NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9083 8.0544 120.3923 62.9312 31.8075 173.7241 2 H 4.4716 7.9513 119.8595 53.3640 30.0679 171.5021 3 L 4.3031 7.8245 126.7193 53.6591 43.7211 177.0655 4 T 4.2242 8.1063 112.8976 60.3340 70.0312 174.3302 5 P 4.5672 0.0000 0.0000 62.2360 30.9188 178.8789 *7 E 4.2339 8.3921 118.4618 56.5169 31.8807 178.6068 8 K 3.7810 8.0311 118.0234 59.6310 32.0334 179.1599 9 S 4.0662 7.9087 112.4001 61.3960 62.3041 176.1288 10 A 3.9992 7.8147 122.9160 55.0346 18.1984 179.5855 11 V 3.5587 7.9161 116.8345 66.5655 31.7090 178.4584 12 T 3.9826 7.8712 114.9472 66.4324 68.0284 176.5612 13 A 4.0296 7.8239 121.7653 55.1836 18.8014 179.1246 14 L 3.9676 7.8883 118.4070 58.1083 42.1914 178.9839 15 W 4.4416 8.7317 128.5041 60.3470 30.4155 177.9849 16 G 3.8720 8.1760 104.5793 46.6992 0.0000 174.0455 17 K 4.4519 7.7559 118.2538 56.0324 32.8186 176.2329 18 V 3.7173 7.2888 120.2534 61.7202 32.1764 175.9503 19 N 4.4415 8.1999 125.4816 52.6189 38.5841 175.3433 20 V 3.4698 8.0020 128.2389 65.6913 31.8673 177.1487 21 D 4.3276 8.0532 118.2003 57.4673 40.7854 178.5699 22 E 3.8742 8.3958 118.7764 59.5083 29.4553 179.6991 23 V 3.6223 7.8603 118.4644 65.6149 31.4986 178.3269 24 G 3.6645 8.3848 105.9724 47.8048 0.0000 175.9366 25 G 3.6044 7.8955 108.3774 47.3638 0.0000 175.4217 26 E 3.9085 8.3043 121.4855 58.7449 29.6563 178.7841 27 A 3.9227 8.1539 121.0488 55.1118 18.5660 179.4365 28 L 3.9830 7.9417 119.0847 58.0100 42.2746 179.1449 29 G 3.6657 7.9751 105.7604 48.1859 0.0000 175.8830 30 R 3.9117 8.0983 120.9593 58.3830 29.9673 178.7921 31 L 4.0183 7.9362 120.3487 58.4461 42.1476 179.2137 32 L 4.1280 7.7232 119.2736 56.5734 41.2648 179.6532 33 V 3.5532 7.3181 117.5292 65.7789 31.6861 177.9391 34 V 3.5312 7.7252 117.0323 64.2553 32.8885 175.6613 35 Y 3.7854 7.0974 116.2409 54.5957 37.7241 174.3167 36 P 4.8360 0.0000 0.0000 64.0622 31.9910 178.4050 37 W 4.3705 8.1157 116.9817 59.5838 28.1025 177.7503 38 T 4.2070 7.5844 110.3439 64.0577 68.0364 176.0070 39 Q 4.4197 8.1792 121.4340 58.1797 28.4258 178.1367 40 R 3.7321 7.5192 116.5492 59.0908 29.1793 177.9755 41 F 4.2853 7.0802 114.4910 57.7244 39.3616 175.7912 42 F 4.5693 7.9338 118.5578 56.6462 39.9247 177.1574 43 E 4.0511 8.3738 121.8764 59.4040 29.4332 178.6712 44 S 4.3948 7.9971 112.0206 59.9715 63.2625 174.6928 45 F 4.6570 8.2424 119.4795 58.4851 40.0298 176.3983 46 G 3.9973 7.5459 107.4905 44.5468 0.0000 175.8154 47 D 4.4691 8.6838 128.0728 54.3965 40.6132 175.2445 48 L 4.9066 8.2932 127.6547 54.5481 42.9164 178.1099 49 S 4.3642 8.1876 114.8529 60.3670 63.6562 174.2536 50 T 4.6700 7.4039 113.8431 58.6578 71.5344 171.9587 51 P 4.2097 0.0000 0.0000 66.1134 31.3930 178.6251 52 D 4.3140 8.1247 116.5948 57.3035 40.4997 178.6999 53 A 3.9731 7.8368 119.9099 54.9785 18.6710 179.4060 54 V 3.6789 8.0335 116.9897 66.6224 31.4730 178.2125 55 M 4.1749 8.1773 117.2955 57.7310 31.8645 178.0532 56 G 4.0472 7.7048 102.8434 43.3078 0.0000 173.1066 57 N 4.4647 7.6076 121.7111 52.3880 39.4284 173.8732 58 P 4.2417 0.0000 0.0000 66.0226 31.1863 178.5608 59 K 3.6946 8.1526 118.1931 58.6637 31.8444 179.4845 60 V 3.6447 7.7739 118.1730 65.9220 31.5517 178.0314 61 K 3.8947 8.0524 117.9160 59.4216 31.9697 179.1458 62 A 3.9547 7.8960 120.9470 55.5075 18.2096 179.2401 63 H 4.3670 8.3789 116.9010 59.1673 29.9891 177.5212 64 G 3.6808 8.2642 107.7486 47.8116 0.0000 175.4071 65 K 3.9596 8.0559 122.1059 59.0019 32.1757 178.8000 66 K 3.9630 7.9250 119.3390 59.5167 32.1893 178.9200 67 V 3.6466 7.9986 118.7695 66.2218 31.4476 178.0427 68 L 4.3817 8.2510 118.5929 57.2981 41.4702 179.5988 69 G 3.7673 8.3830 106.0047 47.9337 0.0000 175.6544 70 A 4.1239 8.0804 123.0181 54.5901 18.1761 179.2852 71 F 4.1969 8.2458 118.5174 61.7946 39.7468 177.2117 72 S 4.1894 8.6474 114.6347 61.8807 62.8219 176.4279 73 D 4.4938 8.2470 121.4909 57.3717 40.5002 179.1518 74 G 3.5862 7.8415 105.6031 47.4917 0.0000 175.1896 75 L 3.9546 7.3213 118.5690 56.0527 41.6414 177.9554 76 A 4.3876 7.4592 119.6635 52.1434 19.5584 176.5885 77 H 4.9106 8.1086 115.5466 55.1852 29.8961 175.8288 78 L 3.8755 8.0580 120.4888 57.5811 41.8157 178.2519 79 D 4.6727 7.8955 115.6958 54.4363 41.6760 176.2958 80 N 5.0102 8.1303 118.6717 51.3516 39.5453 175.5297 81 L 4.1099 7.8943 121.3756 57.8673 41.9725 179.5058 82 K 4.1114 8.0060 117.5268 59.2637 32.1919 179.0367 83 G 3.7600 8.0807 105.5342 48.2732 0.0000 175.7004 84 T 3.7980 7.4568 114.2309 63.6973 67.5492 175.3766 85 F 4.6628 7.8623 117.6332 57.1282 39.2054 177.3424 86 A 4.0782 7.5968 121.9809 55.5360 18.2995 180.3536 87 T 3.8151 7.8421 113.6228 66.9837 68.6891 176.8407 88 L 4.1735 7.9736 120.1114 57.4298 41.6370 179.4646 89 S 4.3992 8.2324 114.8412 60.9437 62.3701 175.6956 90 E 3.8313 8.0094 121.5706 59.1171 29.3251 178.5119 91 L 3.8933 7.8396 119.9321 58.6676 42.2481 178.8075 92 H 4.2417 8.3909 116.0701 58.6950 27.6800 177.4472 93 C 3.3998 7.6632 120.6993 62.1640 31.1398 174.8642 94 D 4.5390 7.8761 118.0993 55.7924 41.1466 177.0862 95 K 4.2221 7.7503 117.4520 57.4823 33.0725 177.4348 96 L 4.2958 7.7003 116.1986 54.3881 42.8521 175.8318 97 H 4.1252 7.0544 115.2053 56.6851 26.5979 175.4066 98 V 3.9914 7.7669 118.2121 60.7851 32.4310 174.7622 99 D 4.3457 8.8423 127.2479 54.0667 41.5293 175.3144 100 P 3.3460 0.0000 0.0000 64.3481 31.8526 177.8028 101 E 3.8740 8.1780 119.2672 59.4024 29.2594 178.4354 102 N 4.2787 7.8619 116.4870 56.2738 38.5202 177.2896 103 F 4.4568 7.4632 119.2247 60.4721 39.0545 177.7455 104 R 3.9277 7.9440 118.0016 59.3314 30.0482 178.2956 105 L 3.8322 7.7706 118.7875 57.7680 41.4871 179.3600 106 L 4.1226 8.1444 120.4035 57.9181 42.0060 179.1498 107 G 3.6433 8.1183 105.8224 48.0000 0.0000 175.4694 108 N 4.4958 8.1909 118.5641 55.7797 38.5111 177.7959 109 V 3.6250 7.8534 119.8251 65.7950 31.5859 177.6163 110 L 3.8671 8.1488 120.3983 58.3169 41.8556 179.0551 111 V 3.5888 7.7778 117.9028 66.3907 31.4401 177.7752 112 C 4.1189 7.9820 115.8963 62.7095 27.9455 176.3014 113 V 3.5293 7.9168 119.9180 65.9366 31.0663 178.0331 114 L 3.8506 7.8812 118.5949 57.7197 41.3980 179.4636 115 A 3.7189 7.3265 120.6205 55.1526 18.0568 179.1793 116 H 4.1276 8.0011 115.9598 59.5384 30.0001 176.8378 117 H 4.0121 7.9202 118.8380 59.1753 29.9852 176.8120 118 F 4.4881 8.4410 118.3496 56.9680 39.5165 177.2024 119 G 3.9316 8.6948 108.2854 46.0511 0.0000 177.4702 120 K 4.0559 8.9124 122.3601 59.3460 32.4436 177.8513 121 E 4.0295 7.8926 120.1814 58.8080 29.9029 177.1833 122 F 4.5053 8.0535 122.7114 57.0400 37.8176 175.2371 123 T 4.1867 7.3477 115.6942 60.1169 71.3466 173.5241 124 P 4.1538 0.0000 0.0000 65.6009 31.3718 177.1752 125 P 4.2241 0.0000 0.0000 65.4227 31.2222 178.8794 126 V 3.5303 7.4058 117.3279 65.8243 31.3293 177.7471 127 Q 3.5593 7.6444 119.1580 59.1106 28.9103 178.2388 128 A 3.9793 7.9321 121.4325 55.1058 18.5022 179.4674 129 A 3.9099 7.8583 118.7356 55.6576 18.4091 179.5751 130 Y 3.9189 8.2116 115.2065 61.0665 37.8720 178.6942 131 Q 4.1011 8.6424 119.6336 58.8742 28.8357 178.8014 132 K 3.9280 7.9370 119.0360 59.4157 32.0795 179.5142 133 V 3.4737 7.5900 117.8046 66.2271 31.5253 178.5727 134 V 3.8176 8.2280 112.1444 64.2988 31.3067 178.5171 135 A 4.1148 8.2187 120.8410 55.1039 18.2724 179.8988 136 G 3.5137 8.1482 104.2980 47.8629 0.0000 176.1767 137 V 3.2847 7.9414 120.3858 65.4867 31.6168 177.9371 138 A 3.8986 7.9110 120.5191 55.3560 18.0237 179.3510 139 N 4.2832 8.1030 113.5348 56.3668 38.7800 177.2384 140 A 4.1469 8.0042 122.1536 55.2119 18.5972 179.7644 141 L 3.8705 7.8768 117.1669 57.3695 41.4220 179.0901 142 A 4.2152 8.0170 119.9420 54.0017 18.3880 178.8930 143 H 4.1759 7.8985 116.8087 58.8157 30.0376 176.0660 144 K 4.4616 8.2628 116.2221 56.1996 32.2236 176.4525 145 Y 4.1346 7.8265 117.7383 58.6709 38.3854 176.0251 146 H 4.4455 8.2905 117.4706 56.2276 28.1906 173.3523 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 1 V 8.05 3.91 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 0.95 0.00 0.00 0.91 0.00 0.00 2 H 7.95 4.47 0.00 3.19 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.82 4.30 0.00 1.55 1.48 0.84 0.81 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 4 T 8.11 4.22 4.23 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 0.00 0.00 0.00 1.23 0.00 0.00 5 P 0.00 4.57 0.00 2.18 2.09 0.00 3.60 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 2.10 2.09 0.00 *7 E 8.39 4.23 0.00 2.14 1.97 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 2.26 2.32 0.00 8 K 8.03 3.78 0.00 1.90 1.81 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.48 7.81 9 S 7.91 4.07 0.00 3.89 3.85 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 10 A 7.81 4.00 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 11 V 7.92 3.56 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 0.62 0.00 0.00 0.54 0.00 0.00 12 T 7.87 3.98 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 1.26 0.00 0.00 13 A 7.82 4.03 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 14 L 7.89 3.97 0.00 1.81 1.94 -0.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.73 4.44 0.00 3.81 3.20 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 16 G 8.18 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 17 K 7.76 4.45 0.00 2.12 2.05 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.41 7.81 18 V 7.29 3.72 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 0.02 0.00 0.00 0.89 0.00 0.00 19 N 8.20 4.44 0.00 2.66 2.54 0.00 0.00 6.85 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 20 V 8.00 3.47 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 1.24 0.00 0.00 0.86 0.00 0.00 21 D 8.05 4.33 0.00 2.96 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 22 E 8.40 3.87 0.00 2.02 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 2.25 2.34 0.00 23 V 7.86 3.62 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 1.01 0.00 0.00 0.71 0.00 0.00 24 G 8.38 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 25 G 7.90 3.60 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 0.00 0.00 0.00 26 E 8.30 3.91 0.00 2.12 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 2.25 2.32 0.00 27 A 8.15 3.92 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 28 L 7.94 3.98 0.00 1.77 1.63 0.87 1.06 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 29 G 7.98 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 30 R 8.10 3.91 0.00 1.90 1.93 0.00 3.10 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 31 L 7.94 4.02 0.00 1.90 1.88 0.99 0.64 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 32 L 7.72 4.13 0.00 1.90 1.67 0.96 0.62 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 33 V 7.32 3.55 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 0.71 0.00 0.00 0.91 0.00 0.00 34 V 7.73 3.53 1.59 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 -0.07 0.00 0.00 0.75 0.00 0.00 35 Y 7.10 3.79 0.00 2.55 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 36 P 0.00 4.84 0.00 2.30 2.27 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 37 W 8.12 4.37 0.00 3.55 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 38 T 7.58 4.21 4.42 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 1.10 0.00 0.00 39 Q 8.18 4.42 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 40 R 7.52 3.73 0.00 1.67 1.98 0.00 3.00 0.00 0.00 2.68 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.50 0.00 41 F 7.08 4.29 0.00 1.73 2.34 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 42 F 7.93 4.57 0.00 2.87 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 0.00 0.00 0.00 0.00 43 E 8.37 4.05 0.00 2.13 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 2.35 2.24 0.00 44 S 8.00 4.39 0.00 4.13 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 45 F 8.24 4.66 0.00 3.21 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 46 G 7.55 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.68 4.47 0.00 2.65 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 48 L 8.29 4.91 0.00 1.66 1.63 1.05 1.05 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 49 S 8.19 4.36 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 4.67 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 51 P 0.00 4.21 0.00 2.17 2.07 0.00 3.64 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 2.09 2.17 0.00 52 D 8.12 4.31 0.00 2.67 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 53 A 7.84 3.97 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 54 V 8.03 3.68 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 1.03 0.00 0.00 1.01 0.00 0.00 55 M 8.18 4.17 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.86 0.00 56 G 7.70 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 0.00 0.00 0.00 57 N 7.61 4.46 0.00 2.95 2.84 0.00 0.00 6.90 8.92 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 58 P 0.00 4.24 0.00 2.23 2.26 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 59 K 8.15 3.69 0.00 1.52 0.74 0.00 1.55 0.00 0.00 1.27 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.15 1.24 7.81 60 V 7.77 3.64 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 1.03 0.00 0.00 1.03 0.00 0.00 61 K 8.05 3.89 0.00 1.94 1.80 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.59 7.81 62 A 7.90 3.95 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 63 H 8.38 4.37 0.00 3.51 3.48 0.00 5.80 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 64 G 8.26 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 0.00 0.00 0.00 65 K 8.06 3.96 0.00 1.85 1.99 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.47 7.81 66 K 7.92 3.96 0.00 1.93 1.99 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.51 7.81 67 V 8.00 3.65 2.15 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 1.03 0.00 0.00 0.90 0.00 0.00 68 L 8.25 4.38 0.00 2.05 1.86 1.14 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.38 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 70 A 8.08 4.12 1.49 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 71 F 8.25 4.20 0.00 3.08 3.41 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 72 S 8.65 4.19 0.00 4.29 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 0.00 73 D 8.25 4.49 0.00 2.82 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 74 G 7.84 3.59 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 0.00 0.00 0.00 0.00 75 L 7.32 3.95 0.00 1.48 1.47 -0.12 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.46 4.39 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 77 H 8.11 4.91 0.00 3.19 3.15 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.06 3.88 0.00 1.54 1.64 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.90 4.67 0.00 2.62 2.66 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 80 N 8.13 5.01 0.00 2.72 2.63 0.00 0.00 7.18 6.95 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 81 L 7.89 4.11 0.00 1.75 1.83 0.89 0.80 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 82 K 8.01 4.11 0.00 1.68 1.83 0.00 1.64 0.00 0.00 1.35 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.44 7.81 83 G 8.08 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 0.00 0.00 0.00 84 T 7.46 3.80 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 0.50 0.00 0.00 85 F 7.86 4.66 0.00 3.21 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 86 A 7.60 4.08 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 87 T 7.84 3.82 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 88 L 7.97 4.17 0.00 1.87 1.85 1.10 0.91 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 89 S 8.23 4.40 0.00 4.12 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 90 E 8.01 3.83 0.00 2.13 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 2.31 2.35 0.00 91 L 7.84 3.89 0.00 1.85 1.84 0.91 0.88 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 92 H 8.39 4.24 0.00 3.63 3.73 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.66 3.40 0.00 1.23 2.46 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 94 D 7.88 4.54 0.00 2.60 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 95 K 7.75 4.22 0.00 1.86 1.80 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.51 7.81 96 L 7.70 4.30 0.00 1.70 1.63 0.69 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.05 4.13 0.00 3.56 3.40 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.77 3.99 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 0.20 0.00 0.00 0.38 0.00 0.00 99 D 8.84 4.35 0.00 2.78 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 0.00 100 P 0.00 3.35 0.00 1.95 1.90 0.00 3.37 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.53 0.00 101 E 8.18 3.87 0.00 2.04 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 0.00 2.32 2.40 0.00 102 N 7.86 4.28 0.00 2.51 2.71 0.00 0.00 6.92 8.29 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 0.00 103 F 7.46 4.46 0.00 3.09 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.94 3.93 0.00 1.93 1.91 0.00 3.23 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 105 L 7.77 3.83 0.00 1.78 1.38 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.14 4.12 0.00 1.82 1.72 0.93 1.01 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 0.00 107 G 8.12 3.64 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 0.00 0.00 0.00 108 N 8.19 4.50 0.00 2.84 2.95 0.00 0.00 6.67 7.02 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 0.00 109 V 7.85 3.63 2.13 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 1.13 0.00 0.00 1.10 0.00 0.00 110 L 8.15 3.87 0.00 1.77 1.81 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.78 3.59 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 1.32 0.00 0.00 1.19 0.00 0.00 112 C 7.98 4.12 0.00 3.20 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 0.00 113 V 7.92 3.53 2.13 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 0.94 0.00 0.00 0.92 0.00 0.00 114 L 7.88 3.85 0.00 1.10 1.14 0.78 0.71 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 0.00 115 A 7.33 3.72 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 0.00 116 H 8.00 4.13 0.00 3.17 3.41 0.00 5.78 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.92 4.01 0.00 2.88 2.92 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.44 4.49 0.00 3.25 3.06 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 0.00 119 G 8.69 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 0.00 120 K 8.91 4.06 0.00 1.91 2.01 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.41 7.81 121 E 7.89 4.03 0.00 2.00 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 0.00 2.25 2.26 0.00 122 F 8.05 4.51 0.00 3.07 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 0.00 123 T 7.35 4.19 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 1.29 0.00 0.00 124 P 0.00 4.15 0.00 2.15 2.14 0.00 3.58 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 2.11 2.19 0.00 125 P 0.00 4.22 0.00 2.11 2.07 0.00 3.54 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 2.08 2.11 0.00 126 V 7.41 3.53 1.96 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 0.84 0.00 0.00 0.87 0.00 0.00 127 Q 7.64 3.56 0.00 1.70 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 128 A 7.93 3.98 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 0.00 129 A 7.86 3.91 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 0.00 130 Y 8.21 3.92 0.00 3.22 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 0.00 131 Q 8.64 4.10 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 132 K 7.94 3.93 0.00 1.99 1.83 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.58 7.81 133 V 7.59 3.47 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 0.82 0.00 0.00 0.67 0.00 0.00 134 V 8.23 3.82 2.18 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 0.98 0.00 0.00 1.13 0.00 0.00 135 A 8.22 4.11 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 0.00 136 G 8.15 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.94 3.28 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 0.52 0.00 0.00 0.69 0.00 0.00 138 A 7.91 3.90 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 0.00 139 N 8.10 4.28 0.00 2.74 2.89 0.00 0.00 7.06 6.86 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 0.00 140 A 8.00 4.15 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 0.00 141 L 7.88 3.87 0.00 1.03 0.73 -0.07 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.02 4.22 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 0.00 143 H 7.90 4.18 0.00 3.27 3.52 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.26 4.46 0.00 1.87 1.87 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.60 7.81 145 Y 7.83 4.13 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 0.00 146 H 8.29 4.45 0.00 3.21 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.