NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7202 8.2127 109.7309 45.1470 0.0000 174.9617 *2 L 4.0568 8.9295 117.8081 53.9724 43.8625 175.3743 3 R 3.9797 8.3631 122.4166 55.5913 29.9707 175.7514 4 P 4.2624 0.0000 0.0000 65.4139 31.3758 178.1529 5 K 3.7801 8.2151 119.1727 58.8840 32.1954 177.3314 6 A 4.6225 7.9398 118.2609 51.7669 19.0759 178.0970 7 L 3.8879 7.6809 121.3084 59.1013 42.2523 179.1625 8 T 3.8267 7.8948 114.9547 66.6329 68.4316 176.1807 9 Q 3.9001 7.9965 120.8015 59.2818 28.9942 178.3423 10 V 3.6301 7.8352 117.9888 66.0266 31.8936 177.5405 11 L 4.1547 8.2388 119.2047 57.9093 41.3843 179.7280 12 S 4.1772 8.0668 113.9333 61.2696 62.8235 176.3018 13 Q 4.0903 7.8597 120.2271 57.8083 28.5557 177.3555 14 A 4.3174 7.4834 119.8936 52.6929 20.3106 177.6236 15 N 4.6922 7.5162 117.1179 52.3686 37.3768 173.3657 16 T 4.5902 7.1688 110.3544 59.7908 72.5260 174.8522 17 G 3.8366 9.7196 106.4365 46.0339 0.0000 173.2165 18 G 3.6226 8.1337 111.0987 45.3924 0.0000 174.9061 19 V 4.1432 7.6328 121.4520 62.8766 31.5159 175.3694 20 Q 4.6202 8.9664 125.0973 56.7954 30.6668 175.3848 21 S 4.7812 7.6943 112.2739 57.5156 66.0034 174.0973 22 T 5.0600 8.9075 118.7153 61.9121 72.6996 172.9014 23 L 5.2683 9.0242 124.8533 54.0362 44.8408 174.6450 24 L 5.2727 8.9455 122.8262 53.2784 44.7177 175.1939 25 L 5.2767 8.7718 125.4653 54.1524 44.8779 175.2894 26 N 4.9006 8.4093 117.6163 51.3788 39.4547 175.7479 27 N 4.2756 8.8389 115.6843 55.8505 38.5675 175.9128 28 E 4.3015 8.2006 113.8909 55.9412 30.1033 176.6573 29 G 3.8447 8.3361 107.9310 45.7631 0.0000 173.2960 30 S 4.5191 7.7365 114.8348 56.1942 64.1412 173.6840 31 L 4.3464 8.4676 125.2110 55.4449 41.9443 176.6354 32 L 4.7345 8.7078 121.5933 55.8528 44.3098 176.7414 33 A 4.6625 7.6863 117.0074 51.3890 22.3232 174.7292 34 Y 5.4453 8.4220 120.3470 56.7490 42.3797 174.1535 35 S 3.9967 7.5084 116.6671 57.2179 66.7834 174.8094 36 G 4.2160 7.2940 109.1561 43.8122 0.0000 171.1289 37 Y 4.8227 7.7117 117.4635 55.4696 40.9775 173.0046 38 G 4.2950 8.5452 105.6332 43.6514 0.0000 173.0360 39 D 4.8305 8.5058 117.6981 53.1301 39.6086 176.0970 40 T 4.4595 7.6209 109.4980 60.6963 70.5486 174.1889 41 D 4.4152 8.4628 123.6477 53.7145 42.6920 177.1840 42 A 3.5364 8.2348 128.4660 55.0443 18.1200 179.7712 43 R 3.7833 8.2984 117.0660 59.0712 30.0957 179.3648 44 V 3.5671 7.4742 117.7561 66.1244 31.6696 177.9791 45 T 3.8815 7.9656 115.3301 66.7570 68.3383 176.4012 46 A 4.0051 8.1210 122.4538 55.0272 18.4065 179.6242 47 A 3.9487 7.8146 119.0839 55.3296 18.4490 180.0075 48 I 3.6853 7.9406 118.1528 64.4063 37.1683 178.5190 49 A 4.0951 8.5160 122.3374 55.2844 18.2196 179.8861 50 S 4.1667 8.2673 112.8309 61.5547 63.0716 176.2861 51 N 4.3626 8.2451 120.5514 56.5076 38.8094 177.0663 52 I 3.8209 8.1127 121.4524 63.9903 37.1146 178.2295 53 W 4.0431 8.5973 129.1312 60.4399 30.5121 177.8502 54 A 4.0364 8.4808 120.6007 55.0297 17.8209 179.3186 55 A 3.8205 8.0577 119.1404 55.8067 18.6131 179.6492 56 Y 3.9994 7.7139 114.2513 60.6089 37.6076 178.1596 57 D 3.9884 7.7386 119.0381 57.3057 41.6106 178.1342 58 R 4.0149 8.1711 118.9190 59.0529 30.0312 178.2625 59 N 4.2868 8.0759 117.0799 56.9373 38.7601 177.0265 60 G 3.7514 7.9843 106.2319 47.4387 0.0000 174.3498 61 N 4.7117 7.8608 116.3234 54.2502 38.7081 176.4094 62 Q 4.1459 8.0606 119.6191 56.6251 29.3866 176.1697 63 A 4.2922 7.0666 123.5070 51.4289 19.2781 177.3940 64 F 4.3142 9.0286 124.1750 60.6406 39.7432 174.9903 65 N 4.4887 7.7141 116.4386 50.9146 40.7256 173.2617 66 E 3.8610 8.4309 122.6382 57.1014 29.8325 177.1058 67 D 4.7577 8.0963 127.4072 52.9211 41.5277 174.6973 68 S 4.3608 7.7317 116.4047 57.1757 64.4522 174.9297 69 L 3.9669 8.2709 123.7155 55.4658 42.1744 176.8512 70 K 4.8199 8.5247 123.3142 57.0779 34.8132 175.9504 71 F 5.1010 7.8590 117.6997 57.1797 42.5267 173.4697 72 I 4.6785 8.9479 125.4890 59.7858 40.7005 174.7323 73 L 5.5486 8.4104 126.3305 51.9718 45.3053 174.8082 *75 D 4.5588 8.4580 117.9907 55.1049 42.6238 174.1286 76 C 4.6773 8.3306 123.2220 60.3545 28.2641 175.3505 *78 E 4.0758 9.0714 124.9973 55.3413 30.5853 174.3825 79 G 4.0800 6.5130 107.6128 46.5278 0.0000 172.2070 80 R 5.1280 8.7188 119.0707 54.1325 34.1748 175.2977 81 V 4.8893 8.3833 120.1950 61.0729 35.3848 173.8577 82 A 5.3395 8.7098 127.4979 50.2980 22.4782 174.9265 83 I 4.9331 8.5914 122.1000 60.0021 41.6744 174.5443 84 T 4.2790 8.0814 119.8848 61.2919 71.3855 172.0733 85 R 4.5251 8.0571 122.2351 54.9970 32.0076 177.4237 86 V 4.1905 8.1717 120.8193 61.6990 33.9627 176.4599 87 A 3.6853 9.0645 134.7443 53.5943 17.6006 177.6863 88 N 4.8193 9.0343 115.2064 54.8741 37.4063 173.8094 89 L 4.6368 8.1034 119.9224 53.6650 45.0963 174.9228 90 L 4.8164 8.7042 119.2112 52.8653 45.2865 175.7260 91 L 5.0506 8.7864 124.3445 53.5161 44.8656 174.7055 92 C 5.9382 8.5781 124.5007 56.7242 36.1808 171.8059 *94 Y 5.1695 8.2226 117.1765 58.0020 39.0719 174.4530 95 A 5.1782 9.1127 124.4207 49.8945 23.3681 175.6387 96 K 4.3534 8.5898 118.8904 56.0997 32.8736 178.4525 97 E 3.8452 8.9785 122.3652 59.7919 29.4536 178.5958 98 T 3.9676 7.7465 106.1284 62.4055 69.1762 174.2336 99 V 3.9213 7.7403 124.1414 61.3274 31.7258 175.9142 100 G 3.7330 8.4425 116.4500 45.4698 0.0000 172.8623 101 F 4.3965 8.6023 119.6599 60.5892 39.2835 178.3662 102 G 3.4725 8.1610 104.7863 46.7405 0.0000 174.3995 *104 L 4.2355 7.9749 123.2075 54.6984 43.9069 178.8356 105 K 3.8369 8.1403 118.8855 59.3703 31.9948 178.6016 106 A 3.9522 8.1177 121.0918 55.1316 18.4065 179.8237 107 K 3.9745 8.0525 116.3201 59.4613 32.1472 179.3696 108 A 4.1110 8.2722 121.1156 55.3654 18.4048 179.6936 109 Q 4.0886 8.5822 116.6112 59.0929 28.7451 178.9821 110 A 4.0499 8.1745 121.8747 55.0040 18.3429 179.5045 111 L 3.9834 7.9599 118.6493 58.1678 42.2233 179.1359 112 V 3.5908 8.1921 118.6830 66.2537 31.3100 177.7157 113 Q 4.0124 8.2489 119.0850 59.4526 28.6389 177.7468 114 Y 4.2107 7.8161 119.6109 60.7025 38.9428 177.4221 115 L 3.9547 8.1967 119.4833 57.5813 41.7847 178.9194 116 E 4.3325 8.1478 117.6577 57.8267 30.3032 176.4134 117 E 5.2004 7.6224 113.2673 55.2995 31.8610 173.9856 118 P 4.4288 0.0000 0.0000 65.0911 31.6336 178.6869 119 L 4.2094 8.0908 116.8395 56.9908 41.5668 178.3589 120 T 3.9554 8.1733 115.5970 65.9193 68.5553 174.1271 121 Q 4.4359 7.9475 120.9054 54.7706 29.4459 175.3819 122 V 4.4236 7.9547 114.7878 60.8090 35.7785 174.3174 123 A 4.1922 8.2224 122.5909 53.0343 19.0333 176.0710 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 0 G 8.21 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 0.00 0.00 0.00 *2 L 8.93 4.06 0.00 1.27 1.48 0.71 0.87 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 3 R 8.36 3.98 0.00 2.05 2.03 0.00 3.08 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 4 P 0.00 4.26 0.00 2.22 2.35 0.00 3.68 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 2.06 1.95 0.00 5 K 8.22 3.78 0.00 1.71 1.88 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.51 7.81 6 A 7.94 4.62 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 7 L 7.68 3.89 0.00 1.80 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.89 3.83 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 1.24 0.00 0.00 9 Q 8.00 3.90 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 10 V 7.84 3.63 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 1.07 0.00 0.00 1.16 0.00 0.00 11 L 8.24 4.15 0.00 1.85 1.67 0.99 0.98 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 12 S 8.07 4.18 0.00 4.04 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 13 Q 7.86 4.09 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 14 A 7.48 4.32 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 15 N 7.52 4.69 0.00 2.82 2.97 0.00 0.00 6.73 8.89 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 16 T 7.17 4.59 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 1.26 0.00 0.00 17 G 9.72 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 18 G 8.13 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 19 V 7.63 4.14 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 0.98 0.00 0.00 20 Q 8.97 4.62 0.00 1.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.37 2.20 0.00 21 S 7.69 4.78 0.00 3.96 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 22 T 8.91 5.06 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 1.21 0.00 0.00 23 L 9.02 5.27 0.00 1.75 1.91 0.73 0.10 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 24 L 8.95 5.27 0.00 1.72 1.51 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.77 5.28 0.00 1.65 1.64 0.90 0.26 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 26 N 8.41 4.90 0.00 2.82 2.98 0.00 0.00 7.39 6.89 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 27 N 8.84 4.28 0.00 2.74 2.96 0.00 0.00 6.80 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 28 E 8.20 4.30 0.00 2.07 2.05 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 2.34 2.28 0.00 29 G 8.34 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 30 S 7.74 4.52 0.00 3.99 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 31 L 8.47 4.35 0.00 1.61 1.64 0.89 0.92 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 32 L 8.71 4.73 0.00 1.52 1.65 0.88 0.73 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 33 A 7.69 4.66 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 34 Y 8.42 5.45 0.00 2.79 2.78 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 35 S 7.51 4.00 0.00 3.74 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 36 G 7.29 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 0.00 0.00 0.00 0.00 37 Y 7.71 4.82 0.00 3.07 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 38 G 8.55 4.30 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 0.00 39 D 8.51 4.83 0.00 2.81 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 40 T 7.62 4.46 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 1.31 0.00 0.00 41 D 8.46 4.42 0.00 2.78 2.53 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 42 A 8.23 3.54 0.19 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 43 R 8.30 3.78 0.00 2.02 1.93 0.00 3.09 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 44 V 7.47 3.57 2.22 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 1.08 0.00 0.00 0.91 0.00 0.00 45 T 7.97 3.88 4.19 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 1.07 0.00 0.00 46 A 8.12 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 47 A 7.81 3.95 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 48 I 7.94 3.69 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 0.97 0.00 0.00 49 A 8.52 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 4.17 0.00 4.27 4.19 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 51 N 8.25 4.36 0.00 2.99 3.00 0.00 0.00 7.18 7.81 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 52 I 8.11 3.82 2.01 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 1.49 1.02 1.13 0.00 0.00 53 W 8.60 4.04 0.00 3.57 3.28 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 54 A 8.48 4.04 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 55 A 8.06 3.82 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 56 Y 7.71 4.00 0.00 2.87 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 57 D 7.74 3.99 0.00 2.14 2.69 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 58 R 8.17 4.01 0.00 1.82 1.93 0.00 3.17 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 59 N 8.08 4.29 0.00 2.93 2.93 0.00 0.00 7.09 7.92 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 60 G 7.98 3.75 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 0.00 0.00 0.00 61 N 7.86 4.71 0.00 2.84 2.86 0.00 0.00 7.03 7.24 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 62 Q 8.06 4.15 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 63 A 7.07 4.29 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 64 F 9.03 4.31 0.00 2.96 3.15 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 0.00 0.00 0.00 65 N 7.71 4.49 0.00 2.70 2.68 0.00 0.00 6.89 7.65 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 66 E 8.43 3.86 0.00 1.89 1.85 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 2.28 2.36 0.00 67 D 8.10 4.76 0.00 2.61 2.50 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 68 S 7.73 4.36 0.00 4.23 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 69 L 8.27 3.97 0.00 1.35 1.23 -0.73 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.52 4.82 0.00 1.89 1.97 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.56 7.81 71 F 7.86 5.10 0.00 3.11 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 72 I 8.95 4.68 1.99 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 1.03 0.59 0.88 0.00 0.00 73 L 8.41 5.55 0.00 1.55 1.78 1.02 1.48 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 *75 D 8.46 4.56 0.00 3.06 2.80 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 0.00 0.00 0.00 0.00 76 C 8.33 4.68 0.00 3.07 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 0.00 0.00 0.00 *78 E 9.07 4.08 0.00 1.85 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 2.20 2.32 0.00 79 G 6.51 4.08 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 0.00 80 R 8.72 5.13 0.00 1.65 1.82 0.00 2.98 0.00 0.00 2.68 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 81 V 8.38 4.89 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 1.18 0.00 0.00 0.69 0.00 0.00 82 A 8.71 5.34 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 83 I 8.59 4.93 2.02 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 1.16 0.70 0.96 0.00 0.00 84 T 8.08 4.28 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 1.03 0.00 0.00 85 R 8.06 4.53 0.00 1.64 1.71 0.00 3.30 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.19 0.00 86 V 8.17 4.19 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 0.93 0.00 0.00 0.87 0.00 0.00 87 A 9.06 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 9.03 4.82 0.00 2.80 2.87 0.00 0.00 5.79 7.79 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 89 L 8.10 4.64 0.00 1.54 1.73 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.70 4.82 0.00 1.30 1.18 0.72 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.79 5.05 0.00 1.59 1.44 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.58 5.94 0.00 2.95 2.65 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 *94 Y 8.22 5.17 0.00 2.86 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 95 A 9.11 5.18 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 96 K 8.59 4.35 0.00 1.75 1.73 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.60 7.81 97 E 8.98 3.85 0.00 1.91 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 2.37 2.23 0.00 98 T 7.75 3.97 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 1.19 0.00 0.00 99 V 7.74 3.92 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 0.76 0.00 0.00 0.97 0.00 0.00 100 G 8.44 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 0.00 101 F 8.60 4.40 0.00 3.20 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 0.00 102 G 8.16 3.47 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 0.00 *104 L 7.97 4.24 0.00 1.87 2.02 1.02 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.14 3.84 0.00 1.71 1.73 0.00 1.25 0.00 0.00 1.35 0.00 0.00 2.60 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.81 0.21 7.81 106 A 8.12 3.95 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 K 8.05 3.97 0.00 2.01 1.91 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.52 7.81 108 A 8.27 4.11 1.69 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 0.00 109 Q 8.58 4.09 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.60 0.00 110 A 8.17 4.05 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 0.00 111 L 7.96 3.98 0.00 1.86 1.91 1.02 0.74 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 0.00 112 V 8.19 3.59 2.33 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 1.01 0.00 0.00 1.07 0.00 0.00 113 Q 8.25 4.01 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 114 Y 7.82 4.21 0.00 3.04 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 0.00 115 L 8.20 3.95 0.00 1.61 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.15 4.33 0.00 2.02 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 2.32 2.42 0.00 117 E 7.62 5.20 0.00 1.90 1.76 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 2.09 2.16 0.00 118 P 0.00 4.43 0.00 2.12 1.91 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.00 119 L 8.09 4.21 0.00 1.90 1.74 0.93 0.68 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 0.00 120 T 8.17 3.96 4.53 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 1.29 0.00 0.00 121 Q 7.95 4.44 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.77 2.60 0.00 122 V 7.95 4.42 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 0.70 0.00 0.00 0.95 0.00 0.00 123 A 8.22 4.19 1.18 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.