NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9185 8.2300 117.6205 52.2652 39.2284 174.5304 3 R 3.7330 8.7113 117.7036 59.1061 29.7659 176.1799 4 Q 4.0232 8.9442 120.0974 59.5745 29.6628 177.5421 5 Q 4.1149 8.2420 118.4545 59.0029 28.6865 178.8240 6 F 4.0885 8.4256 122.0171 61.2572 39.5098 177.2651 7 I 3.8586 8.1322 112.4196 64.0693 37.1666 177.9724 8 D 4.3208 8.0992 120.4294 57.4899 40.7030 177.8065 9 Y 3.9620 8.0819 119.7921 60.7142 38.8150 178.1564 10 A 4.1083 7.8743 121.6566 55.1906 18.3809 179.3964 11 Q 4.1250 7.9909 117.8444 58.9725 28.8575 178.5953 12 K 3.8756 7.5846 118.5013 59.1719 32.5962 179.2600 13 K 3.6236 7.4569 116.3801 58.0731 31.9995 177.2980 14 Y 4.4281 7.1928 113.5282 55.9453 40.5638 174.5602 15 D 5.3946 7.8693 117.1145 54.7731 39.6170 172.9540 16 T 4.6749 8.0291 112.9971 61.4188 70.7948 174.1423 17 K 4.4069 8.4426 127.2601 53.9822 33.4173 174.2183 18 P 3.4892 0.0000 0.0000 62.9690 31.7902 175.2522 19 D 4.7338 8.1267 122.2270 53.0413 44.0380 175.0934 20 H 5.0953 8.2882 117.4038 53.2483 28.9689 171.3874 21 P 4.0755 0.0000 0.0000 64.5193 31.9422 177.2134 22 W 4.6531 8.0369 119.3448 55.5031 29.6870 176.9701 23 E 4.1261 9.0320 122.5822 59.1854 29.5305 178.5365 24 K 3.8717 8.2594 117.8412 58.0976 32.5774 176.6261 25 F 4.4319 7.6758 117.2362 54.2333 38.8907 173.7460 26 P 4.4437 0.0000 0.0000 65.2777 31.7149 178.0975 27 D 4.5853 8.2394 117.2882 57.2225 41.0946 176.8181 28 Y 4.4561 7.8261 114.9225 58.7483 38.3866 175.7473 29 A 4.9804 9.4500 126.0238 50.3642 22.7925 175.2195 30 V 4.6708 8.3152 115.1089 59.4793 35.1279 174.9704 31 F 4.8670 8.9745 121.7983 55.6683 41.8000 174.6108 32 R 5.7396 8.3576 118.8821 53.5982 33.4055 174.1517 33 H 4.8962 8.9185 115.3279 55.2375 29.8993 177.0591 34 S 4.3131 8.8922 115.1440 60.6305 62.8448 174.7426 35 D 4.3907 7.9545 120.4007 55.8379 40.1582 175.8457 36 N 4.6033 8.5989 121.8623 52.8783 38.6740 175.5298 37 D 5.0718 7.9850 116.2809 54.6970 38.8101 173.1044 38 K 4.5348 8.6472 119.3603 55.4411 33.3850 176.7279 39 W 5.1196 9.1968 125.6964 57.2352 29.5331 175.4852 40 Y 5.2733 9.3268 120.1414 56.4536 39.2056 175.1835 41 A 4.9654 7.7698 120.5505 51.2571 23.1162 175.0029 42 L 4.9276 9.0890 124.8407 53.2744 44.7187 175.3734 43 L 4.7778 9.2326 129.2073 53.1413 44.4748 175.0536 *45 D 5.0636 8.6920 121.7770 54.2910 41.9577 174.2211 46 I 4.7588 8.4988 119.2390 57.9963 42.0731 173.1541 47 P 4.4387 0.0000 0.0000 62.1752 32.0985 177.2704 48 A 3.8169 9.1249 126.5126 55.3794 18.0861 179.3677 49 E 3.9700 8.0455 116.5738 59.1073 29.2023 179.3705 50 K 3.9100 7.4481 117.9442 57.8902 32.0321 177.2414 51 I 4.4024 7.1986 111.2327 60.2153 37.8735 175.9228 52 G 4.1476 8.5299 112.8398 46.3396 0.0000 175.0000 53 I 3.9018 7.1992 120.1740 60.5297 39.0141 175.5349 54 N 5.0109 8.4842 127.2671 53.2790 38.7496 170.3221 55 G 3.9246 8.6973 114.0563 45.6201 0.0000 174.2328 56 D 4.6420 8.4500 125.3126 53.0705 39.8567 174.5033 57 K 4.7647 7.3506 120.9544 55.1090 37.1772 177.0941 58 R 4.8757 8.4216 119.5490 55.3776 32.2939 176.0328 59 V 4.5091 8.9138 112.5697 60.0993 36.2924 173.9371 60 D 5.1130 8.5636 122.6721 52.8485 42.6126 175.9009 61 V 4.7006 8.1414 115.7016 59.3230 36.5348 174.3641 62 I 4.7257 8.5096 115.5350 59.2625 40.8068 173.8124 63 D 5.6182 9.1095 125.0407 52.9376 43.1061 175.4812 64 L 5.2392 9.1433 122.3885 52.8348 46.0425 175.3501 65 K 3.8616 8.5865 123.4908 55.2874 33.6730 175.8971 66 V 4.5100 8.0545 119.1724 59.4448 36.4810 174.9190 67 Q 4.1803 8.4822 120.6043 54.8079 29.0927 175.6778 68 P 4.2505 0.0000 0.0000 65.0514 31.0211 177.3266 69 E 4.1071 8.0903 113.8043 57.0326 30.1267 177.2143 70 L 4.6160 8.3033 121.1775 54.3850 42.8304 178.3754 71 V 3.6881 7.3591 118.9269 65.8236 31.1737 178.1141 72 G 3.5795 7.9391 104.2607 47.8102 0.0000 175.4113 73 S 4.2820 7.9405 116.6655 60.9047 63.2306 176.2619 74 L 4.0342 8.2075 123.0627 57.6908 41.2862 179.6766 75 R 3.9845 7.6854 116.0666 58.9353 30.0553 178.6392 76 K 4.1220 7.5350 116.6193 57.4241 32.7755 177.6213 77 K 4.2095 7.8685 119.5483 55.0515 32.7447 174.2554 78 P 4.2391 0.0000 0.0000 63.6424 32.1272 176.6559 79 G 4.0873 8.8490 110.6012 44.7071 0.0000 172.3150 80 I 4.9114 6.6739 119.3752 59.8183 39.1780 174.6446 81 Y 4.7819 9.0274 123.7794 55.0140 42.3084 173.0763 82 P 4.7528 0.0000 0.0000 62.3131 32.1813 176.7952 83 A 4.1521 8.8177 124.5433 53.0031 18.8419 176.1719 84 Y 4.5066 8.8415 123.7806 57.0722 40.2855 175.0847 85 H 3.5292 7.9442 124.0875 56.7478 26.0402 174.3840 *87 N 4.5245 7.9378 116.4751 53.2602 39.6092 174.9460 88 K 4.1179 8.8066 125.2568 59.2448 32.2139 177.8537 89 E 4.2880 8.6918 117.4360 57.8120 29.8882 177.1776 90 H 4.8353 8.3958 113.8208 54.7349 31.8501 173.1537 91 W 5.2611 8.7415 117.1810 54.8666 32.3034 175.2042 92 I 4.8657 8.9037 120.9405 60.0512 41.4591 174.6521 93 T 5.1899 8.6902 121.6590 61.2030 70.9574 173.2190 94 V 4.7188 8.9185 127.6464 61.0448 33.7569 174.3536 95 L 4.4697 8.8416 131.1008 54.5372 42.3523 176.3710 96 L 4.2070 8.6891 127.1673 54.7706 42.5947 176.2623 97 N 4.1969 8.8916 116.2584 54.6979 35.6730 174.0622 98 G 4.4490 7.5931 107.4222 42.8487 0.0000 172.3476 99 P 4.0916 0.0000 0.0000 64.3905 31.4614 176.3569 100 L 4.1429 7.2237 122.1934 54.3850 42.7991 177.1093 101 G 3.7385 8.5081 112.3462 44.2304 0.0000 174.2937 102 A 3.8862 8.6075 125.7379 54.9175 18.3061 180.1566 103 K 3.7161 7.8128 117.2915 59.7494 32.5803 178.4244 104 E 3.9370 8.1215 119.0054 59.4190 29.3988 178.7577 105 I 3.7589 8.2272 120.1523 64.6155 37.1581 178.0140 106 H 4.0677 8.4474 117.7124 58.8218 28.4918 178.0287 107 S 4.2143 8.1231 116.0497 61.4967 62.8444 176.5680 108 L 4.0931 7.9048 122.3175 57.5351 41.4068 179.4940 109 I 3.8811 8.2678 120.1854 64.3214 36.9493 178.1660 110 E 4.3609 8.2188 121.4726 58.9792 29.5999 178.4200 111 D 4.3985 8.6474 119.3549 57.6879 40.7044 178.9548 112 S 4.3236 8.1110 113.6686 60.5577 62.7235 175.7426 113 F 3.8588 8.0652 123.3305 61.4427 38.9490 177.3186 114 Q 3.9809 8.5037 117.8586 58.5735 28.2713 178.1179 115 L 4.1509 7.9345 120.2523 56.6824 42.1319 177.2241 116 T 4.5224 7.0252 106.2668 61.2816 69.4082 173.9337 117 R 3.4775 7.3474 127.7700 56.8650 29.9453 176.0699 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 2 N 8.23 4.92 0.00 2.95 3.07 0.00 0.00 5.72 6.77 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 3 R 8.71 3.73 0.00 2.17 2.05 0.00 3.38 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 4 Q 8.94 4.02 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.62 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 5 Q 8.24 4.11 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 6 F 8.43 4.09 0.00 3.12 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 7 I 8.13 3.86 2.22 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 1.67 0.72 1.31 0.00 0.00 8 D 8.10 4.32 0.00 3.02 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 9 Y 8.08 3.96 0.00 3.00 2.93 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 10 A 7.87 4.11 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 11 Q 7.99 4.12 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 12 K 7.58 3.88 0.00 1.55 1.68 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.55 7.81 13 K 7.46 3.62 0.00 0.79 0.74 0.00 1.18 0.00 0.00 1.39 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.70 0.24 7.81 14 Y 7.19 4.43 0.00 3.10 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 15 D 7.87 5.39 0.00 2.77 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 16 T 8.03 4.67 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 17 K 8.44 4.41 0.00 1.70 1.70 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.33 7.81 18 P 0.00 3.49 0.00 1.84 1.65 0.00 3.74 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 1.92 2.02 0.00 19 D 8.13 4.73 0.00 2.31 2.30 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 20 H 8.29 5.10 0.00 3.01 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.08 0.00 0.60 1.63 0.00 3.48 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.78 0.00 22 W 8.04 4.65 0.00 3.64 3.25 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 23 E 9.03 4.13 0.00 2.09 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 2.31 2.30 0.00 24 K 8.26 3.87 0.00 1.81 1.33 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.34 1.46 7.81 25 F 7.68 4.43 0.00 2.67 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 0.00 0.00 0.00 26 P 0.00 4.44 0.00 2.03 2.10 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 27 D 8.24 4.59 0.00 2.90 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 28 Y 7.83 4.46 0.00 3.10 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 29 A 9.45 4.98 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 30 V 8.32 4.67 0.74 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 -0.20 0.00 0.00 0.10 0.00 0.00 31 F 8.97 4.87 0.00 2.27 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 0.00 0.00 0.00 0.00 32 R 8.36 5.74 0.00 2.03 2.14 0.00 2.87 0.00 0.00 4.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 33 H 8.92 4.90 0.00 3.36 3.45 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.89 4.31 0.00 3.92 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 35 D 7.95 4.39 0.00 2.71 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 36 N 8.60 4.60 0.00 2.82 2.91 0.00 0.00 5.99 8.06 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 37 D 7.98 5.07 0.00 2.91 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 38 K 8.65 4.53 0.00 1.94 1.90 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.63 7.81 39 W 9.20 5.12 0.00 3.34 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 40 Y 9.33 5.27 0.00 3.00 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 41 A 7.77 4.97 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 42 L 9.09 4.93 0.00 1.73 1.50 0.86 0.23 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 43 L 9.23 4.78 0.00 1.84 1.86 0.72 1.54 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 D 8.69 5.06 0.00 2.86 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 46 I 8.50 4.76 1.51 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.48 0.64 0.00 0.00 47 P 0.00 4.44 0.00 2.13 1.98 0.00 3.52 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 48 A 9.12 3.82 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 49 E 8.05 3.97 0.00 2.17 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 0.00 2.32 2.22 0.00 50 K 7.45 3.91 0.00 1.44 1.40 0.00 1.96 0.00 0.00 1.84 0.00 0.00 3.22 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.41 1.50 7.81 51 I 7.20 4.40 1.56 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.14 0.58 0.00 0.00 52 G 8.53 4.15 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 0.00 0.00 0.00 53 I 7.20 3.90 1.80 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 1.42 1.15 0.68 0.00 0.00 54 N 8.48 5.01 0.00 2.84 2.80 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.70 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 56 D 8.45 4.64 0.00 2.64 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 57 K 7.35 4.76 0.00 1.78 1.81 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.38 7.81 58 R 8.42 4.88 0.00 1.68 1.98 0.00 3.33 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 59 V 8.91 4.51 1.94 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 0.61 0.00 0.00 0.75 0.00 0.00 60 D 8.56 5.11 0.00 2.61 2.49 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 61 V 8.14 4.70 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 0.77 0.00 0.00 0.74 0.00 0.00 62 I 8.51 4.73 1.57 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.95 -0.15 0.00 0.00 63 D 9.11 5.62 0.00 2.71 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 64 L 9.14 5.24 0.00 1.70 1.56 1.09 0.57 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 65 K 8.59 3.86 0.00 0.79 1.10 0.00 1.29 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.94 0.48 7.81 66 V 8.05 4.51 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 0.70 0.00 0.00 0.94 0.00 0.00 67 Q 8.48 4.18 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 68 P 0.00 4.25 0.00 2.15 2.26 0.00 3.84 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 2.06 1.94 0.00 69 E 8.09 4.11 0.00 2.09 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 0.00 2.26 2.26 0.00 70 L 8.30 4.62 0.00 1.75 1.70 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.36 3.69 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 1.06 0.00 0.00 0.98 0.00 0.00 72 G 7.94 3.58 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 0.00 0.00 0.00 73 S 7.94 4.28 0.00 4.05 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 74 L 8.21 4.03 0.00 1.93 1.75 0.96 0.85 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 75 R 7.69 3.98 0.00 1.86 1.99 0.00 3.20 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 76 K 7.53 4.12 0.00 1.97 1.83 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.44 7.81 77 K 7.87 4.21 0.00 1.86 1.67 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.34 7.81 78 P 0.00 4.24 0.00 2.14 2.00 0.00 3.68 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 1.95 1.92 0.00 79 G 8.85 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 6.67 4.91 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.92 0.00 0.00 81 Y 9.03 4.78 0.00 2.89 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 82 P 0.00 4.75 0.00 2.03 2.05 0.00 3.89 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 83 A 8.82 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 84 Y 8.84 4.51 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 H 7.94 3.53 0.00 2.85 3.11 0.00 5.80 0.00 0.00 0.00 0.00 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 N 7.94 4.52 0.00 2.85 3.06 0.00 0.00 7.07 7.44 0.00 0.00 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 K 8.81 4.12 0.00 1.84 1.92 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.50 7.81 89 E 8.69 4.29 0.00 2.20 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 2.31 2.30 0.00 90 H 8.40 4.84 0.00 3.23 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.74 5.26 0.00 3.31 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 92 I 8.90 4.87 2.06 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 1.27 1.07 0.98 0.00 0.00 93 T 8.69 5.19 4.46 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 1.23 0.00 0.00 94 V 8.92 4.72 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 1.02 0.00 0.00 0.97 0.00 0.00 95 L 8.84 4.47 0.00 1.76 1.83 0.94 0.98 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 96 L 8.69 4.21 0.00 1.67 1.54 0.75 1.08 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 N 8.89 4.20 0.00 2.98 2.90 0.00 0.00 6.59 7.94 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 98 G 7.59 4.45 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 0.00 0.00 0.00 99 P 0.00 4.09 0.00 2.18 2.20 0.00 3.81 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 2.10 1.97 0.00 100 L 7.22 4.14 0.00 1.46 1.60 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.51 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 0.00 0.00 0.00 102 A 8.61 3.89 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 0.00 103 K 7.81 3.72 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 104 E 8.12 3.94 0.00 2.10 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 0.00 2.37 2.46 0.00 105 I 8.23 3.76 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.68 0.93 0.00 0.00 106 H 8.45 4.07 0.00 3.22 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.12 4.21 0.00 4.11 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 0.00 108 L 7.90 4.09 0.00 1.97 1.81 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.27 3.88 2.31 0.00 0.00 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 1.79 1.36 1.22 0.00 0.00 110 E 8.22 4.36 0.00 2.38 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 2.41 2.37 0.00 111 D 8.65 4.40 0.00 2.94 2.72 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 0.00 112 S 8.11 4.32 0.00 3.98 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 0.00 113 F 8.07 3.86 0.00 2.71 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 0.00 114 Q 8.50 3.98 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.61 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 115 L 7.93 4.15 0.00 1.88 1.60 0.86 0.67 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 0.00 116 T 7.03 4.52 4.36 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 1.33 0.00 0.00 117 R 7.35 3.48 0.00 1.78 1.71 0.00 3.39 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.