NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 L 4.2954 8.1849 120.6304 54.6607 43.2007 175.7346 30 D 4.9233 8.3595 120.9715 51.3035 43.8267 174.4370 31 K 4.1823 8.6518 120.7993 58.4010 33.3644 176.0139 32 G 4.1611 8.9983 111.9801 45.8184 0.0000 174.0710 33 D 4.5822 8.2340 119.0204 53.8018 42.2486 175.8735 34 K 4.5498 8.4272 122.4553 55.8708 33.0292 176.3801 35 A 3.8619 8.5141 130.2120 51.1381 18.7749 175.6746 36 P 4.0886 0.0000 0.0000 63.0218 31.9647 175.8566 37 D 4.6972 8.4168 122.2277 54.1841 42.5637 174.6508 38 F 5.0565 7.6000 115.2283 55.9587 41.5756 173.0604 39 A 5.1982 8.8348 120.4960 50.5322 20.6901 175.1430 40 L 5.0260 9.1627 121.3652 52.7283 45.5607 174.8262 41 P 4.7720 0.0000 0.0000 63.2453 32.7520 175.9296 42 G 4.9334 9.3849 112.3391 43.8353 0.0000 172.4086 43 K 4.3504 8.9530 117.2086 58.9357 33.4708 178.0249 44 T 4.4354 8.0468 108.6702 63.0690 70.9459 174.2552 45 G 3.9750 7.2331 114.8552 44.8208 0.0000 175.3640 46 V 4.7121 8.6805 122.7646 60.7522 33.7247 173.3177 47 V 4.5028 9.1619 126.1287 61.0608 34.3538 174.2669 48 K 5.4812 8.3875 126.3658 53.1580 34.9692 176.9335 49 L 3.6045 7.7868 126.3630 58.1459 41.9279 179.1756 50 S 4.0171 8.3692 114.3758 61.6558 62.5071 176.1146 51 D 4.4834 7.7812 120.3272 55.9011 40.8316 177.5751 52 K 4.3567 7.8541 118.8563 55.1257 32.4821 176.2876 53 T 4.0432 7.1470 110.9907 63.0789 69.0749 173.4787 54 G 4.1424 8.5991 113.0179 45.2341 0.0000 173.9034 55 S 4.9989 7.3904 114.0725 56.2598 65.5952 174.7275 56 V 3.9534 8.4419 123.5372 63.0803 32.6131 174.8746 57 V 4.6957 9.2766 127.8620 61.2422 34.5881 173.6260 58 Y 4.8034 8.6990 129.6915 56.0425 39.9715 173.4449 59 L 4.7274 8.8175 130.1906 53.7937 43.9215 174.6497 60 D 5.0160 8.8934 125.8793 52.3094 44.3054 174.2844 61 F 5.2863 9.0843 124.1854 55.6020 41.3603 174.6411 62 W 5.1932 8.9560 120.1956 55.0797 32.5186 173.5884 63 A 4.2940 7.9568 119.2579 50.2315 21.2446 177.8232 64 S 3.4741 9.2995 116.0527 60.4044 63.1170 175.6446 65 W 4.4045 7.3771 116.0704 57.2759 28.7924 175.6673 66 C 4.3225 7.2568 121.2323 58.2328 30.5764 173.6789 67 G 3.9463 9.1301 115.2436 47.9102 0.0000 172.1698 68 P 4.5618 0.0000 0.0000 65.4832 31.1622 178.3867 69 C 4.5157 8.1347 116.8006 62.0379 27.7228 175.8983 70 R 4.0732 8.1370 119.7188 58.8012 29.4617 177.7719 71 Q 4.4359 8.2172 118.0093 58.1602 29.1059 178.1263 72 S 3.0723 7.9264 114.8093 60.7753 62.7257 176.5281 73 F 3.9436 8.0041 120.9779 60.0800 39.0394 174.7489 74 P 4.4729 0.0000 0.0000 65.5540 31.2725 179.3737 75 W 4.1790 7.6243 124.8712 57.7374 30.0515 176.4200 *77 N 4.8819 8.2840 116.1930 53.0439 40.0203 176.7915 78 Q 3.7170 7.7299 115.0366 57.0354 28.7989 177.2230 *80 Q 4.4381 8.2224 118.8506 55.8062 30.6575 177.1631 81 A 4.0142 7.7928 119.3300 54.8203 18.6153 178.6668 82 K 3.7915 7.9518 116.5437 58.6925 32.5487 177.1108 83 Y 4.8213 7.4775 113.5913 57.2423 39.0982 177.3006 84 K 4.3956 8.5793 121.3224 59.3214 32.7814 179.2355 85 A 4.0640 8.0363 121.2042 54.4424 18.4012 177.8398 86 K 4.2979 7.9564 113.5102 56.2513 32.9135 176.3325 87 G 3.6732 8.6551 107.5209 45.5334 0.0000 172.6509 88 F 5.4185 7.6329 120.6150 56.8385 43.8126 173.8866 89 Q 4.4729 8.0889 123.4602 54.0440 33.3727 173.9720 90 V 4.2348 8.7082 123.8829 61.3602 33.6884 174.6699 91 V 4.4371 8.7539 127.4397 61.1598 34.3417 174.0714 92 A 4.9213 9.1208 131.7160 50.1891 20.8277 175.5057 93 V 4.0590 8.5931 123.7346 62.9469 32.5008 174.8803 94 N 3.6935 9.2322 128.7591 52.4223 40.1573 174.9627 95 L 4.9231 7.9704 124.3463 54.4727 43.2096 176.5686 96 D 4.4619 8.5579 120.0175 53.9322 41.3428 177.4516 97 A 4.1007 8.8168 125.9114 54.3789 18.7791 178.1271 98 K 4.6063 7.7561 115.0686 54.4206 34.8417 177.3007 99 T 3.8561 8.6053 114.3875 64.4147 68.9813 176.5076 100 G 3.6843 8.1353 110.3770 48.6622 0.0000 174.3143 101 D 4.4861 8.1932 119.9051 57.0858 41.1379 179.1979 102 A 4.1513 7.6787 122.0724 52.1589 17.7875 179.6344 *104 K 4.2678 8.2722 120.4167 58.1636 34.4189 178.3134 105 F 4.0944 8.3279 120.1979 61.5513 39.0861 177.2704 106 L 4.4870 8.9044 118.2481 56.8865 41.4557 179.0117 107 A 4.1340 7.6839 120.0482 54.4131 18.3293 178.7263 108 Q 4.3084 7.7386 114.8319 55.3703 29.5497 175.8709 109 V 4.0758 7.2485 120.6998 59.7552 32.9407 173.0790 110 P 4.2824 0.0000 0.0000 62.7183 31.6143 176.2903 111 A 3.8302 7.9754 124.6346 50.3466 19.7184 175.7240 112 E 4.2875 7.6222 126.6909 55.9295 29.8361 175.6598 113 F 4.8982 6.4331 111.6718 55.7341 41.7075 174.5015 114 T 4.0698 8.3569 115.5322 63.8960 69.1200 173.8949 115 V 4.9944 8.5085 125.3994 61.0043 34.1729 174.2850 116 A 4.8539 8.7551 128.4269 50.0025 22.6495 174.6932 117 F 4.8860 8.7815 118.2126 55.2650 41.3605 175.9820 118 D 4.9329 8.6508 124.1140 51.3761 40.7811 174.1624 119 P 4.4609 0.0000 0.0000 64.8835 31.6572 178.5441 120 K 4.0821 8.0894 116.1344 56.5136 32.4192 176.6296 121 G 3.9167 8.0800 107.1534 47.0800 0.0000 176.1948 122 Q 4.1508 8.4848 120.2310 58.7035 29.1265 177.8366 123 T 4.0215 8.8187 111.4561 64.3331 68.8034 174.6534 124 P 3.5337 0.0000 0.0000 65.3437 30.9745 178.6548 125 R 3.9076 7.8337 117.3570 59.0918 29.9033 178.5388 126 L 4.0078 7.4203 116.6718 57.8953 41.7606 178.4231 127 Y 4.0683 8.1177 113.5565 57.0821 38.1921 175.5996 128 G 3.9162 8.1008 108.0245 46.2731 0.0000 174.4908 129 V 3.7353 8.1725 119.8680 62.8171 31.8519 175.6358 130 K 4.7058 8.5330 123.7332 55.8167 34.3084 176.5262 131 G 3.6901 7.4260 108.8635 44.3501 0.0000 170.0511 *133 P 4.4625 0.0000 0.0000 63.2870 33.6748 175.8661 134 T 5.2049 8.3913 114.1606 62.1088 72.8491 173.6884 135 S 5.1804 9.4453 120.2085 56.4908 66.9801 172.8401 136 F 5.2813 9.1842 119.3208 55.7097 43.0641 173.5902 137 L 5.1635 8.7622 125.0651 53.7021 43.8904 174.8886 138 I 5.1349 9.1389 128.3542 59.3281 39.9264 175.4920 139 D 4.8839 8.9861 126.9542 52.7509 40.7376 177.5694 140 R 3.8424 8.8483 117.4952 58.9606 30.0906 178.0231 141 N 4.6034 8.9854 113.7615 53.0810 39.2444 175.8367 142 G 3.8844 9.1527 107.9768 45.5520 0.0000 172.9389 143 K 4.9422 7.8491 118.0279 53.8405 34.4454 175.7735 144 V 4.0321 8.6281 123.3408 63.4461 31.8297 176.3582 145 L 4.6317 9.0349 127.7791 55.8766 43.7278 176.4951 146 L 4.5105 7.4956 115.6742 54.9879 43.3852 173.4902 147 Q 4.4070 8.7693 121.2142 54.5388 31.6097 173.6816 148 H 4.8243 9.3512 127.4324 54.3981 32.1633 172.7233 149 V 4.2225 8.2678 125.9118 62.3926 32.9780 176.7872 150 G 3.9721 9.9668 117.4802 45.2285 0.0000 172.5515 151 F 4.8192 8.2620 118.7831 57.1632 42.1357 173.2776 152 R 4.5777 7.9957 123.5991 52.6698 32.5136 174.1712 153 P 3.5244 0.0000 0.0000 65.9564 31.0368 178.2712 154 A 4.0245 7.6061 117.1616 54.0692 18.6478 178.4446 155 D 4.2424 8.4976 118.6734 56.0695 40.9347 178.6074 156 K 3.1191 7.0144 119.6456 59.3661 32.1592 178.6483 157 E 3.9426 7.9907 118.3433 59.2766 29.6832 178.5519 158 A 3.9981 7.8144 120.3108 55.1092 18.5404 179.4056 159 L 4.0048 7.8769 117.5796 58.0272 41.6891 179.4379 160 E 4.0569 8.6150 119.2547 59.2518 29.5659 178.8440 161 Q 4.0151 7.9909 118.0376 59.0219 28.7796 178.7962 162 Q 4.0206 8.0758 119.0543 58.8658 28.8720 178.8322 163 I 3.5604 7.7425 120.7884 64.2971 37.1743 178.0553 164 L 3.4955 7.9344 121.2095 58.0208 41.8170 178.9609 165 A 3.9086 7.9921 120.2485 55.2051 18.1809 179.5494 166 A 4.0234 7.7825 117.7420 54.9531 18.4932 179.1465 167 L 4.2019 7.4968 115.3834 55.4478 42.2082 177.3074 168 G 3.7941 7.8846 107.3665 47.1090 0.0000 173.9334 169 G 4.3232 7.6208 112.6724 45.7314 0.0000 173.6299 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 29 L 8.18 4.30 0.00 1.70 1.62 0.31 0.50 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 30 D 8.36 4.92 0.00 2.68 2.55 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 31 K 8.65 4.18 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.51 7.81 32 G 9.00 4.16 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 0.00 0.00 0.00 33 D 8.23 4.58 0.00 2.69 2.55 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 34 K 8.43 4.55 0.00 1.74 1.66 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.55 7.81 35 A 8.51 3.86 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 36 P 0.00 4.09 0.00 1.91 1.92 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.80 0.00 37 D 8.42 4.70 0.00 2.59 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 38 F 7.60 5.06 0.00 3.16 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 39 A 8.83 5.20 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 40 L 9.16 5.03 0.00 1.62 1.72 0.34 0.97 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 41 P 0.00 4.77 0.00 2.23 2.25 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.05 0.00 42 G 9.38 4.93 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 0.00 0.00 0.00 43 K 8.95 4.35 0.00 2.00 2.23 0.00 1.80 0.00 0.00 2.01 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.47 7.81 44 T 8.05 4.44 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 1.24 0.00 0.00 45 G 7.23 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 46 V 8.68 4.71 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.98 0.00 0.00 47 V 9.16 4.50 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 1.12 0.00 0.00 1.04 0.00 0.00 48 K 8.39 5.48 0.00 1.87 1.55 0.00 2.00 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.25 7.81 49 L 7.79 3.60 0.00 0.46 1.31 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.37 4.02 0.00 4.01 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 51 D 7.78 4.48 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.85 4.36 0.00 1.79 1.75 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.50 7.81 53 T 7.15 4.04 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 1.23 0.00 0.00 54 G 8.60 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 55 S 7.39 5.00 0.00 3.86 3.74 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 56 V 8.44 3.95 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 1.10 0.00 0.00 1.01 0.00 0.00 57 V 9.28 4.70 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 0.90 0.00 0.00 58 Y 8.70 4.80 0.00 3.27 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 59 L 8.82 4.73 0.00 1.69 1.50 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.89 5.02 0.00 2.59 2.26 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 61 F 9.08 5.29 0.00 3.17 2.92 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 62 W 8.96 5.19 0.00 3.42 3.34 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 63 A 7.96 4.29 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 64 S 9.30 3.47 0.00 4.04 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 65 W 7.38 4.40 0.00 3.53 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 66 C 7.26 4.32 0.00 1.83 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 67 G 9.13 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 0.00 0.00 0.00 68 P 0.00 4.56 0.00 2.28 2.52 0.00 3.63 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 2.21 2.28 0.00 69 C 8.13 4.52 0.00 3.12 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 70 R 8.14 4.07 0.00 1.91 2.17 0.00 3.21 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 71 Q 8.22 4.44 0.00 2.58 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 72 S 7.93 3.07 0.00 3.17 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 73 F 8.00 3.94 0.00 2.91 3.21 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 0.00 74 P 0.00 4.47 0.00 2.31 2.19 0.00 3.92 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 75 W 7.62 4.18 0.00 3.31 3.45 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 *77 N 8.28 4.88 0.00 3.12 2.89 0.00 0.00 6.65 7.39 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 78 Q 7.73 3.72 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.39 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 *80 Q 8.22 4.44 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 81 A 7.79 4.01 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 K 7.95 3.79 0.00 1.43 1.18 0.00 1.42 0.00 0.00 1.14 0.00 0.00 2.69 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.90 7.81 83 Y 7.48 4.82 0.00 2.62 2.67 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 84 K 8.58 4.40 0.00 2.06 2.47 0.00 1.49 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 85 A 8.04 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 86 K 7.96 4.30 0.00 2.05 1.90 0.00 1.93 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 87 G 8.66 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 88 F 7.63 5.42 0.00 3.09 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 89 Q 8.09 4.47 0.00 1.79 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.60 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 90 V 8.71 4.23 1.62 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 0.07 0.00 0.00 0.61 0.00 0.00 91 V 8.75 4.44 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 0.93 0.00 0.00 0.86 0.00 0.00 92 A 9.12 4.92 1.14 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 93 V 8.59 4.06 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 0.66 0.00 0.00 0.36 0.00 0.00 94 N 9.23 3.69 0.00 1.66 2.34 0.00 0.00 6.56 6.54 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 95 L 7.97 4.92 0.00 1.36 1.58 0.97 1.10 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 96 D 8.56 4.46 0.00 2.73 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 97 A 8.82 4.10 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 98 K 7.76 4.61 0.00 1.94 1.67 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.32 7.81 99 T 8.61 3.86 3.54 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 1.13 0.00 0.00 100 G 8.14 3.68 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 0.00 0.00 0.00 101 D 8.19 4.49 0.00 2.94 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 0.00 102 A 7.68 4.15 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 *104 K 8.27 4.27 0.00 2.15 1.98 0.00 1.72 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.81 7.81 105 F 8.33 4.09 0.00 3.28 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.90 4.49 0.00 1.83 1.87 1.37 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.68 4.13 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 0.00 108 Q 7.74 4.31 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 109 V 7.25 4.08 1.14 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 0.72 0.00 0.00 0.21 0.00 0.00 110 P 0.00 4.28 0.00 2.04 1.91 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 111 A 7.98 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.62 4.29 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 2.17 2.13 0.00 113 F 6.43 4.90 0.00 3.02 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 0.00 114 T 8.36 4.07 4.38 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 1.24 0.00 0.00 115 V 8.51 4.99 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 0.67 0.00 0.00 1.09 0.00 0.00 116 A 8.76 4.85 1.13 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 0.00 0.00 0.00 0.00 0.00 117 F 8.78 4.89 0.00 2.93 2.92 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 0.00 118 D 8.65 4.93 0.00 2.59 2.45 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 0.00 119 P 0.00 4.46 0.00 2.21 2.19 0.00 3.56 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 120 K 8.09 4.08 0.00 1.78 1.91 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 121 G 8.08 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 0.00 0.00 0.00 122 Q 8.48 4.15 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 123 T 8.82 4.02 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 1.00 0.00 0.00 124 P 0.00 3.53 0.00 2.07 1.93 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 125 R 7.83 3.91 0.00 1.98 2.01 0.00 3.14 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 126 L 7.42 4.01 0.00 2.04 1.76 1.04 0.86 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 0.00 127 Y 8.12 4.07 0.00 2.68 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 0.00 128 G 8.10 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 0.00 0.00 0.00 129 V 8.17 3.74 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 0.74 0.00 0.00 0.39 0.00 0.00 130 K 8.53 4.71 0.00 1.73 1.76 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.64 7.81 131 G 7.43 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 *133 P 0.00 4.46 0.00 2.25 2.34 0.00 3.75 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 2.09 2.11 0.00 134 T 8.39 5.20 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 0.96 0.00 0.00 135 S 9.45 5.18 0.00 3.09 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 0.00 136 F 9.18 5.28 0.00 2.92 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 0.00 137 L 8.76 5.16 0.00 2.00 1.67 1.26 1.20 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 0.00 138 I 9.14 5.13 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.95 0.99 0.00 0.00 139 D 8.99 4.88 0.00 2.82 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 0.00 140 R 8.85 3.84 0.00 1.91 2.11 0.00 3.12 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.70 0.00 141 N 8.99 4.60 0.00 2.86 2.85 0.00 0.00 7.11 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 0.00 142 G 9.15 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 0.00 0.00 0.00 143 K 7.85 4.94 0.00 2.06 1.72 0.00 1.68 0.00 0.00 2.02 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.39 7.81 144 V 8.63 4.03 2.15 0.00 0.00 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 0.00 0.00 0.97 0.00 0.00 145 L 9.03 4.63 0.00 1.75 1.75 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.50 4.51 0.00 1.76 1.77 0.99 0.37 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 0.00 147 Q 8.77 4.41 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.75 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 148 H 9.35 4.82 0.00 3.24 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.27 4.22 2.01 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 0.81 0.00 0.00 0.86 0.00 0.00 150 G 9.97 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 0.00 151 F 8.26 4.82 0.00 3.00 2.95 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 0.00 152 R 8.00 4.58 0.00 1.87 1.86 0.00 2.78 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 153 P 0.00 3.52 0.00 2.09 2.13 0.00 3.51 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 154 A 7.61 4.02 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 0.00 155 D 8.50 4.24 0.00 1.80 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 0.00 0.00 0.00 0.00 156 K 7.01 3.12 0.00 1.63 1.82 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.35 0.94 7.81 157 E 7.99 3.94 0.00 2.02 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 2.38 2.39 0.00 158 A 7.81 4.00 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 0.00 159 L 7.88 4.00 0.00 1.87 1.99 0.58 0.87 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 0.00 160 E 8.61 4.06 0.00 2.45 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 2.40 2.50 0.00 161 Q 7.99 4.02 0.00 2.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 162 Q 8.08 4.02 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 163 I 7.74 3.56 1.67 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.29 -0.19 0.00 0.00 164 L 7.93 3.50 0.00 1.65 1.71 0.84 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.99 3.91 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 0.00 166 A 7.78 4.02 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 0.00 167 L 7.50 4.20 0.00 1.67 1.67 0.31 0.82 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 0.00 168 G 7.88 3.79 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 0.00 0.00 0.00 169 G 7.62 4.32 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 0.00 * Residues marked with a * may have inaccurate shift predictions.