NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3175 8.3001 120.3237 54.9062 33.7110 174.8642 2 A 4.4337 7.7521 122.7531 49.0175 20.6688 175.4312 3 S 4.8415 9.1250 114.1695 56.7285 67.1931 172.8633 4 L 4.7060 9.4035 124.6288 54.7898 41.9408 174.4663 5 E 5.4658 8.8533 130.6321 56.2778 31.5232 176.8889 6 D 4.6234 8.5190 126.7081 54.4908 41.5653 176.6514 7 G 4.1282 8.2176 109.6081 46.5052 0.0000 170.8896 8 T 5.0787 7.6287 109.9374 61.3930 70.4689 173.6662 9 Y 5.2604 9.6095 121.7639 56.4274 43.2085 174.0803 10 R 5.3810 8.8807 119.0012 53.7467 33.6195 175.1814 11 L 5.2069 8.8783 122.5201 53.1042 44.5506 175.0499 12 R 4.4659 8.8223 124.9280 54.0338 32.2001 175.0543 13 A 2.6656 8.2845 129.4864 51.6468 18.8798 177.0163 14 V 4.1205 7.6711 123.4481 61.4690 34.7324 174.1679 15 T 4.8233 7.9935 114.2018 63.1692 72.6581 175.0419 16 T 3.8388 8.6613 118.1342 64.3655 67.4910 175.5124 17 S 4.5000 7.8878 114.1196 58.8521 64.1059 173.9534 18 N 4.9329 7.5321 119.2010 51.4203 38.4043 172.6125 19 P 4.4565 0.0000 0.0000 63.6143 31.9484 177.7991 20 D 4.5637 7.4785 117.7141 53.0442 41.9558 172.8531 21 P 4.3353 0.0000 0.0000 62.6905 32.2139 176.0828 22 G 3.8605 7.9344 103.5868 44.0768 0.0000 173.9656 23 V 3.9641 8.1206 113.1953 61.9654 33.3195 177.8441 24 G 3.8251 8.6174 108.1933 48.6696 0.0000 172.9703 25 G 3.8127 9.0093 109.2111 44.2341 0.0000 170.8828 26 E 5.1068 8.1930 115.8012 54.7900 33.5687 175.0005 27 Y 5.4866 9.2802 119.2444 55.8120 42.1791 174.8070 28 A 4.7431 9.1547 124.0744 52.5388 19.8115 176.6501 29 T 5.3944 9.6708 117.8411 60.0954 70.6473 173.6258 30 V 4.1490 8.5227 129.3864 61.3352 32.3107 175.8572 31 E 4.5657 8.5107 123.2316 55.7583 30.4321 175.8894 32 G 3.7821 8.3451 103.5871 44.6888 0.0000 173.6532 33 A 3.3065 7.6275 124.6317 53.1511 18.7030 177.4355 34 R 3.8981 8.9462 119.9945 57.2868 28.3448 175.9962 35 Q 4.7919 7.4267 114.2719 52.9818 32.3620 173.8690 36 P 4.5352 0.0000 0.0000 62.7466 32.2201 176.7746 37 V 3.8774 8.6606 124.2121 62.9657 32.7565 175.1242 38 K 5.0876 9.4065 126.1231 54.7161 35.5140 174.7834 39 A 5.2018 8.6658 124.6333 50.7611 20.2733 176.4344 40 E 4.5987 8.9946 121.3760 54.0368 34.5254 173.3778 41 P 5.0703 0.0000 0.0000 61.5542 32.7110 177.0906 42 S 4.4939 8.5521 116.4125 57.5846 60.5531 172.3761 43 T 4.8517 7.6495 113.6960 58.3895 72.6699 173.9279 44 P 4.2218 0.0000 0.0000 65.4627 31.3042 177.2601 45 P 4.1165 0.0000 0.0000 64.1520 31.4346 176.8640 46 F 4.8946 7.4093 115.0960 57.6511 41.5803 177.2191 47 F 4.0006 8.7405 123.6373 61.4475 39.0299 177.3581 48 E 4.0430 8.3358 117.1181 58.6888 29.5962 177.6761 49 R 4.4498 8.2820 117.8822 56.2215 29.8526 176.9390 50 Q 5.1664 7.7129 115.0595 54.9227 30.3506 174.6650 51 I 4.7150 7.3721 120.3499 59.5845 38.9950 175.1743 52 W 5.2410 9.1914 125.6376 54.9927 33.8198 173.7980 53 Q 4.9845 9.7038 125.9973 54.8076 30.3734 174.1771 54 V 4.9240 8.9334 126.9996 61.6201 34.1849 174.6320 55 T 5.0748 8.6244 123.5270 62.0204 72.9173 173.0353 56 R 4.2610 9.3544 128.3410 56.4544 30.8155 175.8300 57 N 4.9585 8.8011 125.1576 51.8793 41.1474 173.1483 58 S 4.3306 8.1762 114.0114 58.7801 63.0647 173.9528 59 D 4.7859 9.3886 128.0829 54.2562 40.3047 174.8992 60 G 3.9688 8.4470 122.3984 45.5435 0.0000 171.6573 61 Q 4.5728 7.7582 117.2507 54.6519 31.3735 176.9745 62 S 5.3641 8.9995 119.7892 57.4583 65.7553 173.2650 63 T 5.1045 8.7234 112.2121 60.2067 72.1120 173.6037 64 I 4.8162 8.2259 122.5216 59.7487 40.0637 174.3558 65 K 5.1952 9.4019 127.0596 54.5894 35.6786 174.8700 66 Y 4.4631 8.4358 124.3907 56.6408 39.4904 175.4959 67 Q 3.9000 7.5182 125.3691 55.8964 30.1314 174.0766 68 G 3.4992 9.3820 104.9788 44.8483 0.0000 174.4696 69 L 3.5376 8.5893 116.0362 54.2149 39.2739 177.8686 70 N 3.7414 7.3889 113.8162 53.4857 41.7430 175.1335 71 A 4.1352 8.4580 118.6873 52.2103 19.5492 177.0681 72 P 4.2938 0.0000 0.0000 62.7644 32.3592 177.3381 73 F 5.1436 7.0839 117.2163 57.0205 39.4180 175.7835 74 E 4.1565 8.2151 120.3533 56.1593 30.3090 176.3473 75 Y 5.0861 7.5746 122.1346 56.0126 41.4478 175.5033 76 G 4.8197 9.2018 106.2319 46.1019 0.0000 171.7468 77 F 4.7755 9.1009 119.0796 58.8059 39.6734 175.0535 78 S 5.0969 8.8694 116.9423 57.2008 65.6164 172.2943 79 Y 5.1340 7.7297 120.7727 55.5544 42.1783 174.0721 80 D 4.7019 9.0732 117.5069 55.1288 41.3235 177.4501 81 Q 4.2710 9.0325 117.4471 54.5629 31.4428 174.2217 *83 E 3.5312 8.1733 115.7931 55.4875 30.4913 174.7586 84 Q 3.7996 7.4240 119.3471 58.0373 28.9968 176.3317 85 N 4.2807 9.1839 120.6076 53.6972 37.0738 174.1913 86 A 4.3704 8.0264 121.5498 51.2744 19.5181 176.1115 87 P 4.7544 0.0000 0.0000 62.8018 32.5632 176.5520 88 V 3.7936 8.1993 122.5130 62.3995 33.7527 174.6671 *90 A 4.6817 8.4649 122.5504 51.8520 19.0695 175.2977 91 G 4.1199 8.9090 115.1613 45.6417 0.0000 169.4017 92 D 4.8204 8.9835 124.6168 53.6788 41.9276 174.4394 93 P 4.5516 0.0000 0.0000 63.4698 31.7888 176.1937 94 K 4.2558 8.8956 124.6152 55.1759 33.6807 176.4256 95 E 4.7517 8.3214 120.9587 56.1221 30.6312 175.5843 96 Y 5.0072 9.4388 120.4386 56.3414 42.8632 174.3279 97 I 4.6465 8.8886 122.0249 59.8484 39.3494 174.8169 98 L 5.0155 8.5182 127.5027 53.3060 43.1885 175.6961 99 Q 4.6240 9.0143 125.6942 53.7256 31.4412 174.3743 100 L 3.6055 8.6217 129.2343 55.2764 42.6241 176.7023 101 V 3.9913 8.4087 121.0011 59.9224 32.2450 174.7305 102 P 4.1825 0.0000 0.0000 64.3640 31.7182 176.2962 103 S 4.2224 9.4252 115.2540 59.1155 59.7439 168.9585 104 T 4.6936 7.3786 114.9211 62.2970 72.0766 173.8959 105 T 4.3852 8.4448 113.5955 62.5294 70.1080 175.4113 106 D 4.9857 7.7940 119.2169 53.5842 42.2869 174.1380 107 V 4.8258 7.6966 119.9641 62.1820 33.4409 174.1241 108 Y 5.1506 9.2609 125.0573 56.1934 41.9067 174.6715 109 I 4.5450 8.7467 124.3469 60.9659 39.0671 174.9929 110 I 4.6473 8.7853 127.6468 60.1602 38.7118 174.4876 111 R 5.2127 9.0052 127.1293 54.1765 32.5346 175.8399 112 A 4.3541 8.7062 126.3880 50.8781 18.9552 177.3201 113 P 4.5546 0.0000 0.0000 62.2604 29.2393 176.1404 114 I 4.5933 8.0737 128.0062 61.3230 39.2432 177.3638 115 Q 4.0535 8.3440 120.2278 58.6324 28.7207 178.6821 116 R 4.0314 7.9039 114.4573 57.9114 30.0806 177.4534 117 V 3.6710 7.2389 116.1930 63.8964 31.6972 176.8282 118 G 4.0345 8.9539 107.6159 45.2563 0.0000 173.3155 119 V 4.6185 7.0871 110.7773 59.4577 35.9174 174.5096 120 D 4.7169 9.1139 123.5780 53.2892 42.8007 175.6408 121 V 4.3305 8.2369 123.0191 61.1282 33.7691 173.9183 122 E 5.4351 9.2568 127.4780 54.3515 33.6350 175.6663 123 V 3.9636 8.9190 123.9042 63.2067 31.8272 174.8914 124 G 4.7423 9.4120 119.8135 45.1726 0.0000 170.8900 125 V 5.0528 8.3843 119.1207 61.3091 34.9630 175.2733 126 Q 4.4347 8.7188 127.0058 55.1825 32.7443 175.0972 127 G 3.9283 8.7233 115.5798 47.2328 0.0000 173.5104 128 N 5.1128 8.9113 120.1218 52.6529 40.4669 171.7182 129 N 5.4040 8.2559 116.1592 51.3232 41.8046 174.1525 130 L 4.6583 8.4146 123.3629 54.7661 43.0342 176.5707 131 V 4.8215 8.6506 115.9638 59.6087 36.8495 173.9694 132 Y 4.7950 8.8888 120.3570 57.5435 39.2129 174.8902 133 K 5.0102 9.7660 124.8421 54.7514 34.8119 175.1407 134 F 4.9312 10.0649 125.1093 56.0508 40.4394 175.4632 135 F 5.0470 9.0911 121.9842 54.9166 42.8015 172.9364 136 P 4.7927 0.0000 0.0000 62.5215 32.1495 175.9798 137 V 4.2986 8.4529 121.7786 62.3398 34.0900 175.6920 138 D 5.0210 8.6506 123.2097 53.8864 41.0939 175.5214 139 G 4.5757 7.9500 114.7563 46.4918 0.0000 173.4213 140 S 4.3615 8.9868 114.2577 57.8596 67.5433 175.2759 141 G 3.8372 8.2977 104.8572 45.4840 0.0000 172.1250 142 G 3.5785 8.1327 109.6403 45.2669 0.0000 172.4020 143 D 4.5273 8.4125 119.3341 53.6970 41.8799 175.6380 144 R 4.4831 8.3800 124.0649 53.4138 34.2786 172.7677 145 P 4.9747 0.0000 0.0000 62.2819 32.8878 174.8389 146 A 5.0015 8.3166 122.9762 50.2765 23.7671 174.4726 147 W 5.0376 9.4139 117.8297 54.9676 33.0794 175.2232 148 R 4.7348 9.0598 126.5859 56.1938 30.7961 175.2059 149 F 5.2084 9.7245 127.2305 56.6787 39.6696 175.2012 150 T 4.7912 8.8202 115.6634 59.4757 70.6054 174.2775 151 R 3.5763 8.9106 126.8692 56.2307 30.8860 175.6386 152 E 4.1668 8.4993 125.2781 56.5260 29.2349 176.3544 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 M 8.30 4.32 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 2 A 7.75 4.43 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 3 S 9.13 4.84 0.00 3.98 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 4 L 9.40 4.71 0.00 1.44 1.34 -0.06 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.85 5.47 0.00 2.11 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 0.00 2.12 2.09 0.00 6 D 8.52 4.62 0.00 2.63 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 7 G 8.22 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 0.00 0.00 0.00 0.00 8 T 7.63 5.08 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 1.17 0.00 0.00 9 Y 9.61 5.26 0.00 2.94 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 10 R 8.88 5.38 0.00 1.96 1.94 0.00 3.22 0.00 0.00 3.23 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 11 L 8.88 5.21 0.00 1.64 1.54 -0.19 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.82 4.47 0.00 1.25 1.53 0.00 2.91 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.70 0.00 13 A 8.28 2.67 0.65 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 0.00 0.00 14 V 7.67 4.12 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 0.61 0.00 0.00 0.77 0.00 0.00 15 T 7.99 4.82 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 1.25 0.00 0.00 16 T 8.66 3.84 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 1.27 0.00 0.00 17 S 7.89 4.50 0.00 4.02 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 18 N 7.53 4.93 0.00 2.63 2.61 0.00 0.00 6.98 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 19 P 0.00 4.46 0.00 2.17 2.09 0.00 3.39 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 20 D 7.48 4.56 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.03 2.03 0.00 3.64 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 22 G 7.93 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 0.00 0.00 0.00 23 V 8.12 3.96 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 0.75 0.00 0.00 0.96 0.00 0.00 24 G 8.62 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 0.00 0.00 0.00 25 G 9.01 3.81 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 0.00 0.00 0.00 26 E 8.19 5.11 0.00 1.84 1.81 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 2.34 2.33 0.00 27 Y 9.28 5.49 0.00 3.03 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 28 A 9.15 4.74 1.05 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 29 T 9.67 5.39 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 30 V 8.52 4.15 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 -0.43 0.00 0.00 0.86 0.00 0.00 31 E 8.51 4.57 0.00 1.88 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 2.21 2.34 0.00 32 G 8.35 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 33 A 7.63 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.95 3.90 0.00 1.87 2.00 0.00 3.28 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 35 Q 7.43 4.79 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 36 P 0.00 4.54 0.00 1.91 1.95 0.00 3.66 0.00 0.00 3.57 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 37 V 8.66 3.88 1.72 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 0.90 0.00 0.00 0.94 0.00 0.00 38 K 9.41 5.09 0.00 1.64 1.76 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.53 7.81 39 A 8.67 5.20 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 40 E 8.99 4.60 0.00 1.54 1.12 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 1.99 1.91 0.00 41 P 0.00 5.07 0.00 2.20 2.12 0.00 2.97 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 42 S 8.55 4.49 0.00 3.27 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 43 T 7.65 4.85 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 1.34 0.00 0.00 44 P 0.00 4.22 0.00 2.15 2.11 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 45 P 0.00 4.12 0.00 0.49 1.56 0.00 3.50 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 46 F 7.41 4.89 0.00 3.45 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 47 F 8.74 4.00 0.00 3.27 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 48 E 8.34 4.04 0.00 2.05 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 0.00 2.42 2.50 0.00 49 R 8.28 4.45 0.00 2.03 1.92 0.00 3.05 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 50 Q 7.71 5.17 0.00 1.89 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 51 I 7.37 4.71 1.67 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.19 0.83 0.00 0.00 52 W 9.19 5.24 0.00 3.20 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 53 Q 9.70 4.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 54 V 8.93 4.92 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 0.75 0.00 0.00 1.08 0.00 0.00 55 T 8.62 5.07 4.25 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 1.22 0.00 0.00 56 R 9.35 4.26 0.00 1.77 1.81 0.00 3.21 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 57 N 8.80 4.96 0.00 2.89 2.76 0.00 0.00 6.91 7.32 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 58 S 8.18 4.33 0.00 3.82 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 59 D 9.39 4.79 0.00 2.74 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 60 G 8.45 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.76 4.57 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 62 S 9.00 5.36 0.00 3.71 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 63 T 8.72 5.10 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 1.33 0.00 0.00 64 I 8.23 4.82 0.73 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 1.00 0.35 -0.19 0.00 0.00 65 K 9.40 5.20 0.00 1.69 1.73 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 66 Y 8.44 4.46 0.00 2.58 2.70 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 0.00 67 Q 7.52 3.90 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.15 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 68 G 9.38 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 0.00 0.00 0.00 69 L 8.59 3.54 0.00 1.78 2.06 1.17 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 70 N 7.39 3.74 0.00 2.90 2.61 0.00 0.00 6.91 7.84 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 71 A 8.46 4.14 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 72 P 0.00 4.29 0.00 1.26 1.85 0.00 2.65 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.80 0.00 73 F 7.08 5.14 0.00 3.04 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 74 E 8.22 4.16 0.00 1.99 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 2.52 2.22 0.00 75 Y 7.57 5.09 0.00 3.25 3.17 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 0.00 76 G 9.20 4.82 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 0.00 0.00 0.00 77 F 9.10 4.78 0.00 2.64 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 78 S 8.87 5.10 0.00 4.16 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 79 Y 7.73 5.13 0.00 2.74 2.54 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 80 D 9.07 4.70 0.00 2.63 2.41 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 81 Q 9.03 4.27 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 *83 E 8.17 3.53 0.00 1.90 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 0.00 2.21 2.19 0.00 84 Q 7.42 3.80 0.00 1.60 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 85 N 9.18 4.28 0.00 2.90 2.92 0.00 0.00 7.03 7.18 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 86 A 8.03 4.37 1.45 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 87 P 0.00 4.75 0.00 2.09 2.06 0.00 3.83 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 1.98 0.00 88 V 8.20 3.79 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 0.24 0.00 0.00 -0.10 0.00 0.00 *90 A 8.46 4.68 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 91 G 8.91 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 0.00 0.00 0.00 92 D 8.98 4.82 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.55 0.00 2.02 2.15 0.00 3.77 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.35 0.00 94 K 8.90 4.26 0.00 0.96 0.74 0.00 1.32 0.00 0.00 1.41 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.13 0.34 7.81 95 E 8.32 4.75 0.00 1.85 1.88 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 2.29 2.32 0.00 96 Y 9.44 5.01 0.00 2.90 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 97 I 8.89 4.65 1.93 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 1.30 0.83 0.94 0.00 0.00 98 L 8.52 5.02 0.00 1.34 1.44 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 9.01 4.62 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 100 L 8.62 3.61 0.00 1.45 1.41 0.79 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.41 3.99 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 0.67 0.00 0.00 0.85 0.00 0.00 102 P 0.00 4.18 0.00 2.13 2.00 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 103 S 9.43 4.22 0.00 4.01 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 0.00 104 T 7.38 4.69 4.32 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 1.16 0.00 0.00 105 T 8.44 4.39 4.28 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 1.22 0.00 0.00 106 D 7.79 4.99 0.00 3.13 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 0.00 107 V 7.70 4.83 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 0.81 0.00 0.00 0.92 0.00 0.00 108 Y 9.26 5.15 0.00 2.78 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 0.00 109 I 8.75 4.54 1.93 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 1.26 0.71 0.98 0.00 0.00 110 I 8.79 4.65 1.91 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.01 0.77 0.00 0.00 111 R 9.01 5.21 0.00 1.99 1.87 0.00 3.14 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 112 A 8.71 4.35 0.89 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 0.00 0.00 113 P 0.00 4.55 0.00 2.16 2.16 0.00 3.29 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 114 I 8.07 4.59 1.60 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.16 0.70 0.00 0.00 115 Q 8.34 4.05 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 116 R 7.90 4.03 0.00 1.78 1.98 0.00 3.19 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 117 V 7.24 3.67 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 0.75 0.00 0.00 0.91 0.00 0.00 118 G 8.95 4.03 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 0.00 0.00 0.00 119 V 7.09 4.62 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 0.84 0.00 0.00 0.90 0.00 0.00 120 D 9.11 4.72 0.00 2.76 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 0.00 121 V 8.24 4.33 1.79 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 0.77 0.00 0.00 -0.02 0.00 0.00 122 E 9.26 5.44 0.00 2.32 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 0.00 2.32 2.38 0.00 123 V 8.92 3.96 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 0.26 0.00 0.00 0.82 0.00 0.00 124 G 9.41 4.74 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 0.00 125 V 8.38 5.05 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 0.87 0.00 0.00 1.10 0.00 0.00 126 Q 8.72 4.43 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.54 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 127 G 8.72 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 0.00 128 N 8.91 5.11 0.00 2.67 2.89 0.00 0.00 6.65 6.92 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 0.00 129 N 8.26 5.40 0.00 2.82 2.65 0.00 0.00 7.08 6.20 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 0.00 130 L 8.41 4.66 0.00 1.31 1.11 0.96 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.65 4.82 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 0.81 0.00 0.00 0.99 0.00 0.00 132 Y 8.89 4.80 0.00 3.19 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 0.00 133 K 9.77 5.01 0.00 1.91 1.32 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.65 7.81 134 F 10.06 4.93 0.00 2.73 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 0.00 135 F 9.09 5.05 0.00 2.88 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 0.00 136 P 0.00 4.79 0.00 2.00 2.03 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 137 V 8.45 4.30 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 0.99 0.00 0.00 1.04 0.00 0.00 138 D 8.65 5.02 0.00 2.93 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 0.00 139 G 7.95 4.58 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 0.00 140 S 8.99 4.36 0.00 3.78 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 0.00 141 G 8.30 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 0.00 0.00 0.00 142 G 8.13 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 0.00 143 D 8.41 4.53 0.00 2.66 2.59 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 0.00 144 R 8.38 4.48 0.00 1.54 1.61 0.00 2.21 0.00 0.00 2.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 145 P 0.00 4.97 0.00 2.29 2.13 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 146 A 8.32 5.00 1.21 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 0.00 0.00 147 W 9.41 5.04 0.00 3.56 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 0.00 148 R 9.06 4.73 0.00 1.94 1.82 0.00 3.13 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 149 F 9.72 5.21 0.00 2.89 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 0.00 150 T 8.82 4.79 4.39 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 1.39 0.00 0.00 151 R 8.91 3.58 0.00 1.65 1.80 0.00 2.43 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 152 E 8.50 4.17 0.00 1.94 1.75 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 2.26 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.