NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2220 8.1744 110.9431 61.1395 70.7604 173.0990 8 D 4.4098 7.9124 123.0419 51.2962 40.9247 174.5557 9 P 4.3606 0.0000 0.0000 65.4183 32.3298 176.9744 10 R 4.2885 7.8261 115.4133 56.2639 30.6631 176.6850 11 A 4.1882 7.5776 121.0526 51.1873 18.9714 177.2955 12 K 3.9173 8.5917 121.4952 56.6839 32.6556 176.4138 13 W 4.4505 8.7529 135.0000 56.8878 31.4422 175.5383 14 V 4.1035 7.4920 124.0680 60.0986 32.3626 173.4563 15 P 3.7259 0.0000 0.0000 62.0207 32.3624 175.3498 16 Q 4.7127 8.6825 117.1676 54.6039 31.5880 174.5598 17 D 5.2271 8.5674 116.2383 54.5429 41.6694 175.7424 18 N 4.9974 9.6949 114.8579 52.2215 38.5434 173.9867 19 D 4.3856 8.1100 119.5927 53.4777 43.1466 175.2847 20 I 2.8612 7.9961 120.4932 62.2782 38.0606 176.4692 21 Q 4.2612 8.2610 119.1045 55.9822 29.0194 175.2350 22 A 4.8235 7.4534 121.3242 50.5177 20.8882 178.1490 23 C 4.5811 8.7592 117.6697 61.8096 28.5917 174.1478 24 D 5.0432 8.0975 119.1892 53.2286 40.4913 175.5867 25 Y 4.7780 8.3345 121.7945 57.7706 39.3326 176.9314 26 W 4.4934 7.7591 123.4039 59.8077 28.2480 177.7331 27 R 3.4240 6.0724 117.3535 57.9840 29.8580 176.4160 28 H 5.1509 8.3913 115.8455 55.9302 28.9163 174.5096 29 C 3.1578 8.3281 117.3539 57.0217 42.4142 173.9592 30 S 5.0810 8.1159 114.4932 56.6239 62.5717 173.8260 31 I 3.4674 7.5682 118.4226 60.3222 39.1838 174.3402 32 D 4.8204 8.9906 127.1695 54.5776 43.9960 172.2615 33 G 4.2009 7.5262 119.8379 44.2861 0.0000 174.1085 34 N 5.3933 9.6182 123.4547 50.9168 42.5048 173.4128 35 I 4.1885 8.2532 123.1658 61.1453 37.8210 177.3486 36 C 4.1648 8.5533 123.9062 62.5514 28.5446 175.5500 37 D 4.4683 8.1761 118.9344 57.3378 40.7707 177.9965 38 C 4.6968 8.0009 114.1690 57.5880 40.3113 173.7204 39 S 4.6386 8.2469 114.4485 58.4225 63.0128 174.9042 40 G 4.1116 8.7855 107.6845 46.1669 0.0000 175.6036 41 G 4.0977 7.4925 111.0999 44.9515 0.0000 171.6300 42 S 5.1462 8.3979 115.2548 57.5281 66.0324 174.4370 43 L 3.9875 8.7080 120.9433 58.1782 41.6771 178.5987 44 T 4.8928 7.7342 105.6183 60.9620 69.5803 172.8829 45 N 5.0386 7.8258 117.0582 52.2658 42.4962 173.4820 46 C 4.8344 8.4352 118.1596 55.5005 39.2962 172.1877 47 P 4.6462 0.0000 0.0000 61.5421 31.6589 174.4730 48 P 4.0979 0.0000 0.0000 64.5058 31.6365 176.9760 49 G 3.9502 8.9190 110.3417 45.1669 0.0000 173.3401 50 T 4.2720 6.5690 108.6710 60.1851 71.2213 174.2382 51 K 4.5380 8.4549 121.0046 54.3322 35.0983 175.4123 52 L 4.4679 8.5286 127.3668 54.2526 42.5069 176.3751 53 A 4.4016 8.8333 129.1293 52.4968 18.9625 177.0372 54 T 4.3714 8.7167 108.7155 62.7213 70.6535 175.3943 55 A 4.6344 8.1658 124.5477 52.3615 19.6742 176.5653 56 S 4.5509 7.6857 111.7688 58.0975 64.7883 173.8484 *58 V 4.2836 8.1878 118.5072 62.2216 32.3262 174.8873 59 A 4.9372 8.7848 123.2606 50.3748 23.2887 174.9350 60 S 5.0043 8.7678 114.3689 57.5671 63.3144 173.9549 61 C 5.2701 9.7046 126.0672 55.3201 41.1208 172.7849 62 Y 4.6504 9.0610 125.5816 57.3421 40.2133 173.3755 63 N 3.8047 8.1657 126.3363 50.8277 39.3564 173.8840 64 P 4.0627 0.0000 0.0000 65.5512 31.8837 178.0531 65 T 3.9163 7.7720 116.1015 65.7568 68.3147 174.9656 66 D 4.6014 7.5016 116.6201 52.1180 40.2198 176.5191 67 G 3.6610 7.7186 107.4255 46.1395 0.0000 173.4755 68 Q 4.4716 7.6276 118.4053 54.2268 31.5501 174.6337 69 S 5.1326 8.1810 117.2287 57.4308 65.1808 172.7870 70 Y 5.1706 9.0802 121.9469 56.1179 41.3307 174.8633 71 L 4.8179 8.9874 123.5094 54.5037 43.3154 175.7895 72 I 4.5564 8.8347 125.6861 59.6224 39.1238 174.7966 73 A 4.7380 8.0311 129.9243 50.0779 19.1541 175.8516 74 Y 4.4143 8.2111 118.8018 59.1441 39.6083 175.6643 75 R 4.8306 8.5715 120.8590 54.5927 34.3905 174.3246 76 D 5.1504 8.7677 122.2764 53.7704 43.3167 175.8863 77 C 5.0486 8.9583 120.3330 55.8709 43.1858 172.3782 78 C 5.2221 9.2510 120.8865 55.3489 44.3016 175.0105 79 G 4.1851 9.5877 107.3541 45.4633 0.0000 172.9687 80 Y 4.9105 7.3381 114.7736 55.4657 41.8795 174.7218 81 N 4.5718 8.5821 120.4899 53.0802 39.2474 175.1031 82 V 4.1182 8.6075 121.5007 61.1950 31.9229 177.4832 83 S 4.1261 8.3803 118.1887 59.7923 62.8907 175.8420 84 G 3.9834 7.7444 104.1625 45.0261 0.0000 173.0692 85 R 4.5333 7.6340 118.1942 55.6474 33.1590 175.3434 86 C 4.3667 8.7160 117.2091 57.5005 37.6807 171.3841 87 P 5.0241 0.0000 0.0000 63.2269 32.5641 176.1736 88 C 4.7749 8.7153 116.5959 58.7833 33.3246 173.0201 89 L 4.9710 8.5025 123.9417 53.7578 44.1869 174.8676 90 N 5.1304 9.1873 124.1100 51.0141 42.9816 174.6171 91 T 5.0328 7.5570 108.8644 61.0491 69.0823 173.8158 92 E 4.0078 8.5334 123.1038 58.3671 29.7174 177.4864 93 G 3.7744 8.7743 111.4424 46.0026 0.0000 172.2399 94 E 4.3547 7.9955 121.1873 55.8298 30.0388 176.3630 95 L 4.6813 8.4432 126.2780 52.3365 45.2577 174.0392 96 P 4.6045 0.0000 0.0000 61.7336 32.4620 178.1876 97 V 3.6070 8.5075 120.0776 65.0327 31.1077 177.0117 98 Y 4.3713 7.9042 116.4239 58.3486 38.8521 176.0223 99 R 4.6364 7.5339 121.6875 54.1221 29.7154 174.8280 100 P 4.5258 0.0000 0.0000 65.4076 32.2225 179.3770 101 E 3.7072 8.2104 117.6059 58.4169 29.6387 177.3779 102 F 4.9315 8.2724 115.4863 56.8711 39.9848 174.2279 103 A 5.2747 8.4933 124.4136 50.1196 19.9739 177.0718 104 N 5.1242 9.6124 118.9839 52.7537 37.8436 175.2898 105 D 4.7207 7.9098 117.8334 55.3158 41.5185 176.9309 106 I 3.5104 7.3934 120.2013 60.9353 37.4295 176.1651 107 I 3.9270 7.7517 125.6604 60.5869 36.3567 176.7159 108 W 4.4493 8.3362 132.1157 56.2801 28.2667 176.7999 109 C 4.5919 7.0580 114.0272 56.6819 39.3732 174.4877 110 F 4.4686 6.8759 119.8360 59.2193 38.8977 176.4049 111 G 4.4981 9.3708 110.9613 46.3484 0.0000 173.7290 112 A 4.2905 7.4682 122.7956 51.4252 19.2977 177.3188 113 E 3.9331 8.6317 121.8002 57.9067 30.1297 176.8068 114 D 4.3568 8.9561 121.6809 54.8894 38.2080 173.3578 115 D 4.3980 8.4462 115.2705 54.7582 38.6044 173.8515 116 A 4.1141 7.7678 121.0595 53.0384 18.6025 178.3426 117 M 4.7047 8.4552 120.0345 54.5642 34.0943 175.7179 118 T 4.3571 7.6783 109.8528 61.3143 71.0394 172.8435 119 Y 4.6027 8.5465 124.6912 57.1825 40.2640 174.3008 120 H 4.6715 8.0902 126.0749 57.1470 32.2303 173.5480 121 C 4.8702 6.3787 109.9868 58.0506 32.5366 172.0140 122 T 5.2415 8.9942 115.7407 61.7700 71.4785 174.0268 123 I 4.5389 8.9170 119.2167 59.1102 40.6006 175.0384 124 S 4.9632 8.3159 117.1354 56.5535 62.0109 172.5059 125 P 4.5051 0.0000 0.0000 62.2788 33.5941 177.0903 126 I 4.5064 8.1419 122.8916 61.3311 37.4888 176.0642 127 V 4.2567 8.5594 119.5798 61.1051 33.3840 175.3624 128 G 4.0562 7.6148 106.5232 45.9003 0.0000 172.4627 129 K 4.8172 8.8102 118.9409 55.1648 33.7964 177.2769 130 A 4.4030 8.6046 123.8512 52.1153 18.7847 176.5071 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 7 T 8.17 4.22 4.26 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 1.23 0.00 0.00 8 D 7.91 4.41 0.00 2.88 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.24 2.20 0.00 3.83 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 2.01 2.01 0.00 10 R 7.83 4.29 0.00 1.81 2.03 0.00 3.18 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 11 A 7.58 4.19 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 12 K 8.59 3.92 0.00 1.77 1.79 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.51 7.81 13 W 8.75 4.45 0.00 3.23 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 14 V 7.49 4.10 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 0.82 0.00 0.00 0.95 0.00 0.00 15 P 0.00 3.73 0.00 2.27 1.97 0.00 3.68 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 2.10 2.22 0.00 16 Q 8.68 4.71 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 17 D 8.57 5.23 0.00 2.59 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 18 N 9.69 5.00 0.00 2.77 2.91 0.00 0.00 6.52 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 19 D 8.11 4.39 0.00 2.67 2.56 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 20 I 8.00 2.86 1.32 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.11 0.00 0.00 21 Q 8.26 4.26 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 22 A 7.45 4.82 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 23 C 8.76 4.58 0.00 3.14 3.19 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 24 D 8.10 5.04 0.00 2.44 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 25 Y 8.33 4.78 0.00 3.34 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 26 W 7.76 4.49 0.00 3.65 3.11 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 27 R 6.07 3.42 0.00 1.45 1.56 0.00 2.93 0.00 0.00 2.74 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.39 5.15 0.00 3.56 3.37 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.33 3.16 0.00 2.44 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 30 S 8.12 5.08 0.00 3.81 3.83 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 0.00 0.00 0.00 31 I 7.57 3.47 1.84 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 1.02 1.14 0.89 0.00 0.00 32 D 8.99 4.82 0.00 2.76 2.42 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 0.00 0.00 0.00 0.00 33 G 7.53 4.20 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 0.00 34 N 9.62 5.39 0.00 2.82 2.87 0.00 0.00 7.40 8.12 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 35 I 8.25 4.19 1.85 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 1.06 0.93 0.96 0.00 0.00 36 C 8.55 4.16 0.00 2.91 2.94 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 37 D 8.18 4.47 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 38 C 8.00 4.70 0.00 3.12 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 39 S 8.25 4.64 0.00 4.00 3.87 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 40 G 8.79 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 0.00 0.00 0.00 41 G 7.49 4.10 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 0.00 0.00 0.00 42 S 8.40 5.15 0.00 3.95 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 43 L 8.71 3.99 0.00 1.66 1.67 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.73 4.89 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 45 N 7.83 5.04 0.00 2.72 2.65 0.00 0.00 7.05 7.54 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 46 C 8.44 4.83 0.00 2.89 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 47 P 0.00 4.65 0.00 2.01 2.13 0.00 3.49 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 2.11 2.13 0.00 48 P 0.00 4.10 0.00 2.02 1.98 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 49 G 8.92 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 50 T 6.57 4.27 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 0.27 0.00 0.00 51 K 8.45 4.54 0.00 1.62 1.69 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.30 1.61 7.81 52 L 8.53 4.47 0.00 1.60 1.55 0.90 1.06 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 53 A 8.83 4.40 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 54 T 8.72 4.37 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 1.28 0.00 0.00 55 A 8.17 4.63 1.71 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 0.00 0.00 56 S 7.69 4.55 0.00 3.87 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 *58 V 8.19 4.28 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 0.69 0.00 0.00 1.00 0.00 0.00 59 A 8.78 4.94 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 60 S 8.77 5.00 0.00 3.96 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 61 C 9.70 5.27 0.00 3.20 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 62 Y 9.06 4.65 0.00 3.13 2.96 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 63 N 8.17 3.80 0.00 1.44 2.18 0.00 0.00 6.62 8.51 0.00 0.00 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 P 0.00 4.06 0.00 2.15 2.21 0.00 3.26 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.10 0.00 65 T 7.77 3.92 4.13 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 1.14 0.00 0.00 66 D 7.50 4.60 0.00 2.65 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 67 G 7.72 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 68 Q 7.63 4.47 0.00 1.45 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 69 S 8.18 5.13 0.00 3.77 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 70 Y 9.08 5.17 0.00 3.34 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 71 L 8.99 4.82 0.00 1.73 1.63 1.00 0.78 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 72 I 8.83 4.56 1.35 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.18 0.14 0.00 0.00 73 A 8.03 4.74 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 74 Y 8.21 4.41 0.00 2.87 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 75 R 8.57 4.83 0.00 1.65 1.77 0.00 3.27 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 76 D 8.77 5.15 0.00 2.84 2.57 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 77 C 8.96 5.05 0.00 2.68 2.86 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 78 C 9.25 5.22 0.00 2.77 2.99 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 79 G 9.59 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 0.00 0.00 0.00 80 Y 7.34 4.91 0.00 2.55 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 81 N 8.58 4.57 0.00 2.65 2.73 0.00 0.00 7.03 7.71 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 82 V 8.61 4.12 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 1.00 0.00 0.00 1.12 0.00 0.00 83 S 8.38 4.13 0.00 3.98 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 84 G 7.74 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 85 R 7.63 4.53 0.00 1.80 1.83 0.00 3.33 0.00 0.00 3.47 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 86 C 8.72 4.37 0.00 3.08 3.08 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 87 P 0.00 5.02 0.00 2.18 2.06 0.00 3.81 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 2.00 2.00 0.00 88 C 8.72 4.77 0.00 2.85 2.83 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 0.00 0.00 0.00 89 L 8.50 4.97 0.00 1.51 1.48 0.89 0.88 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 90 N 9.19 5.13 0.00 2.37 2.09 0.00 0.00 6.14 6.60 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 91 T 7.56 5.03 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 92 E 8.53 4.01 0.00 1.84 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 1.94 2.01 0.00 93 G 8.77 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 0.00 0.00 0.00 94 E 8.00 4.35 0.00 1.97 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 2.60 2.52 0.00 95 L 8.44 4.68 0.00 1.71 1.44 0.80 0.63 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 96 P 0.00 4.60 0.00 1.83 2.05 0.00 3.28 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 97 V 8.51 3.61 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 0.85 0.00 0.00 0.94 0.00 0.00 98 Y 7.90 4.37 0.00 3.16 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 99 R 7.53 4.64 0.00 1.81 2.02 0.00 3.38 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.35 0.00 100 P 0.00 4.53 0.00 2.62 2.54 0.00 3.76 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 101 E 8.21 3.71 0.00 1.41 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 2.08 2.19 0.00 102 F 8.27 4.93 0.00 3.18 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 0.00 103 A 8.49 5.27 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.61 5.12 0.00 2.70 2.89 0.00 0.00 7.02 7.93 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 0.00 105 D 7.91 4.72 0.00 2.64 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 0.00 106 I 7.39 3.51 1.01 0.00 0.00 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 1.14 0.31 -0.41 0.00 0.00 107 I 7.75 3.93 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.98 0.00 0.00 108 W 8.34 4.45 0.00 3.42 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 0.00 109 C 7.06 4.59 0.00 2.74 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 0.00 110 F 6.88 4.47 0.00 3.27 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 0.00 111 G 9.37 4.50 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 0.00 0.00 0.00 112 A 7.47 4.29 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 0.00 113 E 8.63 3.93 0.00 2.01 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 2.38 2.36 0.00 114 D 8.96 4.36 0.00 2.88 2.77 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 0.00 115 D 8.45 4.40 0.00 2.80 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 0.00 116 A 7.77 4.11 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.46 4.70 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 118 T 7.68 4.36 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 1.23 0.00 0.00 119 Y 8.55 4.60 0.00 3.16 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 0.00 120 H 8.09 4.67 0.00 3.20 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.38 4.87 0.00 3.04 2.77 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 0.00 122 T 8.99 5.24 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 1.35 0.00 0.00 123 I 8.92 4.54 1.99 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 1.34 1.21 0.92 0.00 0.00 124 S 8.32 4.96 0.00 3.75 3.76 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 0.00 125 P 0.00 4.51 0.00 2.04 2.11 0.00 3.64 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 2.12 1.94 0.00 126 I 8.14 4.51 1.84 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.41 1.08 0.00 0.00 127 V 8.56 4.26 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 0.61 0.00 0.00 0.96 0.00 0.00 128 G 7.61 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 0.00 0.00 0.00 129 K 8.81 4.82 0.00 1.61 1.63 0.00 1.43 0.00 0.00 0.99 0.00 0.00 2.64 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.29 7.81 130 A 8.60 4.40 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 * Residues marked with a * may have inaccurate shift predictions.