NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 Q 4.3910 8.3331 121.7090 55.8856 30.0948 175.2317 11 G 4.0586 7.8041 117.3741 44.9286 0.0000 171.0423 12 R 4.2991 8.9189 122.8692 56.9250 31.6712 176.5846 13 G 3.5723 7.9457 107.3984 47.8709 0.0000 175.7756 14 A 3.9295 7.9914 119.9876 52.5454 18.4660 176.8557 15 W 4.6080 7.8488 114.5061 58.3170 31.6927 177.7553 16 L 3.6362 8.1717 117.9957 57.2753 40.9006 179.6408 17 L 4.0104 8.4181 121.2695 58.5963 42.2168 178.7559 18 M 4.1854 8.1457 117.9532 58.3331 30.9409 178.4206 19 A 4.2186 9.2723 122.2796 55.2083 18.5261 179.5244 20 F 4.4271 8.2688 118.8087 61.6701 39.3011 177.4116 21 T 3.8762 8.3314 111.9345 64.8619 67.3606 175.4527 22 A 4.1646 8.0744 122.4452 54.4001 18.5727 179.4015 23 L 3.9989 7.2703 117.8833 57.1364 41.3769 178.0338 24 A 4.1595 7.2254 119.5424 51.8413 19.0761 177.6130 25 L 4.6828 7.6835 119.5005 56.8898 48.2839 178.6634 26 E 3.4710 8.0765 118.0369 59.0237 29.0831 179.3594 27 L 4.2120 7.7424 118.5486 57.3622 41.8532 178.7003 28 T 3.7828 7.8824 115.1550 66.8105 68.2779 175.8877 29 A 4.5366 8.8261 123.0525 55.5662 18.6095 179.7283 30 L 4.1373 7.7435 116.4064 57.4008 41.6244 179.2916 31 W 4.4559 8.6089 129.0591 60.7127 30.2185 177.7608 32 F 3.9368 7.8978 117.0386 60.7491 38.2066 177.1563 33 Q 4.6118 8.0525 118.3659 58.8000 28.7821 177.8686 34 H 4.8083 7.6667 112.5599 55.9208 30.8292 175.8950 35 V 3.9678 7.8992 113.9332 63.1126 31.8889 177.4449 36 M 4.1896 6.8694 116.3070 56.2243 31.6734 176.3373 37 L 3.6938 7.3030 122.7699 55.1481 40.8037 175.5849 38 L 3.6327 8.4088 126.8723 55.5118 38.5247 175.1102 39 K 3.9640 8.2668 121.5377 57.9463 33.1514 174.9763 40 P 4.3477 0.0000 0.0000 62.2758 32.2048 174.4775 41 S 4.5056 8.0765 110.5896 59.1863 66.1117 175.8251 42 V 2.9972 7.3750 121.0769 63.4201 31.6315 175.0988 43 L 4.2464 8.4937 117.2337 55.6945 41.9541 177.6362 44 C 4.5988 8.6270 121.3520 61.8254 31.2512 175.6599 45 I 3.6366 7.7369 113.9490 64.4090 37.1677 177.5046 46 Y 3.9142 8.2216 117.1052 60.7431 37.7504 178.1826 47 E 4.1871 8.4693 119.2877 58.6659 29.7777 178.8782 48 R 3.8887 8.3248 118.7209 59.4580 30.1979 178.7292 49 V 3.7569 7.5971 117.4109 66.3786 31.4804 177.5561 50 A 4.0803 7.6692 120.1816 55.5419 18.1684 179.7233 51 L 4.0519 8.0645 116.8328 57.7292 41.8684 179.0410 52 F 4.7818 8.1280 115.0564 58.9592 39.2415 176.9255 53 G 3.9641 8.3761 108.6774 47.2817 0.0000 176.2153 54 V 3.7307 7.6338 119.5905 66.5130 31.8866 177.1956 55 L 3.8570 9.2841 116.3191 58.4820 41.3591 180.8552 56 G 3.9020 7.7258 103.5771 47.1512 0.0000 175.0657 57 A 4.1599 8.3531 123.2976 55.0310 18.5843 179.6437 58 A 4.8901 8.9272 118.0912 55.6920 18.8310 179.5104 59 L 4.2292 8.3383 118.1982 58.2696 41.7092 178.9337 60 I 3.9648 8.0715 119.2034 63.5320 37.5866 177.9856 61 G 2.0000 7.9073 105.5684 46.0760 0.0000 173.7666 62 A 3.9071 8.6522 124.4092 52.6666 18.1667 177.3053 63 I 3.6407 6.0965 116.4397 61.6861 38.4635 176.2286 64 A 3.6457 8.5410 126.5182 52.3840 14.5990 174.3372 65 P 4.1379 0.0000 0.0000 64.8578 32.8932 176.7588 66 K 4.4336 7.5701 118.1623 57.7550 34.8100 176.8397 67 T 4.5204 7.4677 111.8045 62.6221 75.5540 173.8049 68 P 4.3026 0.0000 0.0000 65.6474 31.8958 178.1396 69 L 4.0308 7.7663 119.8139 57.0441 41.6897 178.6599 70 R 3.7516 7.9794 117.5194 59.0840 29.6999 178.1655 71 Y 4.0714 7.8563 115.9128 60.6355 38.1531 177.8314 72 V 3.7170 7.7889 118.6844 65.9771 31.7722 177.4734 73 A 3.9973 8.0245 120.4330 55.7277 17.8051 179.2320 74 M 4.1650 7.8048 115.8414 58.9077 32.0417 179.4318 75 V 3.8366 7.9316 118.9237 65.0206 31.7138 178.2289 76 I 3.5574 7.8971 118.9279 63.0622 37.7409 176.5551 77 W 4.5505 8.5344 127.0082 58.1465 30.9105 176.4586 78 L 4.7179 7.6196 116.4503 58.1068 42.6574 177.1522 79 Y 4.2260 9.0599 120.7736 60.5639 38.7984 177.4025 80 S 4.3934 8.6954 113.8693 59.9899 63.2322 176.0134 81 A 4.3758 7.9099 124.9527 55.0115 19.2080 178.9580 82 F 4.0278 8.1082 119.0586 61.4176 39.4329 177.2778 83 R 3.3627 8.3570 118.0795 59.0934 29.8741 178.7867 84 G 2.5707 7.2188 104.7013 47.6403 0.0000 175.2221 85 V 3.3905 7.5280 121.5846 65.6687 31.5136 178.0890 86 Q 3.8009 7.4124 116.7522 59.0682 28.3225 178.6732 87 L 3.8354 7.6772 121.0088 57.9075 41.7999 179.6519 88 T 4.5860 8.0155 111.1725 64.1859 68.5521 175.8495 89 Y 3.9788 8.6456 123.5274 60.4945 38.9360 177.3391 90 E 3.5934 8.1321 118.0411 59.7162 29.4004 178.2864 91 H 3.9585 7.7822 117.8204 59.3742 29.4962 177.0598 92 T 4.0057 7.8447 117.1809 66.9069 68.6312 177.0009 93 M 3.5583 8.0678 120.8248 58.5147 31.9391 179.0585 94 L 4.4990 8.0939 114.5311 55.6821 42.0757 176.4603 95 Q 4.4347 8.5337 116.1999 57.8614 30.5161 177.7604 96 L 4.3570 7.5525 111.4289 55.3596 41.6275 177.3098 97 Y 4.8868 7.4886 117.1841 57.5239 41.0187 170.6790 98 P 4.7793 0.0000 0.0000 61.7137 33.4096 176.5520 99 S 4.6372 8.2900 114.9007 56.4838 64.3439 173.7920 100 P 3.9828 0.0000 0.0000 64.8248 31.3506 176.7710 101 F 4.4545 8.1160 116.1105 58.8658 40.2168 177.4426 102 A 3.5775 7.3234 122.1805 54.8922 17.6466 174.7014 103 T 3.9323 8.5118 113.8149 64.9775 74.8468 173.2109 104 C 3.3400 8.2235 117.3750 57.0191 40.4825 170.2279 105 D 4.2619 6.9637 119.6058 51.3384 43.9122 176.0618 106 F 4.8990 8.3508 118.4490 57.5463 40.3601 178.4267 107 M 3.0688 9.6527 128.2984 56.7096 32.1046 176.1868 108 V 3.8952 7.9420 110.2432 61.0565 33.4245 174.4794 *114 L 3.9891 8.2052 121.4519 54.8340 42.6113 175.2627 115 P 4.4934 0.0000 0.0000 62.0549 29.4279 175.9464 116 L 4.2600 7.9900 127.2104 56.5887 41.7022 177.7837 117 D 4.8039 8.2096 120.9635 58.2344 41.5779 179.0922 118 K 4.1705 7.6979 116.3911 58.8929 31.9015 178.8209 119 W 4.0029 7.7990 125.2183 58.1949 30.6018 175.8138 120 V 4.3595 7.5213 114.7287 61.8403 34.4132 171.0966 121 P 4.5948 0.0000 0.0000 65.2378 32.0659 177.4887 122 Q 4.3780 8.0762 117.8615 56.8515 28.9479 176.4204 123 V 4.6922 7.7791 112.3867 62.1349 33.6288 175.3578 124 F 4.7435 8.6004 118.1024 57.1826 39.5778 175.1947 125 V 4.3142 7.6386 120.7786 60.4509 32.6270 176.2721 126 A 4.6391 8.3516 124.6499 50.2037 19.4842 175.8075 127 S 4.7209 8.2818 118.7353 56.7797 62.5463 176.9370 128 G 3.9895 7.9453 112.0743 45.3292 0.0000 171.1783 129 D 5.0681 8.5823 124.3633 52.9904 39.6887 176.9005 130 C 3.8891 7.6494 119.0482 57.7171 37.1112 170.5736 131 A 4.6214 7.9961 124.2732 50.3150 20.3547 178.2576 132 E 4.3648 8.5882 127.7114 54.7853 28.9545 176.7708 133 R 4.6692 7.3372 112.9509 55.4129 32.5323 174.7946 134 Q 4.5968 8.4313 119.6801 54.6595 32.7058 174.8620 135 W 4.6354 8.8159 122.3126 56.0463 28.7709 176.7413 136 D 4.1624 7.9116 119.0277 55.4091 40.8070 176.9832 137 F 4.1412 8.7815 123.3309 59.1211 39.4555 175.0750 138 L 3.5866 8.9971 122.7386 56.4753 39.6353 175.3016 139 G 3.9295 8.6246 102.2818 45.2102 0.0000 174.0544 140 L 4.6747 7.1746 117.2350 52.5138 45.2335 176.5221 141 E 4.2060 8.7794 122.8700 55.9612 30.4025 177.4020 142 M 4.0935 8.5457 120.9574 58.6995 32.0517 177.5470 143 P 4.1684 0.0000 0.0000 65.9354 30.8385 178.0763 144 Q 3.9700 8.0161 120.4951 58.8486 29.1848 177.0414 145 W 4.2942 8.3050 119.5162 58.8373 28.8737 178.0349 146 L 3.6362 8.7410 119.1728 58.0929 41.2671 179.5304 147 L 4.6838 7.3258 120.9876 57.5827 42.2056 179.1703 148 G 3.7841 9.1452 106.7938 47.9450 0.0000 175.5561 149 I 3.5652 7.9409 116.0060 63.6197 37.2441 177.6427 150 F 4.0443 8.0049 118.4780 59.6780 38.8042 177.8646 151 I 3.9401 8.0929 119.9865 63.8846 36.6933 177.4351 152 A 4.4315 7.3670 116.8174 53.2660 17.8016 177.2478 153 Y 4.5438 7.6911 116.0886 58.7317 41.1098 177.8904 154 L 4.1588 8.1813 121.2105 57.9450 42.2791 178.6656 155 I 4.0601 8.5696 112.6230 62.2586 37.8584 177.6810 156 V 3.6722 8.8796 120.6700 64.4825 30.9503 179.5255 157 A 3.7000 6.5531 115.9009 54.1991 20.6015 179.2463 158 V 3.8644 8.4733 114.6099 64.6253 31.5619 177.1877 159 L 4.2038 7.4393 122.1145 56.3014 42.5152 177.7769 160 V 4.4341 8.4950 115.1051 62.9149 32.1719 175.3129 161 V 4.1688 7.6271 115.6965 63.6616 33.8257 175.3291 162 I 3.9112 7.7419 119.0022 61.1238 37.5377 176.1967 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 10 Q 8.33 4.39 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 11 G 7.80 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 12 R 8.92 4.30 0.00 1.92 2.01 0.00 3.13 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 13 G 7.95 3.57 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 0.00 14 A 7.99 3.93 1.06 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 15 W 7.85 4.61 0.00 3.33 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 16 L 8.17 3.64 0.00 2.19 1.81 1.00 0.65 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 17 L 8.42 4.01 0.00 1.79 1.77 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 M 8.15 4.19 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.11 0.00 19 A 9.27 4.22 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.27 4.43 0.00 3.30 3.30 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 21 T 8.33 3.88 4.47 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 1.28 0.00 0.00 22 A 8.07 4.16 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 23 L 7.27 4.00 0.00 1.74 1.48 0.97 0.77 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 24 A 7.23 4.16 1.10 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 25 L 7.68 4.68 0.00 1.52 1.47 0.63 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.08 3.47 0.00 1.99 1.77 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 1.94 2.02 0.00 27 L 7.74 4.21 0.00 1.75 1.71 0.91 0.86 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 28 T 7.88 3.78 4.43 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 1.20 0.00 0.00 29 A 8.83 4.54 1.43 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 30 L 7.74 4.14 0.00 2.10 1.88 1.09 1.02 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 31 W 8.61 4.46 0.00 3.15 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 32 F 7.90 3.94 0.00 3.37 3.05 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 0.00 0.00 0.00 33 Q 8.05 4.61 0.00 2.22 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 34 H 7.67 4.81 0.00 3.22 3.31 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.90 3.97 1.68 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 0.69 0.00 0.00 -0.90 0.00 0.00 36 M 6.87 4.19 0.00 2.10 1.63 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.43 0.00 37 L 7.30 3.69 0.00 1.55 1.59 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.41 3.63 0.00 2.19 1.81 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.27 3.96 0.00 1.73 1.84 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 40 P 0.00 4.35 0.00 2.25 2.13 0.00 3.65 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 2.02 2.04 0.00 41 S 8.08 4.51 0.00 4.02 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 42 V 7.37 3.00 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 0.62 0.00 0.00 0.95 0.00 0.00 43 L 8.49 4.25 0.00 1.88 1.66 0.80 0.49 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 44 C 8.63 4.60 0.00 3.05 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 45 I 7.74 3.64 1.76 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 1.72 0.44 0.97 0.00 0.00 46 Y 8.22 3.91 0.00 3.05 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 47 E 8.47 4.19 0.00 2.13 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 0.00 2.20 2.50 0.00 48 R 8.32 3.89 0.00 1.89 2.04 0.00 3.24 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 49 V 7.60 3.76 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 1.06 0.00 0.00 0.80 0.00 0.00 50 A 7.67 4.08 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 51 L 8.06 4.05 0.00 1.81 1.56 0.70 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.13 4.78 0.00 3.33 3.12 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 53 G 8.38 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 0.00 0.00 0.00 54 V 7.63 3.73 2.31 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 0.81 0.00 0.00 1.11 0.00 0.00 55 L 9.28 3.86 0.00 1.89 1.78 1.15 1.03 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 56 G 7.73 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 0.00 0.00 0.00 57 A 8.35 4.16 1.95 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 58 A 8.93 4.89 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 0.00 0.00 0.00 0.00 0.00 59 L 8.34 4.23 0.00 1.86 1.98 1.01 1.09 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 60 I 8.07 3.96 1.86 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 1.44 0.80 0.81 0.00 0.00 61 G 7.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.65 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 63 I 6.10 3.64 2.03 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 1.24 0.45 0.90 0.00 0.00 64 A 8.54 3.65 1.25 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 0.00 0.00 65 P 0.00 4.14 0.00 2.02 1.93 0.00 3.64 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 66 K 7.57 4.43 0.00 1.65 1.76 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.29 7.81 67 T 7.47 4.52 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 1.22 0.00 0.00 68 P 0.00 4.30 0.00 2.20 2.21 0.00 3.66 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 2.01 1.96 0.00 69 L 7.77 4.03 0.00 1.71 1.74 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.98 3.75 0.00 2.00 2.04 0.00 3.23 0.00 0.00 3.67 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 71 Y 7.86 4.07 0.00 3.06 3.05 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 0.00 0.00 0.00 72 V 7.79 3.72 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 1.05 0.00 0.00 0.95 0.00 0.00 73 A 8.02 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.80 4.16 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.89 0.00 75 V 7.93 3.84 2.16 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 0.93 0.00 0.00 1.01 0.00 0.00 76 I 7.90 3.56 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.46 1.11 0.00 0.00 77 W 8.53 4.55 0.00 3.75 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 78 L 7.62 4.72 0.00 2.15 1.78 0.98 0.82 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 79 Y 9.06 4.23 0.00 3.20 2.98 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 80 S 8.70 4.39 0.00 4.62 4.40 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 81 A 7.91 4.38 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 82 F 8.11 4.03 0.00 3.09 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 83 R 8.36 3.36 0.00 1.64 1.75 0.00 3.28 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.47 0.00 84 G 7.22 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 0.00 0.00 0.00 85 V 7.53 3.39 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 0.91 0.00 0.00 1.00 0.00 0.00 86 Q 7.41 3.80 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.59 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 87 L 7.68 3.84 0.00 1.64 1.64 1.01 0.28 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 88 T 8.02 4.59 4.47 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 1.21 0.00 0.00 89 Y 8.65 3.98 0.00 2.93 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 90 E 8.13 3.59 0.00 2.14 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 0.00 2.50 2.22 0.00 91 H 7.78 3.96 0.00 3.31 3.48 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.84 4.01 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 1.11 0.00 0.00 93 M 8.07 3.56 0.00 1.67 1.86 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.36 0.00 94 L 8.09 4.50 0.00 1.69 1.56 0.82 0.61 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 95 Q 8.53 4.43 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 96 L 7.55 4.36 0.00 2.04 1.80 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.49 4.89 0.00 3.19 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 98 P 0.00 4.78 0.00 2.10 2.10 0.00 3.41 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 1.90 2.01 0.00 99 S 8.29 4.64 0.00 4.07 4.05 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 0.00 0.00 0.00 100 P 0.00 3.98 0.00 0.79 1.68 0.00 3.49 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 1.74 1.93 0.00 101 F 8.12 4.45 0.00 3.01 3.09 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 0.00 102 A 7.32 3.58 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 0.00 103 T 8.51 3.93 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 1.14 0.00 0.00 104 C 8.22 3.34 0.00 3.06 3.12 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 0.00 105 D 6.96 4.26 0.00 2.64 2.47 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 0.00 106 F 8.35 4.90 0.00 3.03 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 0.00 107 M 9.65 3.07 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 108 V 7.94 3.90 2.16 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 0.83 0.00 0.00 1.00 0.00 0.00 *114 L 8.21 3.99 0.00 1.60 1.63 0.80 0.88 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 0.00 115 P 0.00 4.49 0.00 2.47 2.23 0.00 3.91 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 2.31 2.48 0.00 116 L 7.99 4.26 0.00 1.85 1.66 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.21 4.80 0.00 2.77 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 0.00 118 K 7.70 4.17 0.00 1.88 1.77 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 119 W 7.80 4.00 0.00 3.31 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 0.00 120 V 7.52 4.36 1.65 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 0.87 0.00 0.00 0.87 0.00 0.00 121 P 0.00 4.59 0.00 2.30 2.29 0.00 3.77 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 2.04 1.94 0.00 122 Q 8.08 4.38 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 123 V 7.78 4.69 2.32 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 1.27 0.00 0.00 1.21 0.00 0.00 124 F 8.60 4.74 0.00 3.19 3.27 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 0.00 125 V 7.64 4.31 2.25 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 0.82 0.00 0.00 0.99 0.00 0.00 126 A 8.35 4.64 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 0.00 127 S 8.28 4.72 0.00 3.83 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 0.00 128 G 7.95 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 0.00 129 D 8.58 5.07 0.00 2.86 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 0.00 130 C 7.65 3.89 0.00 3.23 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 0.00 131 A 8.00 4.62 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 0.00 132 E 8.59 4.36 0.00 1.91 1.91 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 2.26 2.33 0.00 133 R 7.34 4.67 0.00 1.90 1.83 0.00 3.13 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 134 Q 8.43 4.60 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.67 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 135 W 8.82 4.64 0.00 3.32 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 0.00 136 D 7.91 4.16 0.00 2.64 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 0.00 137 F 8.78 4.14 0.00 3.14 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 0.00 138 L 9.00 3.59 0.00 2.13 2.16 1.04 1.32 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 0.00 139 G 8.62 3.93 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 0.00 140 L 7.17 4.67 0.00 0.73 0.43 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.78 4.21 0.00 1.98 1.87 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 2.33 2.22 0.00 142 M 8.55 4.09 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 143 P 0.00 4.17 0.00 2.18 1.98 0.00 3.56 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 2.04 2.01 0.00 144 Q 8.02 3.97 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.02 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 145 W 8.31 4.29 0.00 3.51 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 0.00 146 L 8.74 3.64 0.00 1.90 1.92 1.03 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.33 4.68 0.00 1.86 2.00 0.97 1.18 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 0.00 148 G 9.15 3.78 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 0.00 0.00 0.00 149 I 7.94 3.57 1.59 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.57 0.87 0.00 0.00 150 F 8.00 4.04 0.00 3.35 2.98 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 0.00 151 I 8.09 3.94 1.99 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 1.49 1.02 0.95 0.00 0.00 152 A 7.37 4.43 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 0.00 153 Y 7.69 4.54 0.00 2.91 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 0.00 154 L 8.18 4.16 0.00 1.92 1.84 1.08 0.65 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 0.00 155 I 8.57 4.06 1.92 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 1.93 0.62 0.99 0.00 0.00 156 V 8.88 3.67 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 1.31 0.00 0.00 1.05 0.00 0.00 157 A 6.55 3.70 1.93 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 0.00 158 V 8.47 3.86 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 1.05 0.00 0.00 0.98 0.00 0.00 159 L 7.44 4.20 0.00 1.81 1.81 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 160 V 8.49 4.43 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 0.81 0.00 0.00 0.98 0.00 0.00 161 V 7.63 4.17 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 0.74 0.00 0.00 0.70 0.00 0.00 162 I 7.74 3.91 1.83 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 1.32 0.72 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.