NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7080 8.2714 118.2115 52.5693 39.1200 174.4462 12 G 3.4235 8.4876 103.7139 47.0727 0.0000 170.7682 13 V 3.5935 7.9967 120.3411 65.9761 32.1181 175.4825 14 H 4.0902 8.8440 118.3629 59.7543 29.6607 176.4849 15 D 4.3462 7.7959 119.9109 57.6057 40.1832 178.9359 16 F 4.1272 8.1434 120.6057 61.3081 39.3750 177.3547 17 I 3.7851 8.0191 119.5108 64.2945 36.9771 178.2985 18 L 3.9627 7.9202 119.8512 57.7074 41.3742 179.5540 19 V 3.4708 7.6043 117.9781 66.3575 31.5355 178.3775 20 R 3.8226 7.4886 116.5559 58.8862 29.7984 179.0246 21 A 3.9614 8.4396 121.3203 55.5147 18.4420 179.8691 22 T 3.9010 8.0019 107.9695 64.8082 68.5867 176.4178 23 A 3.9916 8.3047 123.8674 54.9430 18.3426 179.6311 24 I 3.6532 7.7219 118.1446 64.5134 37.2409 178.5506 25 V 3.7153 7.7377 118.9701 66.3876 31.3271 178.0584 26 L 4.1216 8.3744 118.8065 58.0633 41.3234 179.7337 27 T 3.9316 8.3195 115.9813 66.7050 68.4514 176.6476 28 L 4.1291 8.2721 120.9755 58.0182 41.5920 179.0466 29 Y 3.0045 8.1301 119.4889 60.3133 38.5925 178.0888 30 I 3.6127 8.0229 120.7752 64.3817 37.2628 178.1204 31 I 3.7104 7.9603 120.9287 64.9502 36.8807 177.7481 32 Y 4.1581 7.8952 119.8482 60.8063 38.5765 178.0030 33 M 3.9682 8.0731 119.7186 58.4915 32.1967 178.7849 34 V 3.7859 8.1683 118.8018 65.8979 31.3452 178.0681 35 G 3.6697 7.9332 104.6467 47.8288 0.0000 175.0165 36 F 4.0657 7.6566 123.6812 60.8834 39.1395 177.0183 37 F 3.6764 8.0007 115.5873 60.2868 38.8295 176.8524 38 A 4.3576 8.0276 117.8784 52.5436 19.8613 177.0732 39 T 4.6288 7.4662 106.7890 60.1446 68.5386 174.3798 40 S 4.4100 7.2224 111.4771 57.2295 66.7048 176.0214 41 G 3.7489 7.6762 109.3431 46.0336 0.0000 176.4206 42 E 3.8950 8.9468 127.0879 56.7013 29.5122 177.7331 43 L 4.3787 8.1341 127.5884 53.6588 40.6660 177.0922 44 T 4.1079 7.5265 115.3964 61.7227 69.8739 173.0407 45 Y 4.2985 8.8972 127.2981 61.3220 38.6883 178.5923 46 E 3.9173 8.1850 120.0193 59.2294 29.9007 179.0263 47 V 3.8646 7.8264 111.7518 63.4320 31.7399 178.3017 48 W 4.3305 8.2522 128.4463 60.7080 30.6805 177.9566 49 I 3.6294 8.0159 118.8486 63.8255 37.0764 178.1102 50 G 3.5676 7.7254 105.6900 47.5795 0.0000 175.2385 51 F 4.0770 8.1211 122.9030 60.7521 39.1675 176.6439 52 F 3.8317 7.7476 114.2689 58.1398 39.0786 176.8124 53 A 4.2684 7.7514 119.7892 52.0149 19.4035 177.5565 54 S 4.0062 6.9976 112.7896 57.7834 63.2566 174.3022 55 A 3.9127 8.9210 130.0029 55.4768 18.0321 179.0892 56 F 3.6915 8.2851 118.3426 61.9741 39.2789 177.4602 57 T 3.7916 7.3428 114.5307 66.3886 68.1305 176.6789 58 K 3.7807 7.8155 120.3726 59.5447 32.0332 179.3425 59 V 3.3751 7.7250 118.1869 66.1016 31.4899 177.7207 60 F 4.1575 7.9445 120.1982 61.5768 38.9399 177.3906 61 T 3.6152 8.0927 115.3311 66.5661 68.3496 176.7652 62 L 3.8942 7.7691 120.8465 57.5424 41.6191 179.0100 63 L 3.9971 8.2381 120.5440 58.5752 41.8589 179.1184 64 A 3.8940 7.8847 120.2157 54.9570 18.0985 179.6753 65 L 3.9379 8.0097 117.8648 57.8793 41.7208 179.5793 66 F 4.1221 8.7513 118.2040 60.6519 38.8869 177.6910 67 S 4.2399 8.3612 114.7108 61.9826 62.6767 176.9336 68 I 3.8486 8.0799 122.4243 64.1763 36.9085 177.9525 69 L 3.9993 8.0290 121.1723 58.4876 42.0065 179.2156 70 I 3.8539 7.9942 119.2134 64.6721 37.1877 177.8486 71 H 4.0807 8.9163 118.9805 59.5351 29.7954 177.2378 72 A 4.1657 8.5610 122.8958 54.6087 18.0953 179.4272 73 W 4.4661 8.2353 126.6356 60.8838 30.7770 177.9638 74 I 3.3441 7.6557 119.5038 64.2888 36.5935 178.1971 75 G 3.8748 8.0833 106.1865 48.5919 0.0000 175.3945 76 M 4.1538 8.6714 121.8442 57.4456 31.9093 178.7030 77 W 3.8115 8.0756 128.6812 60.4591 30.5885 177.9134 78 Q 3.5905 8.0385 116.6477 58.9386 28.3506 178.8971 79 V 3.6858 7.7619 119.0018 66.0613 31.5922 178.1371 80 L 4.0749 8.0370 119.1748 57.6040 41.2489 178.6284 81 T 3.9080 7.1822 106.7156 62.4421 68.8459 175.3723 82 D 4.2491 7.1874 121.7786 55.1560 41.5733 176.8183 83 F 4.7576 7.5345 115.2780 58.8335 40.9499 176.0910 84 V 3.9429 7.5918 122.2732 62.0984 30.0272 175.6954 85 K 4.1209 8.5041 126.0779 58.4580 32.6068 177.2939 86 P 4.3820 0.0000 0.0000 62.0662 32.8586 176.9825 87 L 3.8892 8.5347 123.9025 58.4367 42.2932 178.5704 88 A 3.9614 8.1373 120.0142 55.7869 18.1710 179.1154 89 L 3.9341 7.9018 117.2480 58.2420 42.1852 179.2527 90 R 3.9496 7.7929 118.5272 59.3956 30.0809 178.5176 91 L 4.1624 8.3178 118.9390 57.6763 41.5771 179.3687 92 M 4.0950 8.1371 119.0258 58.4519 31.9478 178.7470 93 L 4.0664 7.9751 119.1001 57.8990 41.7877 179.6170 94 Q 4.3667 8.4730 118.1966 58.7071 28.5776 178.4816 95 L 3.8035 7.9583 121.4137 58.1133 42.1103 178.9716 96 V 3.5302 7.8112 117.9949 66.2234 31.4509 177.8103 97 I 3.6713 8.2351 119.5888 64.4312 36.9251 178.5792 98 V 3.2200 8.0844 119.0594 65.8677 31.3565 177.8530 99 V 3.4172 7.7413 117.8873 66.0691 31.1703 177.4145 100 A 3.7530 8.0681 120.4776 55.5226 17.8801 179.7177 101 L 3.4920 7.5134 116.8649 57.6316 41.6140 180.0977 102 V 3.5102 7.9105 118.6997 65.7141 31.3428 178.2165 103 V 3.6223 8.1641 118.4568 66.3070 31.4058 177.3375 104 Y 4.3751 8.3184 116.8391 61.5224 37.7562 179.1970 105 V 3.6708 7.6790 118.6088 65.8645 31.7576 178.2915 106 I 3.7767 7.9167 119.6377 64.6172 37.0122 177.8208 107 Y 4.3319 9.2094 121.7618 60.5842 38.4770 178.3069 108 G 3.6110 8.2121 106.4550 47.8201 0.0000 175.7734 109 F 3.9302 8.4398 120.0865 59.8877 38.6995 178.1057 110 V 3.5643 7.6466 117.7547 65.9441 31.2202 177.7847 111 V 3.4289 7.0087 116.4819 66.5934 31.3290 178.1526 112 V 3.8572 7.4637 112.4493 64.3303 31.5665 179.0503 *113 W 4.2554 7.7317 122.3335 60.4943 28.0519 180.8185 114 G 4.3514 7.4949 103.8096 44.7746 0.0000 173.9459 115 V 4.0126 7.5373 126.0209 62.6756 31.9865 174.9132 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 11 N 8.27 4.71 0.00 2.96 3.05 0.00 0.00 6.02 6.31 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 12 G 8.49 3.42 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 0.00 13 V 8.00 3.59 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 1.05 0.00 0.00 0.89 0.00 0.00 14 H 8.84 4.09 0.00 3.31 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.80 4.35 0.00 3.00 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 16 F 8.14 4.13 0.00 3.26 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 17 I 8.02 3.79 1.93 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 1.70 0.77 0.94 0.00 0.00 18 L 7.92 3.96 0.00 1.70 1.68 0.71 0.56 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 19 V 7.60 3.47 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 0.87 0.00 0.00 0.81 0.00 0.00 20 R 7.49 3.82 0.00 1.66 1.83 0.00 2.21 0.00 0.00 2.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 21 A 8.44 3.96 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 22 T 8.00 3.90 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 1.32 0.00 0.00 23 A 8.30 3.99 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 24 I 7.72 3.65 2.06 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 1.43 0.75 0.96 0.00 0.00 25 V 7.74 3.72 2.27 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 1.16 0.00 0.00 1.02 0.00 0.00 26 L 8.37 4.12 0.00 1.80 1.75 0.89 0.66 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 27 T 8.32 3.93 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 1.26 0.00 0.00 28 L 8.27 4.13 0.00 2.21 2.15 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.13 3.00 0.00 2.64 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 30 I 8.02 3.61 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.67 0.93 0.00 0.00 31 I 7.96 3.71 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 1.01 0.00 0.00 32 Y 7.90 4.16 0.00 3.24 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 33 M 8.07 3.97 0.00 2.22 2.00 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 2.23 1.90 0.00 34 V 8.17 3.79 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 1.01 0.00 0.00 0.90 0.00 0.00 35 G 7.93 3.67 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 0.00 0.00 0.00 36 F 7.66 4.07 0.00 2.40 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 37 F 8.00 3.68 0.00 3.28 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 38 A 8.03 4.36 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 39 T 7.47 4.63 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 1.16 0.00 0.00 40 S 7.22 4.41 0.00 3.58 3.31 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 41 G 7.68 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 42 E 8.95 3.90 0.00 1.96 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 0.00 2.30 2.28 0.00 43 L 8.13 4.38 0.00 1.57 1.58 0.92 0.91 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 44 T 7.53 4.11 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 1.27 0.00 0.00 45 Y 8.90 4.30 0.00 3.15 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 46 E 8.19 3.92 0.00 2.18 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 2.35 2.42 0.00 47 V 7.83 3.86 2.21 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 0.92 0.00 0.00 1.09 0.00 0.00 48 W 8.25 4.33 0.00 3.48 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 49 I 8.02 3.63 1.35 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 1.35 1.06 0.77 0.00 0.00 50 G 7.73 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 51 F 8.12 4.08 0.00 2.76 2.71 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 52 F 7.75 3.83 0.00 2.75 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 53 A 7.75 4.27 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 54 S 7.00 4.01 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 55 A 8.92 3.91 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 56 F 8.29 3.69 0.00 3.11 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 57 T 7.34 3.79 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 0.16 0.00 0.00 58 K 7.82 3.78 0.00 1.83 1.74 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.46 7.81 59 V 7.73 3.38 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 0.84 0.00 0.00 0.82 0.00 0.00 60 F 7.94 4.16 0.00 2.81 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 61 T 8.09 3.62 4.38 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 1.34 0.00 0.00 62 L 7.77 3.89 0.00 1.63 1.70 0.12 0.07 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 63 L 8.24 4.00 0.00 1.78 1.99 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.88 3.89 0.49 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 65 L 8.01 3.94 0.00 1.82 1.69 0.92 1.38 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 66 F 8.75 4.12 0.00 3.24 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 67 S 8.36 4.24 0.00 4.09 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 68 I 8.08 3.85 2.10 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 1.47 0.80 1.07 0.00 0.00 69 L 8.03 4.00 0.00 1.78 2.04 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.99 3.85 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.98 0.00 0.00 71 H 8.92 4.08 0.00 3.29 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.56 4.17 1.53 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 0.00 0.00 73 W 8.24 4.47 0.00 3.44 3.37 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 74 I 7.66 3.34 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.39 0.85 0.00 0.00 75 G 8.08 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 0.00 0.00 0.00 76 M 8.67 4.15 0.00 2.14 2.40 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.96 0.00 77 W 8.08 3.81 0.00 2.13 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 78 Q 8.04 3.59 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 79 V 7.76 3.69 2.21 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 1.16 0.00 0.00 0.99 0.00 0.00 80 L 8.04 4.07 0.00 1.69 1.63 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.18 3.91 3.70 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 0.27 0.00 0.00 82 D 7.19 4.25 0.00 2.08 1.54 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 0.00 0.00 0.00 0.00 83 F 7.53 4.76 0.00 3.01 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 84 V 7.59 3.94 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 0.80 0.00 0.00 0.98 0.00 0.00 85 K 8.50 4.12 0.00 1.79 1.83 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.60 1.40 7.81 86 P 0.00 4.38 0.00 2.16 1.98 0.00 3.61 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 2.12 2.14 0.00 87 L 8.53 3.89 0.00 1.77 1.67 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.14 3.96 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 89 L 7.90 3.93 0.00 1.78 1.70 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.79 3.95 0.00 2.12 2.05 0.00 3.12 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 91 L 8.32 4.16 0.00 1.77 1.76 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.14 4.09 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 93 L 7.98 4.07 0.00 1.91 1.78 0.96 1.02 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 94 Q 8.47 4.37 0.00 2.43 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 3.08 2.73 0.00 95 L 7.96 3.80 0.00 1.86 1.85 0.86 0.64 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 V 7.81 3.53 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 1.05 0.00 0.00 0.95 0.00 0.00 97 I 8.24 3.67 2.12 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 1.48 0.63 1.14 0.00 0.00 98 V 8.08 3.22 1.78 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 0.70 0.00 0.00 -0.27 0.00 0.00 99 V 7.74 3.42 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 0.83 0.00 0.00 0.91 0.00 0.00 100 A 8.07 3.75 1.13 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 0.00 0.00 101 L 7.51 3.49 0.00 1.74 1.68 1.13 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.91 3.51 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 0.91 0.00 0.00 0.85 0.00 0.00 103 V 8.16 3.62 2.28 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 1.04 0.00 0.00 0.94 0.00 0.00 104 Y 8.32 4.38 0.00 3.24 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 0.00 105 V 7.68 3.67 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 0.56 0.00 0.00 0.69 0.00 0.00 106 I 7.92 3.78 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.93 0.94 0.00 0.00 107 Y 9.21 4.33 0.00 3.07 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 0.00 108 G 8.21 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 0.00 109 F 8.44 3.93 0.00 3.30 3.14 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 0.00 110 V 7.65 3.56 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 0.93 0.00 0.00 1.01 0.00 0.00 111 V 7.01 3.43 1.86 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 0.77 0.00 0.00 0.43 0.00 0.00 112 V 7.46 3.86 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 0.79 0.00 0.00 0.76 0.00 0.00 *113 W 7.73 4.26 0.00 2.54 2.21 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 0.00 114 G 7.49 4.35 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 0.00 115 V 7.54 4.01 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 0.82 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.