NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.2523 8.4401 120.2260 55.7159 30.9639 174.8610 7 A 3.9950 8.2395 122.5521 51.6379 18.8462 175.9366 8 T 3.7944 9.1391 117.1982 64.4511 69.7717 172.4655 9 K 4.5445 8.2021 124.1870 53.8129 34.9021 176.0110 10 V 3.5718 8.1717 119.5121 63.0662 31.6758 175.4347 11 Q 3.9391 8.7017 127.2496 56.3123 29.2606 176.3342 12 R 3.8591 8.4389 125.3015 56.3182 30.6082 175.6650 13 D 4.5317 8.6590 125.0784 54.2206 40.4259 174.8950 14 I 4.6433 8.1285 119.8946 60.6961 38.2150 177.9135 15 S 4.1837 8.6529 119.7319 62.1455 62.4463 176.0605 16 A 3.9515 8.0599 123.7874 55.0271 17.8665 179.4728 17 F 4.0139 7.9200 114.8492 60.6851 39.1008 177.7612 18 K 4.1958 8.1478 116.4615 59.3715 32.1148 179.1137 19 K 4.1959 8.5213 119.2711 59.2509 31.8556 180.2879 20 V 3.8355 7.5284 115.4888 63.6593 31.1686 177.2640 *22 Q 4.1920 8.0448 120.0377 55.6346 30.9571 176.6595 23 N 4.2949 8.4792 115.9766 56.7922 38.8651 176.9745 24 I 3.6932 7.9793 121.3824 64.3229 37.1089 178.2405 25 S 4.0975 8.0781 113.4816 61.5439 62.1538 176.1101 26 L 3.9773 8.2626 121.5721 57.7471 41.3349 179.4194 27 A 4.0026 8.0456 120.7962 55.0655 18.2473 179.8788 28 V 3.5932 8.1625 117.1660 66.1099 31.5453 177.7618 29 N 4.3126 8.4591 117.0440 56.5674 38.8903 176.6030 30 K 3.8989 8.3208 121.2016 59.4777 32.2757 178.4418 31 F 4.2596 8.2560 120.7653 61.4692 39.3542 176.7561 32 N 4.1573 8.6047 116.4838 56.2222 38.1095 177.4128 33 V 3.5276 7.7943 118.7409 66.2144 31.7764 177.6054 34 D 4.4529 7.8448 118.2489 57.3906 40.8422 178.6464 35 I 3.4808 7.6507 119.4709 63.9843 37.6365 177.8144 36 E 4.0331 7.9116 118.5771 58.7028 29.3553 178.5036 37 R 4.3855 7.3435 115.8863 55.3886 30.7727 175.8550 38 Y 4.2740 7.3000 121.2226 57.4164 39.3365 174.7945 39 V 3.7995 8.0514 126.3742 62.4899 32.9193 175.3502 40 G 3.4265 6.9674 105.6100 46.1474 0.0000 171.9286 41 G 3.7893 8.3861 106.5260 44.3624 0.0000 172.1676 42 D 4.3821 8.7931 118.3722 54.9397 41.6941 176.9485 43 A 4.6763 8.5413 127.5785 52.0113 19.7738 177.8491 44 S 4.1720 8.6339 118.5273 63.4404 62.7568 176.6320 45 H 4.2433 8.3266 117.0913 58.5010 28.2959 177.6238 46 L 3.9848 7.4728 121.9430 57.5337 41.3522 179.2976 47 L 3.9529 7.8234 118.3139 57.6166 41.5334 179.1508 48 A 3.9939 8.2766 120.9599 55.3303 18.3312 179.3003 49 D 4.4591 8.4058 117.5350 57.5391 40.8351 179.3595 50 G 3.4889 8.2084 106.1289 47.8715 0.0000 175.4729 51 N 4.3007 8.4768 119.4804 55.9790 38.4601 177.6322 52 V 3.5615 8.0571 119.8824 65.8628 31.5650 177.8908 53 L 3.8925 7.9446 120.0845 58.0335 41.8668 178.6224 54 I 3.5992 7.9219 118.8755 64.0916 37.9222 177.7400 55 K 3.8873 8.2835 120.2762 59.3876 31.9870 178.5901 56 A 4.0135 8.2828 121.3454 55.3437 18.3991 179.7729 57 T 3.7596 8.0275 114.1851 66.9329 68.7196 177.0322 58 L 4.0280 8.1917 121.1339 57.8144 41.6276 179.2182 59 D 4.4841 8.8074 119.4359 57.2885 40.6829 179.1339 60 G 3.5952 8.0058 106.3305 47.6863 0.0000 175.8203 61 V 3.5638 7.3107 119.2857 65.8264 31.8371 177.6882 62 Q 4.2073 7.9820 118.8682 59.3541 28.7518 178.1657 63 S 4.1302 8.3929 115.3454 60.7739 63.2028 175.6645 64 L 4.2740 7.5818 119.6308 54.2302 41.5632 178.2501 65 Q 4.0310 7.7094 118.1115 58.2435 28.5793 176.9194 66 N 4.7934 7.9266 113.3946 52.2710 37.9456 173.9164 67 E 4.3608 7.7949 119.5964 54.8451 30.3056 174.8572 68 P 4.4896 0.0000 0.0000 61.5885 32.1342 174.4693 69 P 4.4388 0.0000 0.0000 62.8549 31.8328 176.2830 70 L 4.4002 8.1369 121.1034 53.9890 42.5704 177.3629 71 S 4.4165 8.9866 118.1091 57.6400 64.0891 175.2986 72 S 4.0508 8.5734 112.8818 60.1820 62.7939 176.3295 *74 E 4.1675 8.2584 121.9542 56.3948 31.3029 178.0660 75 A 3.8411 8.2392 120.8139 54.9872 18.3446 179.4667 76 L 3.8259 7.9498 118.7112 58.1561 41.9314 178.8927 77 A 4.1346 7.9610 119.4119 55.0009 18.2418 179.2381 78 L 4.0746 7.2576 116.8208 57.8989 42.0225 179.2502 79 V 4.0153 7.8730 116.8758 64.3101 33.1142 176.5551 80 G 4.2059 8.4788 107.1456 42.2133 0.0000 171.0829 81 P 4.1880 0.0000 0.0000 66.1276 31.6523 179.0280 82 V 3.5853 7.6856 117.6925 65.7736 31.4834 177.6168 83 Q 3.9147 7.9895 118.9207 59.0687 28.9445 177.3551 84 D 4.2983 8.3093 119.3352 57.3506 41.1838 178.1023 85 L 3.9107 7.9248 120.6033 58.1431 41.8880 178.6716 86 S 4.0648 7.9694 111.8631 61.6357 62.3859 175.4917 87 N 4.4609 8.2082 117.9595 56.6649 38.6004 177.1570 88 Q 4.2108 8.3184 119.3312 58.6450 28.7212 179.0711 89 I 3.8522 7.7822 118.1160 61.8547 36.8568 177.6072 *91 L 4.1623 7.9147 123.6023 55.1044 43.8923 178.5402 92 A 4.0228 8.1301 120.1948 55.2730 18.2077 179.6861 93 I 3.6777 7.7892 118.1330 64.7680 37.2106 178.7891 94 Q 4.0495 8.0321 118.3462 58.9512 28.3783 178.2556 95 N 4.3340 8.3841 117.1628 56.1721 38.8807 176.9397 96 L 4.1487 8.1374 121.6130 58.3621 42.2757 178.9765 97 I 3.8744 7.9974 119.7619 64.6992 36.8132 178.0932 98 D 4.4936 8.2255 118.6639 56.5356 40.8338 178.0213 99 K 4.5170 7.8628 117.4495 55.9727 32.2780 177.8486 100 K 3.9777 7.9612 123.4078 59.7703 31.8459 178.2873 101 E 3.9082 8.1144 118.9273 58.8819 29.7400 176.8189 102 P 4.2610 0.0000 0.0000 65.8561 31.1517 178.2141 103 L 4.0577 8.1502 118.7642 57.6793 41.5858 179.6182 104 V 3.6917 8.2273 118.4067 66.2171 31.2851 178.1500 105 Q 4.0741 8.3154 116.6326 58.4960 28.6063 177.8607 106 A 4.4631 7.9823 119.9447 52.5372 18.9076 178.1550 107 G 3.8507 8.2284 105.4838 45.8630 0.0000 174.6921 108 F 4.6766 8.7123 116.9866 56.8431 39.3748 177.6904 109 G 3.9906 8.2404 107.4688 48.0258 0.0000 176.1698 110 G 3.6554 8.0820 107.8614 47.3973 0.0000 175.8516 111 K 3.9861 7.9849 120.4835 59.0575 32.0457 179.4291 112 V 3.3920 8.0931 118.8784 65.9012 31.3892 177.6184 113 E 3.9028 8.0747 119.0343 59.2422 29.4439 178.2707 114 N 4.2639 8.3289 117.1015 56.7579 38.9834 176.3083 115 N 4.2773 8.3556 118.6318 56.7322 38.9543 176.7564 116 L 3.9639 8.2088 120.7176 57.8817 41.6868 179.7135 117 R 3.9491 8.1706 118.0263 59.3200 29.9479 179.1684 118 Q 4.0011 8.1623 117.9291 58.9663 28.6442 178.6816 119 Q 3.9827 8.3339 119.4916 58.8503 28.7414 178.4728 120 E 3.9177 8.5003 120.6020 59.4523 29.7718 178.8203 121 E 4.1298 8.1679 118.2717 59.3130 29.5424 179.2570 122 A 3.9545 8.1964 120.6263 55.0947 18.4537 179.4706 123 A 3.9577 8.3698 119.7325 55.4069 18.3642 179.7546 124 Q 3.9578 8.2144 116.4812 59.1580 28.7992 179.4469 125 K 3.9563 7.9658 119.1885 59.4173 32.0224 179.2734 126 L 3.9830 8.0438 120.6142 58.1081 42.0171 179.0479 127 S 4.0990 8.5053 115.6775 61.4722 62.5414 176.2015 128 E 3.9039 8.1207 120.8995 59.2353 29.7317 178.2922 129 L 4.0785 7.8320 120.2087 58.2795 42.1719 178.9844 130 V 3.6239 8.0870 118.6560 66.0860 31.1813 178.0413 131 S 4.1654 8.0281 113.2244 61.3433 62.7558 175.9382 132 T 4.2053 7.7729 111.3810 62.6587 69.0637 175.2466 133 K 4.4394 7.8223 119.5186 56.3761 33.6746 176.8714 134 V 3.9959 7.5459 112.6060 59.5516 32.5582 174.2745 135 P 4.4429 0.0000 0.0000 62.6737 32.1607 176.8505 136 H 4.1080 8.9788 116.1303 58.8653 28.2465 176.8831 137 E 4.1506 7.7650 115.4666 57.5577 29.9496 177.4845 138 L 4.5562 8.0068 119.4296 54.3392 42.1234 177.5939 139 A 3.9960 7.7390 122.7886 55.5621 18.2431 180.0190 140 D 4.2903 7.9848 116.6942 57.5069 41.1644 178.6996 141 I 3.6654 7.6759 118.7240 64.0058 38.0337 177.7431 142 S 4.0774 8.2711 114.1793 61.3888 62.2816 176.1213 143 R 3.9704 8.0757 122.7949 58.7920 29.7949 178.1519 144 Q 3.9638 8.4163 119.8252 59.0570 29.0543 178.1971 145 L 3.9495 7.8389 121.1546 58.2108 41.6732 179.1297 146 S 4.1573 8.0569 114.2884 61.5628 62.8622 176.0773 147 D 4.4977 8.7548 123.0890 56.9781 40.5209 178.9992 148 G 3.6138 8.1627 106.2104 47.8738 0.0000 175.8610 149 I 3.7092 7.6616 121.7401 63.9454 37.1543 178.2751 150 A 3.9633 8.3204 121.7151 55.2762 18.2193 179.5567 151 A 4.0819 8.4642 119.6712 55.0896 18.4010 180.1178 152 G 3.5646 8.0581 104.2969 48.1187 0.0000 175.9840 153 I 3.7522 8.0049 122.8865 63.8897 37.0014 178.4403 154 K 3.9312 8.1887 120.5002 59.2796 31.7670 178.7129 155 K 4.0220 8.0353 119.2549 59.3290 32.3939 178.6185 156 G 3.9392 8.1429 105.9422 48.0447 0.0000 175.4522 157 I 3.8058 8.0606 123.1917 64.2789 37.0226 178.2197 158 D 4.5216 8.3671 117.4057 56.2972 40.6865 177.6899 159 A 4.2723 7.8192 120.0391 52.5758 19.1840 177.0862 160 F 4.3433 8.1009 120.8072 57.5581 39.6087 175.0095 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 6 E 8.44 4.25 0.00 1.97 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 2.21 2.26 0.00 7 A 8.24 3.99 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 8 T 9.14 3.79 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 9 K 8.20 4.54 0.00 1.71 1.72 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.58 7.81 10 V 8.17 3.57 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 0.76 0.00 0.00 0.93 0.00 0.00 11 Q 8.70 3.94 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 12 R 8.44 3.86 0.00 1.90 1.82 0.00 3.41 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 13 D 8.66 4.53 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.13 4.64 1.92 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 0.63 0.89 0.00 0.00 15 S 8.65 4.18 0.00 4.10 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 16 A 8.06 3.95 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.92 4.01 0.00 3.19 3.13 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 18 K 8.15 4.20 0.00 1.91 1.91 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.75 7.81 19 K 8.52 4.20 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 20 V 7.53 3.84 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 1.06 0.00 0.00 0.92 0.00 0.00 *22 Q 8.04 4.19 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 23 N 8.48 4.29 0.00 2.97 2.93 0.00 0.00 7.23 8.33 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 24 I 7.98 3.69 1.88 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 1.40 0.68 0.91 0.00 0.00 25 S 8.08 4.10 0.00 3.90 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 26 L 8.26 3.98 0.00 1.87 1.72 0.93 1.06 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 27 A 8.05 4.00 1.37 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 28 V 8.16 3.59 2.24 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 1.16 0.00 0.00 1.00 0.00 0.00 29 N 8.46 4.31 0.00 2.95 2.97 0.00 0.00 6.87 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.32 3.90 0.00 2.05 1.86 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 31 F 8.26 4.26 0.00 3.21 3.24 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 32 N 8.60 4.16 0.00 2.93 2.85 0.00 0.00 6.71 7.23 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 33 V 7.79 3.53 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 0.82 0.00 0.00 0.95 0.00 0.00 34 D 7.84 4.45 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 3.48 0.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.12 0.54 0.00 0.00 36 E 7.91 4.03 0.00 2.03 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 2.32 2.41 0.00 37 R 7.34 4.39 0.00 1.83 1.97 0.00 3.29 0.00 0.00 3.14 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 38 Y 7.30 4.27 0.00 3.00 3.04 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 39 V 8.05 3.80 1.88 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 0.74 0.00 0.00 0.88 0.00 0.00 40 G 6.97 3.43 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 0.00 41 G 8.39 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 42 D 8.79 4.38 0.00 2.68 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 43 A 8.54 4.68 1.04 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 0.00 0.00 44 S 8.63 4.17 0.00 3.97 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 45 H 8.33 4.24 0.00 3.37 3.55 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.47 3.98 0.00 1.68 1.75 0.12 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.82 3.95 0.00 1.78 1.70 0.89 0.98 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 48 A 8.28 3.99 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 49 D 8.41 4.46 0.00 3.14 2.97 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 50 G 8.21 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.30 0.00 2.87 2.87 0.00 0.00 6.69 7.42 0.00 0.00 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 V 8.06 3.56 2.24 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 1.09 0.00 0.00 0.96 0.00 0.00 53 L 7.94 3.89 0.00 1.85 1.74 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.92 3.60 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 1.01 0.00 0.00 55 K 8.28 3.89 0.00 1.91 1.93 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.59 7.81 56 A 8.28 4.01 1.37 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 57 T 8.03 3.76 4.37 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 1.19 0.00 0.00 58 L 8.19 4.03 0.00 1.65 1.69 0.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.81 4.48 0.00 2.81 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 60 G 8.01 3.60 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 0.00 61 V 7.31 3.56 2.23 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 0.81 0.00 0.00 0.97 0.00 0.00 62 Q 7.98 4.21 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 63 S 8.39 4.13 0.00 3.76 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 64 L 7.58 4.27 0.00 1.56 1.39 0.77 -0.15 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 65 Q 7.71 4.03 0.00 2.15 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 66 N 7.93 4.79 0.00 2.79 2.90 0.00 0.00 6.04 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 67 E 7.79 4.36 0.00 2.08 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 2.12 1.81 0.00 68 P 0.00 4.49 0.00 2.08 2.01 0.00 3.77 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 2.06 2.14 0.00 69 P 0.00 4.44 0.00 2.05 2.01 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 70 L 8.14 4.40 0.00 1.51 1.43 0.43 0.36 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 71 S 8.99 4.42 0.00 3.97 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 72 S 8.57 4.05 0.00 3.88 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 *74 E 8.26 4.17 0.00 2.18 1.92 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 2.26 2.28 0.00 75 A 8.24 3.84 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 76 L 7.95 3.83 0.00 1.76 1.64 0.90 1.14 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 77 A 7.96 4.13 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 78 L 7.26 4.07 0.00 1.63 1.66 0.39 0.91 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 79 V 7.87 4.02 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 0.80 0.00 0.00 0.93 0.00 0.00 80 G 8.48 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 0.00 0.00 0.00 0.00 81 P 0.00 4.19 0.00 2.27 2.44 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 82 V 7.69 3.59 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 0.93 0.00 0.00 83 Q 7.99 3.91 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 84 D 8.31 4.30 0.00 2.80 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 85 L 7.92 3.91 0.00 1.90 1.79 0.92 0.68 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 86 S 7.97 4.06 0.00 3.89 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 87 N 8.21 4.46 0.00 2.87 2.87 0.00 0.00 7.15 7.42 0.00 0.00 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 Q 8.32 4.21 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.07 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 89 I 7.78 3.85 2.01 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 1.40 0.74 0.91 0.00 0.00 *91 L 7.91 4.16 0.00 1.81 1.88 0.98 1.23 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 92 A 8.13 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 93 I 7.79 3.68 1.89 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 0.87 1.03 0.00 0.00 94 Q 8.03 4.05 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 95 N 8.38 4.33 0.00 2.89 2.90 0.00 0.00 7.00 7.48 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 96 L 8.14 4.15 0.00 1.85 1.89 0.80 0.83 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 97 I 8.00 3.87 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 1.65 0.72 0.89 0.00 0.00 98 D 8.23 4.49 0.00 2.89 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 99 K 7.86 4.52 0.00 1.94 1.84 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.58 7.81 100 K 7.96 3.98 0.00 1.45 1.64 0.00 1.25 0.00 0.00 1.33 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 0.69 7.81 101 E 8.11 3.91 0.00 2.06 1.92 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 2.39 2.37 0.00 102 P 0.00 4.26 0.00 2.32 2.31 0.00 3.78 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 2.27 2.08 0.00 103 L 8.15 4.06 0.00 2.19 1.95 1.06 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.23 3.69 2.24 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 1.07 0.00 0.00 1.07 0.00 0.00 105 Q 8.32 4.07 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 106 A 7.98 4.46 1.57 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 0.00 0.00 107 G 8.23 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 0.00 108 F 8.71 4.68 0.00 3.17 3.07 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 0.00 109 G 8.24 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 0.00 110 G 8.08 3.66 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 0.00 0.00 0.00 111 K 7.98 3.99 0.00 2.02 1.92 0.00 1.42 0.00 0.00 1.31 0.00 0.00 2.59 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.42 7.81 112 V 8.09 3.39 1.75 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 -0.17 0.00 0.00 0.86 0.00 0.00 113 E 8.07 3.90 0.00 2.19 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 2.39 2.56 0.00 114 N 8.33 4.26 0.00 2.79 2.96 0.00 0.00 6.87 6.34 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 0.00 115 N 8.36 4.28 0.00 2.88 2.84 0.00 0.00 7.29 7.50 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 0.00 116 L 8.21 3.96 0.00 1.85 1.70 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.17 3.95 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 118 Q 8.16 4.00 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 119 Q 8.33 3.98 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 120 E 8.50 3.92 0.00 2.11 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 2.31 2.36 0.00 121 E 8.17 4.13 0.00 2.20 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 2.33 2.55 0.00 122 A 8.20 3.95 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.37 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 0.00 124 Q 8.21 3.96 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 125 K 7.97 3.96 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 126 L 8.04 3.98 0.00 1.77 1.66 0.92 0.76 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 0.00 127 S 8.51 4.10 0.00 4.05 3.90 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 0.00 128 E 8.12 3.90 0.00 2.09 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 0.00 2.33 2.47 0.00 129 L 7.83 4.08 0.00 1.82 1.81 0.92 0.95 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 0.00 130 V 8.09 3.62 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 1.00 0.00 0.00 0.99 0.00 0.00 131 S 8.03 4.17 0.00 4.08 4.12 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 0.00 0.00 0.00 0.00 132 T 7.77 4.21 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 0.00 133 K 7.82 4.44 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.52 7.81 134 V 7.55 4.00 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 0.72 0.00 0.00 0.98 0.00 0.00 135 P 0.00 4.44 0.00 2.51 2.16 0.00 3.71 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 2.05 1.94 0.00 136 H 8.98 4.11 0.00 3.32 3.63 0.00 5.45 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.77 4.15 0.00 2.05 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 2.22 2.22 0.00 138 L 8.01 4.56 0.00 1.78 1.68 0.91 0.84 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 0.00 139 A 7.74 4.00 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 0.00 140 D 7.98 4.29 0.00 2.70 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 0.00 141 I 7.68 3.67 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 1.52 1.35 0.94 0.00 0.00 142 S 8.27 4.08 0.00 4.00 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 0.00 143 R 8.08 3.97 0.00 2.06 2.09 0.00 3.37 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 144 Q 8.42 3.96 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 145 L 7.84 3.95 0.00 1.99 1.76 0.92 0.55 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 0.00 146 S 8.06 4.16 0.00 4.11 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 0.00 147 D 8.75 4.50 0.00 2.85 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 0.00 148 G 8.16 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 0.00 149 I 7.66 3.71 2.00 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 1.46 0.62 0.91 0.00 0.00 150 A 8.32 3.96 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 0.00 151 A 8.46 4.08 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 0.00 152 G 8.06 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 I 8.00 3.75 2.00 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 1.41 0.87 0.92 0.00 0.00 154 K 8.19 3.93 0.00 1.98 1.99 0.00 1.55 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.64 7.81 155 K 8.04 4.02 0.00 1.82 2.02 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.47 7.81 156 G 8.14 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 0.00 157 I 8.06 3.81 2.06 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 1.55 0.70 0.95 0.00 0.00 158 D 8.37 4.52 0.00 2.78 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 0.00 159 A 7.82 4.27 1.21 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 0.00 0.00 160 F 8.10 4.34 0.00 3.04 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 * Residues marked with a * may have inaccurate shift predictions.