NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.8889 8.3393 109.7364 45.4784 0.0000 172.2218 2 D 4.4670 8.3723 120.4720 53.3252 36.6926 173.1660 3 T 4.4498 7.9219 113.3729 60.6101 71.5614 172.6310 4 S 4.7025 8.1262 115.3125 55.3052 67.2556 172.7440 5 P 4.3239 0.0000 0.0000 65.9313 31.0756 178.8650 6 A 4.0065 7.9976 118.9425 55.1495 18.3037 179.6304 7 Q 3.9107 7.7882 115.2762 59.0066 28.8186 178.7734 8 L 3.7572 8.0216 120.0114 57.7843 41.6181 179.6125 9 I 3.8089 8.0206 119.6296 64.3594 37.0665 178.2661 10 A 4.3788 7.4869 123.0428 54.6564 18.2515 179.9853 11 G 3.4298 7.9647 104.1782 48.1024 0.0000 175.6510 12 Y 4.4068 7.8933 119.1433 60.8320 37.3661 178.2106 13 E 4.0788 8.7834 119.8917 59.3238 29.3401 179.1809 14 A 4.0079 7.9563 119.5434 55.2810 18.5515 179.3369 15 A 4.0950 7.8848 117.7234 54.9776 18.5353 179.2800 16 A 4.2180 8.2431 118.6724 52.7842 18.6522 178.6616 17 G 3.8479 9.3257 104.3426 45.6113 0.0000 173.0844 18 A 4.6037 7.4399 119.1920 49.8750 21.8857 175.3979 19 P 4.5153 0.0000 0.0000 62.2253 32.0922 176.6118 20 A 4.2185 9.1233 124.5847 52.1880 19.0282 177.7605 21 D 4.7786 9.3750 120.4621 52.0385 43.2990 176.7756 22 A 4.1712 8.5763 130.2247 55.2700 18.5214 178.7675 23 E 3.9361 8.2833 116.8237 59.5810 29.5127 179.7762 24 R 4.0072 8.2031 117.8953 58.9977 30.0991 179.1665 25 G 3.5933 8.0251 105.6877 47.6648 0.0000 175.6822 26 R 2.5100 7.9714 121.4218 58.5089 29.6785 178.4270 27 A 3.8484 7.4358 119.1720 54.9760 18.5035 179.0985 28 L 3.9803 7.9030 118.8168 58.1957 41.6251 178.8725 29 F 3.9720 8.3490 120.9004 61.1351 39.1395 176.4645 30 L 4.1872 7.7678 115.9777 54.6978 41.9529 177.3563 31 S 4.2852 6.9075 113.6603 58.3947 63.6460 173.4899 32 T 4.5854 8.1653 117.8953 62.1133 69.6416 174.4497 33 Q 4.7347 9.0192 125.8080 54.3831 31.2829 175.6911 34 T 4.4578 8.3639 108.8596 61.5656 70.1405 175.1651 35 G 3.8769 8.0585 110.9426 46.4374 0.0000 173.8252 36 G 4.3698 7.4477 108.8705 45.1287 0.0000 174.3532 37 K 4.1886 9.1269 124.6572 55.3705 32.5497 176.5103 38 P 4.2888 0.0000 0.0000 65.3339 31.4337 176.7294 39 D 4.7470 8.0096 116.3203 53.4461 40.0271 176.8879 40 T 4.5758 7.7026 110.8144 59.6325 68.4372 172.4422 41 P 4.4513 0.0000 0.0000 64.7385 32.7379 176.5745 42 S 4.7481 7.5445 112.0082 55.8960 65.9068 174.3484 43 C 4.0462 7.8263 122.2673 62.5922 27.5383 176.3959 44 T 4.3239 7.4960 112.3266 63.6321 68.1014 176.4849 45 T 3.8442 7.3369 118.8046 66.7897 68.7998 174.9610 46 C 4.8983 7.8635 117.7378 59.9825 29.3650 174.8477 47 H 4.8315 8.0330 114.9938 54.3371 29.4558 176.0922 48 G 4.0322 8.0135 108.3137 45.0872 0.0000 174.1102 49 A 4.4299 8.4817 120.2625 53.0928 19.6037 176.8340 50 D 4.7724 7.9763 115.6647 52.9603 41.2306 176.4400 51 V 4.0571 8.1548 119.6388 62.0248 31.6560 177.8310 52 T 4.1991 8.0816 109.8844 62.1152 69.3810 174.7974 53 R 4.5610 7.5584 121.3222 54.0637 32.5211 175.3047 54 A 4.2936 8.3829 121.3808 52.6165 19.4041 177.9004 55 G 4.4173 8.6837 108.3910 45.8179 0.0000 172.2222 56 Q 5.2698 8.6430 116.1501 55.5006 32.4206 175.0139 57 T 4.5256 8.8864 115.4041 61.2755 70.3127 176.1826 58 R 3.9307 8.5268 119.2343 59.2111 29.2473 174.1724 59 T 4.2583 7.8844 104.4942 61.9006 69.3375 175.4623 60 G 3.9025 8.3233 113.5207 45.6100 0.0000 174.3560 61 K 4.2372 7.7469 124.3072 54.5058 32.7469 181.0088 62 E 4.4789 8.8650 126.2220 55.6887 30.7143 175.8095 63 I 4.5398 8.1928 126.2386 59.0207 39.9185 175.2859 64 A 4.3709 8.6538 128.6840 51.1838 19.0975 175.1652 65 P 4.4860 0.0000 0.0000 62.4552 31.4986 176.9569 66 L 4.0034 8.5694 121.5998 56.5328 42.4050 178.0890 67 A 4.0213 7.7072 122.1539 51.2192 19.5571 176.7523 68 P 4.2957 0.0000 0.0000 65.2384 31.2600 179.2150 69 S 4.1704 8.0104 111.9252 60.7130 62.9504 175.4210 70 A 4.5729 7.7586 122.6872 52.5184 20.3860 176.7539 71 T 4.3760 7.7966 114.1235 60.5831 69.4240 172.5992 72 P 4.3726 0.0000 0.0000 64.2150 31.6546 177.1492 73 D 4.7053 7.7848 115.5220 52.8553 39.6236 176.6575 74 R 3.5426 7.4263 119.1005 57.7692 30.2894 176.2990 75 F 4.1535 8.3642 118.4895 59.5510 36.3831 175.8524 76 T 4.7461 7.9281 107.2647 60.2417 70.0721 172.4245 77 D 5.2693 7.8588 122.2910 52.2521 43.6499 175.8261 78 S 4.1855 9.9203 124.2069 61.6206 62.9809 176.4162 79 A 4.0430 8.0797 123.9466 54.7115 18.2343 179.4151 80 R 3.9397 8.5307 117.3853 59.5811 30.1550 178.9187 81 V 3.8503 8.1066 118.0745 66.2763 31.4967 177.9356 82 E 4.0743 8.3290 118.2126 58.9963 29.2397 179.0960 83 K 3.7650 8.2602 119.8738 59.4792 32.1865 178.9709 84 W 4.2389 8.1882 119.0291 59.7506 28.9432 178.6244 85 L 4.0994 8.5087 119.3178 57.6120 41.0082 179.8722 86 G 3.5687 8.4845 106.0073 47.8629 0.0000 175.9323 87 R 3.9100 8.0154 121.2602 59.0577 30.1709 179.1147 88 N 4.5102 9.1314 116.7752 56.3953 38.5274 177.0206 89 C 4.3461 8.6609 118.4938 60.0263 34.4704 175.8644 90 N 4.3934 8.0286 117.6307 56.4400 38.0723 177.6647 91 S 4.1237 8.2052 116.5145 61.3894 62.7049 176.8391 92 V 3.9635 7.5221 120.6663 64.7725 31.6748 176.9760 93 I 3.9826 8.1431 117.4859 61.5136 37.7137 177.0417 94 G 3.9412 9.8582 106.8830 46.0290 0.0000 172.5854 95 R 4.5055 7.0750 113.5828 54.8118 31.8381 174.1958 96 D 4.5147 8.3774 118.2634 54.3834 41.3518 177.5054 97 C 4.6450 8.3948 119.5483 56.8879 40.7417 174.4653 98 T 4.3073 8.7101 113.7600 60.6122 70.6805 174.0952 99 P 4.2218 0.0000 0.0000 65.7879 31.2124 179.2329 100 G 3.6015 7.9900 103.9524 47.7841 0.0000 175.4975 101 E 3.9444 8.1888 121.0534 59.0561 29.4752 179.6228 102 K 3.7333 8.1732 118.6035 59.1648 31.9022 179.2233 103 A 4.0781 8.1790 121.3936 55.2843 18.3275 179.4056 104 D 4.3055 8.3111 117.5173 57.4751 40.8598 178.9420 105 L 4.0683 8.1891 119.7092 58.1207 41.7169 179.8134 106 L 3.6803 8.0566 118.4582 57.3328 41.2255 179.4250 107 A 4.0117 8.0310 120.4799 54.7631 18.6188 179.2736 108 W 4.2232 8.2110 126.7726 60.7220 30.9527 178.2019 109 L 3.3752 8.1660 118.8877 57.6335 40.8461 179.4099 110 A 4.2717 8.3152 119.3443 54.1161 18.3965 178.4066 111 A 4.3223 7.3449 116.9276 52.3278 19.2844 177.2359 112 Q 3.9075 7.3939 122.0221 55.8946 28.8666 175.6690 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 G 8.34 3.89 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 0.00 2 D 8.37 4.47 0.00 2.96 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 3 T 7.92 4.45 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 1.29 0.00 0.00 4 S 8.13 4.70 0.00 4.05 3.91 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 5 P 0.00 4.32 0.00 2.26 2.33 0.00 3.65 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 2.21 2.39 0.00 6 A 8.00 4.01 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 7 Q 7.79 3.91 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 8 L 8.02 3.76 0.00 2.02 1.72 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.02 3.81 1.89 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 1.49 0.78 0.95 0.00 0.00 10 A 7.49 4.38 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 11 G 7.96 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 0.00 0.00 0.00 12 Y 7.89 4.41 0.00 3.08 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 13 E 8.78 4.08 0.00 2.17 2.03 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 2.56 2.54 0.00 14 A 7.96 4.01 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 15 A 7.88 4.09 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 16 A 8.24 4.22 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 17 G 9.33 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 0.00 0.00 0.00 18 A 7.44 4.60 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 19 P 0.00 4.52 0.00 2.07 2.01 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 20 A 9.12 4.22 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 21 D 9.38 4.78 0.00 2.64 2.53 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 22 A 8.58 4.17 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 23 E 8.28 3.94 0.00 2.17 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 2.35 2.50 0.00 24 R 8.20 4.01 0.00 2.08 1.94 0.00 3.11 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 25 G 8.03 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 26 R 7.97 2.51 0.00 0.67 1.54 0.00 3.02 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 27 A 7.44 3.85 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 28 L 7.90 3.98 0.00 1.83 1.81 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.35 3.97 0.00 3.25 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 30 L 7.77 4.19 0.00 1.60 1.69 0.85 0.87 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 31 S 6.91 4.29 0.00 3.89 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 32 T 8.17 4.59 4.22 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 1.19 0.00 0.00 33 Q 9.02 4.73 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 34 T 8.36 4.46 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 1.20 0.00 0.00 35 G 8.06 3.88 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 0.00 0.00 0.00 36 G 7.45 4.37 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 0.00 37 K 9.13 4.19 0.00 1.90 1.90 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.25 7.81 38 P 0.00 4.29 0.00 2.17 2.18 0.00 3.75 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 1.98 1.95 0.00 39 D 8.01 4.75 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.70 4.58 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 1.21 0.00 0.00 41 P 0.00 4.45 0.00 2.22 2.31 0.00 3.66 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 1.93 0.00 42 S 7.54 4.75 0.00 3.84 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 43 C 7.83 4.05 0.00 1.85 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 0.00 0.00 0.00 44 T 7.50 4.32 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 45 T 7.34 3.84 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 1.19 0.00 0.00 46 C 7.86 4.90 0.00 2.76 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 47 H 8.03 4.83 0.00 3.58 3.61 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.01 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 49 A 8.48 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 50 D 7.98 4.77 0.00 2.76 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 51 V 8.15 4.06 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 0.60 0.00 0.00 0.48 0.00 0.00 52 T 8.08 4.20 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 53 R 7.56 4.56 0.00 2.05 1.86 0.00 3.14 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 54 A 8.38 4.29 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 55 G 8.68 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 0.00 0.00 0.00 0.00 56 Q 8.64 5.27 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 57 T 8.89 4.53 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 1.23 0.00 0.00 58 R 8.53 3.93 0.00 1.85 1.90 0.00 3.25 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 59 T 7.88 4.26 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 60 G 8.32 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 61 K 7.75 4.24 0.00 1.42 1.71 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.26 7.81 62 E 8.86 4.48 0.00 1.96 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 0.00 2.27 2.33 0.00 63 I 8.19 4.54 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.53 0.82 0.00 0.00 64 A 8.65 4.37 1.16 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 0.00 0.00 0.00 65 P 0.00 4.49 0.00 1.87 1.99 0.00 3.67 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 66 L 8.57 4.00 0.00 1.56 1.74 0.90 0.83 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 67 A 7.71 4.02 1.16 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 0.00 0.00 0.00 68 P 0.00 4.30 0.00 2.12 2.01 0.00 3.57 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.94 0.00 69 S 8.01 4.17 0.00 3.96 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.76 4.57 1.24 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 0.00 0.00 0.00 71 T 7.80 4.38 4.07 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 1.14 0.00 0.00 72 P 0.00 4.37 0.00 1.99 2.08 0.00 3.65 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 73 D 7.78 4.71 0.00 2.74 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 74 R 7.43 3.54 0.00 1.15 0.66 0.00 2.95 0.00 0.00 2.78 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 75 F 8.36 4.15 0.00 3.21 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 76 T 7.93 4.75 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 77 D 7.86 5.27 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 78 S 9.92 4.19 0.00 4.06 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 79 A 8.08 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.53 3.94 0.00 2.11 2.23 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 81 V 8.11 3.85 2.38 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 1.24 0.00 0.00 1.21 0.00 0.00 82 E 8.33 4.07 0.00 2.12 2.04 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 2.49 2.55 0.00 83 K 8.26 3.76 0.00 1.81 1.82 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.74 1.18 7.81 84 W 8.19 4.24 0.00 3.60 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 85 L 8.51 4.10 0.00 1.80 1.74 0.88 0.79 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 86 G 8.48 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 87 R 8.02 3.91 0.00 2.01 2.01 0.00 2.21 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 88 N 9.13 4.51 0.00 2.92 2.97 0.00 0.00 7.12 7.44 0.00 0.00 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 C 8.66 4.35 0.00 3.03 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 90 N 8.03 4.39 0.00 3.05 2.86 0.00 0.00 7.05 7.86 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 91 S 8.21 4.12 0.00 3.91 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 92 V 7.52 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 1.03 0.00 0.00 0.95 0.00 0.00 93 I 8.14 3.98 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.68 0.89 0.00 0.00 94 G 9.86 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.07 4.51 0.00 1.87 1.87 0.00 3.03 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 96 D 8.38 4.51 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.39 4.65 0.00 2.90 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 98 T 8.71 4.31 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 1.20 0.00 0.00 99 P 0.00 4.22 0.00 2.29 2.26 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 100 G 7.99 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 0.00 101 E 8.19 3.94 0.00 2.23 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 2.30 2.32 0.00 102 K 8.17 3.73 0.00 1.00 0.77 0.00 1.11 0.00 0.00 1.06 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.18 1.40 7.81 103 A 8.18 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.31 4.31 0.00 2.85 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 0.00 105 L 8.19 4.07 0.00 1.82 1.80 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.06 3.68 0.00 1.73 1.51 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.03 4.01 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 0.00 108 W 8.21 4.22 0.00 3.59 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.17 3.38 0.00 1.53 1.75 0.92 0.62 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 0.00 110 A 8.32 4.27 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.34 4.32 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 0.00 112 Q 7.39 3.91 0.00 1.74 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.49 0.00 0.00 0.00 0.00 0.00 1.67 1.38 0.00 * Residues marked with a * may have inaccurate shift predictions.