 E 4.1831 7.7428 112.9432 55.6487 31.0097 177.5552 27 V 4.4846 8.0044 121.6616 61.2022 34.6602 173.0999 28 T 4.2882 8.6118 118.0752 64.1172 69.7067 174.8732 29 Q 4.7996 7.7278 121.5120 54.2240 33.1786 173.3453 30 V 4.7970 8.5251 123.8794 61.3099 35.3536 173.5588 31 N 5.3945 9.1288 125.5909 51.8347 40.4167 174.0395 32 L 5.0808 8.7593 123.9615 52.1249 45.9967 174.3509 33 P 4.7339 0.0000 0.0000 61.5259 31.8444 174.1298 34 A 4.8271 7.9931 135.0000 50.6270 18.2748 178.4175 35 K 4.0237 8.6514 112.8018 61.3536 32.8162 177.0943 36 S 4.5999 7.7667 113.5794 59.2237 69.8073 175.2877 37 G 3.5506 7.9077 111.9616 45.1518 0.0000 172.5791 38 R 4.2682 8.5258 125.8881 56.4545 30.6245 176.1642 39 I 4.1770 8.5882 125.5630 59.5133 40.1643 174.9668 40 G 4.1398 8.4733 116.7758 44.3137 0.0000 172.1618 41 V 3.5877 8.4767 127.2288 62.6885 32.3579 175.9675 42 L 4.5586 8.4309 128.4070 53.4482 42.8262 177.6396 43 A 4.2067 8.3833 121.6532 54.4875 18.6750 177.0578 44 N 5.0244 7.5100 112.8080 52.5637 39.1262 174.1195 45 H 4.3374 8.0088 117.7818 55.6034 31.1376 174.5466 46 V 3.6691 7.8916 126.3351 61.9021 31.9570 173.7783 47 P 4.5172 0.0000 0.0000 63.9906 31.8819 175.6176 48 T 4.8004 8.6456 119.3052 61.9040 73.6622 172.9873 49 V 4.8824 8.5306 124.8013 61.9880 34.0145 175.1546 50 E 4.8198 9.3319 125.6707 54.6918 33.7244 171.3910 51 Q 3.4331 8.2648 122.0424 54.7367 30.5349 174.8711 52 L 5.0890 8.8949 127.0164 53.6061 43.2877 177.6819 53 L 4.5655 8.2417 126.0164 53.4205 42.4923 171.4826 54 P 4.3191 0.0000 0.0000 63.3996 32.0499 177.6917 55 G 3.6517 6.8031 111.1628 46.6279 0.0000 171.5199 56 V 4.8415 7.9792 118.3359 60.2442 33.1995 171.5299 57 V 4.5404 9.1207 125.4136 60.3955 34.0578 173.7598 58 E 5.1098 9.2351 131.8777 55.3517 31.5423 175.3853 59 V 4.4570 8.5750 126.7215 60.4552 34.0523 171.4932 60 M 4.8018 8.8315 124.3633 53.4215 34.4331 175.0732 61 E 4.3402 9.3742 125.9090 57.5846 31.1356 178.6941 62 G 3.8392 8.9004 115.7677 47.0773 0.0000 174.3849 63 S 4.6068 9.1486 114.8322 57.5470 63.1179 172.0444 64 N 4.4963 7.8877 118.5595 53.8149 39.2458 173.8153 65 S 4.9932 8.4980 122.9010 57.3846 65.7449 173.7587 66 K 4.3125 8.7622 132.0678 54.5178 32.4717 175.2253 67 K 4.8555 8.4204 129.2155 54.2203 33.3320 173.0548 68 F 4.8797 8.6565 118.2752 56.8923 43.9251 173.6796 69 F 4.9867 9.1678 126.3497 57.7953 41.1205 174.1070 70 I 5.1019 7.2603 126.0444 59.5171 40.3397 176.6797 71 S 4.0137 8.6737 121.4380 60.9722 63.6668 175.0472 72 G 3.9724 8.5599 106.4059 43.9767 0.0000 170.2075 73 G 4.6216 6.1553 109.1276 45.3733 0.0000 173.3916 74 F 5.0784 8.6743 123.0884 55.6246 43.6255 173.2025 75 A 5.4288 9.5079 125.0774 50.3677 21.9221 175.4772 76 T 5.0061 8.9147 111.3429 60.0218 72.4402 172.9400 77 V 4.5154 8.3574 125.2131 61.8981 33.5019 175.8552 78 Q 4.5075 9.1421 127.2605 53.9453 30.1799 174.9204 79 P 4.2282 0.0000 0.0000 66.1675 30.9523 177.6136 80 D 4.5537 8.1180 114.4734 53.3981 39.0393 177.4631 81 S 3.8422 7.9913 115.5318 60.0205 61.6675 172.4177 82 Q 4.4024 7.5133 120.9064 55.4621 29.3186 179.6359 83 L 4.9031 8.2459 125.1658 53.4665 44.2521 174.9224 84 C 5.2131 9.3927 124.1405 58.0796 30.9425 172.9035 85 V 4.7961 8.8222 124.9775 61.0483 34.0377 174.4344 86 T 5.7819 8.9808 116.6103 58.9867 71.9893 172.6893 87 A 5.7504 8.3611 124.8141 50.0676 22.8008 176.8436 88 I 3.8263 8.5981 120.0621 63.8465 38.0122 176.6081 89 E 4.8451 8.9425 120.7735 53.9689 33.0200 175.9771 90 A 5.6034 8.3412 126.6933 50.3659 18.7359 176.0184 *99 E 4.0734 7.7898 119.2445 55.4693 31.7976 177.7481 100 N 4.5872 9.1749 118.9098 52.9805 38.1423 177.3216 101 I 3.2778 7.3736 114.7913 59.9014 34.3765 176.5623 102 K 3.8147 8.8432 129.5527 57.6142 31.4212 175.3482 103 N 4.5740 8.1676 118.4383 54.5202 38.0891 178.1805 104 L 4.1044 7.0872 119.2073 56.6263 41.6549 182.7257 105 L 4.2280 8.7508 121.0555 54.6822 39.8768 177.1573 106 A 4.0571 7.6968 121.7124 55.7831 17.1057 179.6736 107 E 4.2046 8.1508 110.0337 57.3082 30.2423 179.1703 108 A 4.8747 7.3180 121.6325 53.1946 19.2615 178.6017 109 K 4.6854 7.8944 121.8779 57.4303 37.8353 180.9111 110 K 4.2451 7.9264 120.5591 58.3626 31.9587 183.3358 111 N 4.5472 7.6232 115.0819 54.6975 37.8880 178.1579 112 V 4.1119 7.4660 121.8791 61.6316 30.1338 175.7208 113 S 4.4694 8.2451 120.4699 60.3596 64.1333 176.2197 114 S 4.8187 7.8121 110.3328 57.9072 63.2431 176.6413 115 S 4.4407 8.6587 116.1459 57.6409 63.3944 175.6350 116 D 4.6236 8.6275 113.9440 53.1767 39.4418 175.9252 117 A 4.4381 8.0103 122.7821 52.0110 22.4900 178.5619 118 R 3.9518 8.3080 115.0856 57.2027 27.5600 182.9362 119 E 4.1933 7.8511 114.5141 59.7775 30.2629 183.4984 120 A 4.1663 7.9871 121.5927 54.0330 18.5322 178.6749 121 A 4.3086 7.8097 117.8726 53.8361 18.8072 177.7272 122 E 4.5655 8.0608 109.5922 57.1446 33.0800 177.7319 123 A 3.9093 8.1577 122.0230 54.5111 18.5082 178.6364 124 A 4.0087 8.0412 119.1621 54.2761 19.1464 178.7126 125 I 4.1079 8.0382 116.3420 61.6440 36.0840 184.4422 126 Q 4.2811 7.8949 123.4251 61.6981 27.7335 184.7456 127 V 4.1586 7.7884 121.0581 65.0308 31.9389 180.0446 128 E 4.4378 7.9010 117.8845 61.6792 29.8034 184.6226 129 V 4.5816 7.5310 116.8184 63.5684 33.7159 181.3465 130 L 4.1463 8.0541 118.5237 57.8349 41.8632 178.6619 131 E 4.4576 8.2162 115.0407 57.1488 30.3748 183.1275 132 N 4.8132 8.0928 120.2841 58.2659 38.0576 183.3667 133 L 4.3098 8.5922 125.6468 59.3211 40.9150 180.9948 134 Q 4.3632 7.6035 117.3759 58.5046 28.7370 178.6838 135 S 4.3547 7.6387 122.8748 63.5948 62.4048 180.5687 136 V 4.0808 7.3500 121.9845 61.2595 31.4468 179.7254 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 11 K 8.17 4.39 0.00 1.47 1.77 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 12 L 8.60 4.41 0.00 1.57 1.45 0.74 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 9.21 4.65 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 14 F 8.49 5.05 0.00 3.08 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 15 A 9.62 5.14 1.24 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 0.00 0.00 0.00 16 L 8.50 5.83 0.00 1.54 1.39 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.42 0.00 2.10 2.19 0.00 3.85 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 2.02 1.99 0.00 18 H 8.21 4.48 0.00 3.25 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.55 4.56 0.00 2.07 1.79 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 2.23 2.23 0.00 20 T 8.00 4.40 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 1.19 0.00 0.00 21 L 8.43 4.00 0.00 0.97 1.12 -0.48 0.73 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 22 Y 7.75 4.34 0.00 3.08 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 23 S 8.26 3.59 0.00 3.98 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 *26 E 7.74 4.18 0.00 2.05 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 2.13 1.88 0.00 27 V 8.00 4.48 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 0.83 0.00 0.00 0.82 0.00 0.00 28 T 8.61 4.29 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 29 Q 7.73 4.80 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 30 V 8.53 4.80 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 0.85 0.00 0.00 0.79 0.00 0.00 31 N 9.13 5.39 0.00 2.75 2.71 0.00 0.00 6.43 7.46 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 32 L 8.76 5.08 0.00 1.46 1.40 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.73 0.00 2.03 2.17 0.00 3.58 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 34 A 7.99 4.83 1.27 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 0.00 0.00 0.00 35 K 8.65 4.02 0.00 1.83 1.91 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.39 7.81 36 S 7.77 4.60 0.00 3.81 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 37 G 7.91 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.53 4.27 0.00 1.70 1.91 0.00 3.21 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 39 I 8.59 4.18 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.90 0.83 0.00 0.00 40 G 8.47 4.14 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 0.00 0.00 0.00 41 V 8.48 3.59 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 0.84 0.00 0.00 0.72 0.00 0.00 42 L 8.43 4.56 0.00 1.77 1.60 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.38 4.21 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 44 N 7.51 5.02 0.00 2.65 2.69 0.00 0.00 7.10 7.77 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 45 H 8.01 4.34 0.00 3.26 3.18 0.00 5.98 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.89 3.67 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 0.80 0.00 0.00 0.89 0.00 0.00 47 P 0.00 4.52 0.00 1.96 2.10 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.33 0.00 48 T 8.65 4.80 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 1.23 0.00 0.00 49 V 8.53 4.88 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 0.96 0.00 0.00 0.95 0.00 0.00 50 E 9.33 4.82 0.00 1.62 1.72 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 2.13 2.13 0.00 51 Q 8.26 3.43 0.00 1.63 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 1.52 1.89 0.00 52 L 8.89 5.09 0.00 1.53 1.45 0.76 0.51 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 53 L 8.24 4.57 0.00 1.43 1.49 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.32 0.00 1.93 2.02 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 55 G 6.80 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.98 4.84 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 0.74 0.00 0.00 0.93 0.00 0.00 57 V 9.12 4.54 2.36 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 0.83 0.00 0.00 0.84 0.00 0.00 58 E 9.24 5.11 0.00 2.15 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 2.25 2.28 0.00 59 V 8.57 4.46 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 0.68 0.00 0.00 0.93 0.00 0.00 60 M 8.83 4.80 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 61 E 9.37 4.34 0.00 2.02 1.82 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 2.45 2.40 0.00 62 G 8.90 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 63 S 9.15 4.61 0.00 3.83 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 64 N 7.89 4.50 0.00 2.79 2.72 0.00 0.00 6.88 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 65 S 8.50 4.99 0.00 3.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 4.31 0.00 1.41 1.71 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 1.26 7.81 67 K 8.42 4.86 0.00 1.54 1.62 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.35 1.04 7.81 68 F 8.66 4.88 0.00 3.15 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 69 F 9.17 4.99 0.00 3.22 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 70 I 7.26 5.10 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.10 0.86 0.00 0.00 71 S 8.67 4.01 0.00 3.89 4.04 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 0.00 0.00 0.00 72 G 8.56 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 73 G 6.16 4.62 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 74 F 8.67 5.08 0.00 2.98 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 75 A 9.51 5.43 1.11 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 0.00 0.00 76 T 8.91 5.01 4.33 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 1.25 0.00 0.00 77 V 8.36 4.52 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 1.04 0.00 0.00 0.95 0.00 0.00 78 Q 9.14 4.51 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.49 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 79 P 0.00 4.23 0.00 2.03 2.13 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 80 D 8.12 4.55 0.00 2.90 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 81 S 7.99 3.84 0.00 4.09 4.03 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 82 Q 7.51 4.40 0.00 1.79 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 83 L 8.25 4.90 0.00 1.67 1.47 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 84 C 9.39 5.21 0.00 2.82 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 85 V 8.82 4.80 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 0.28 0.00 0.00 0.60 0.00 0.00 86 T 8.98 5.78 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 1.23 0.00 0.00 87 A 8.36 5.75 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 88 I 8.60 3.83 1.92 0.00 0.00 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 1.38 0.61 0.97 0.00 0.00 89 E 8.94 4.85 0.00 1.88 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 0.00 2.29 2.43 0.00 90 A 8.34 5.60 1.23 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 0.00 0.00 *99 E 7.79 4.07 0.00 2.03 1.79 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 2.13 1.88 0.00 100 N 9.17 4.59 0.00 2.74 2.63 0.00 0.00 6.68 7.72 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 0.00 101 I 7.37 3.28 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 1.27 0.49 0.91 0.00 0.00 102 K 8.84 3.81 0.00 1.77 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.02 7.81 103 N 8.17 4.57 0.00 2.64 2.85 0.00 0.00 6.85 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 0.00 104 L 7.09 4.10 0.00 1.85 1.49 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.75 4.23 0.00 1.76 1.87 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.70 4.06 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 0.00 107 E 8.15 4.20 0.00 1.91 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 2.30 1.87 0.00 108 A 7.32 4.87 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 0.00 109 K 7.89 4.69 0.00 1.73 1.65 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.00 7.81 110 K 7.93 4.25 0.00 1.80 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.25 7.81 111 N 7.62 4.55 0.00 2.76 2.76 0.00 0.00 6.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.47 4.11 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 0.93 0.00 0.00 0.93 0.00 0.00 113 S 8.25 4.47 0.00 3.67 3.77 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 0.00 114 S 7.81 4.82 0.00 3.93 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 0.00 115 S 8.66 4.44 0.00 3.93 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 0.00 116 D 8.63 4.62 0.00 2.69 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 0.00 117 A 8.01 4.44 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 0.00 118 R 8.31 3.95 0.00 2.02 1.94 0.00 3.27 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 119 E 7.85 4.19 0.00 1.99 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 2.24 2.12 0.00 120 A 7.99 4.17 1.40 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 0.00 121 A 7.81 4.31 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 0.00 122 E 8.06 4.57 0.00 2.21 2.13 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 2.19 2.25 0.00 123 A 8.16 3.91 1.43 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 0.00 0.00 0.00 124 A 8.04 4.01 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 0.00 125 I 8.04 4.11 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 1.16 0.73 0.91 0.00 0.00 126 Q 7.89 4.28 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 127 V 7.79 4.16 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 0.94 0.00 0.00 0.93 0.00 0.00 128 E 7.90 4.44 0.00 2.15 1.90 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 2.26 2.19 0.00 129 V 7.53 4.58 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 0.80 0.00 0.00 0.93 0.00 0.00 130 L 8.05 4.15 0.00 1.72 1.75 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.22 4.46 0.00 1.98 1.84 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 2.18 1.86 0.00 132 N 8.09 4.81 0.00 2.72 2.84 0.00 0.00 7.01 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 0.00 133 L 8.59 4.31 0.00 1.61 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.60 4.36 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.99 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 135 S 7.64 4.35 0.00 3.73 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 0.00 136 V 7.35 4.08 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.