NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4184 8.2893 118.7929 53.2039 33.1636 177.0008 2 N 4.4968 6.7487 117.9412 52.6706 39.0397 172.7460 3 T 5.1595 8.8363 122.9482 62.2658 72.6289 173.9799 4 Y 4.8500 9.2258 122.0596 56.3138 42.0664 174.5482 5 S 5.3215 8.8559 118.4901 56.8715 65.8296 173.5930 6 I 4.6070 8.7252 124.4117 59.7669 41.1340 174.2547 7 T 4.9897 8.5822 122.7563 61.8357 70.4490 173.6356 8 L 4.9660 9.0376 126.3199 51.8480 45.5995 174.4087 9 P 4.9206 0.0000 0.0000 62.0943 32.6718 175.5686 10 W 4.3621 8.3870 131.0148 56.7921 31.0524 174.1717 11 P 3.3231 0.0000 0.0000 60.7521 31.9327 173.9301 12 P 4.4304 0.0000 0.0000 61.7017 32.0278 176.9777 13 S 4.2987 8.5404 117.8573 58.7780 63.3248 175.4402 14 N 4.3087 9.2615 125.3597 58.9118 36.8762 178.7373 15 N 4.9809 7.8306 121.6079 57.4739 37.8900 180.4345 16 R 4.5385 8.0568 120.0090 60.3411 30.0954 181.1750 17 Y 4.1700 7.9753 118.4213 61.3094 39.5082 174.9750 18 Y 4.8823 7.8620 119.0620 57.9776 39.0257 176.2699 19 R 4.4345 9.6473 127.9779 57.3823 31.7482 173.2322 *20 H 4.9407 8.7817 118.3914 54.7561 29.3160 172.2275 21 N 4.7120 8.4496 117.8584 50.1171 38.3613 171.4814 22 R 3.8297 8.2556 129.8089 55.7003 32.6919 178.9379 23 G 3.4760 8.9726 111.9897 47.1885 0.0000 177.5947 24 R 4.4120 8.8001 132.0571 55.8276 32.2291 177.2413 25 T 5.3920 8.2799 106.9125 60.8151 72.4882 168.5638 26 H 5.1410 8.4387 117.1127 54.1035 32.7071 172.7175 27 V 4.1557 8.3370 112.1502 61.2101 32.2111 176.8116 28 S 4.4078 8.5147 118.7095 56.8980 64.6382 175.0765 29 A 3.9021 8.6377 122.1402 55.7332 17.7028 179.5859 30 E 3.9696 8.1670 116.9965 59.1942 29.7098 179.0797 31 G 2.8185 7.5532 105.7800 47.3357 0.0000 175.6538 32 Q 3.8639 8.2082 122.0382 58.6098 29.0169 177.9670 33 A 3.9875 7.7120 122.1338 55.3793 18.3344 179.0201 34 Y 4.0362 7.7851 117.9398 60.9086 38.8460 178.1700 35 R 3.8770 8.2253 119.0591 59.4976 30.3038 178.7064 36 D 4.2944 8.1317 118.4092 57.2712 40.8082 178.3762 37 N 4.1822 7.9591 117.3784 56.7758 38.9295 177.0773 38 V 3.3317 7.6134 119.5138 65.7745 31.4275 177.7553 39 A 3.9128 8.1935 120.8914 55.1440 18.1463 179.8460 40 R 3.8148 7.8306 116.2392 59.3467 30.1350 179.2417 41 I 3.6324 7.5971 119.5220 64.4914 37.0666 178.4893 42 I 3.5964 7.8907 120.7953 64.3105 36.9555 178.5002 43 K 3.9255 8.2880 120.6767 59.5948 31.8164 178.6525 44 N 4.3707 8.4181 116.0316 55.8647 38.5132 176.3100 45 A 4.2867 7.8298 119.4782 51.5923 18.8818 176.8690 46 M 3.1521 7.8247 115.8986 56.7102 30.2174 177.4172 47 L 4.6489 8.0654 115.9086 54.6930 42.6916 177.2936 48 D 4.9682 7.8438 120.3951 52.3133 37.8951 176.0645 49 I 4.0900 7.3562 112.2389 60.4290 39.5017 176.3112 50 G 3.7728 7.9355 109.1977 45.8783 0.0000 174.3561 51 L 3.7946 7.4021 118.4504 55.1600 42.2020 178.3006 52 A 4.7948 8.4716 123.6196 51.8289 20.3754 175.7106 53 M 4.5079 7.6090 113.0563 52.9397 33.5624 174.3898 54 P 4.5451 0.0000 0.0000 63.4288 32.7265 175.9469 55 V 5.0126 8.6755 115.4084 59.5927 36.3753 174.2693 56 K 5.1806 9.0067 123.9633 54.9638 34.9918 174.8320 57 I 5.2907 8.9851 125.4987 59.4496 42.1608 173.3990 58 R 5.1851 9.1744 129.0712 54.6635 32.6626 174.4562 59 I 4.9226 9.2756 127.3856 59.6619 39.9755 174.3745 60 E 4.6549 9.1615 128.3772 55.8523 30.9912 175.8364 61 C 4.9916 9.3684 123.8187 58.6692 29.5529 172.8674 62 H 4.8205 9.3907 123.0884 54.8874 28.9853 175.0708 63 M 4.0684 8.2591 124.0335 54.3685 32.4887 176.3820 64 P 4.2089 0.0000 0.0000 64.6351 32.1832 175.2540 65 D 4.2552 7.0377 117.8359 54.4162 41.5570 176.6597 66 R 4.5232 8.4849 119.5179 56.4035 29.7048 172.2083 67 R 4.1080 8.2548 120.4265 56.9503 30.6063 177.2500 68 R 3.8808 8.5401 119.3667 57.0408 29.1151 177.1560 69 R 4.4486 8.1752 122.6420 53.1967 31.9400 173.4828 70 D 4.4081 8.4314 123.7124 53.4970 40.1628 177.6448 71 L 4.0515 8.6978 127.5219 58.1157 42.0155 177.6493 72 D 4.6873 8.0518 114.4875 53.9452 39.8349 175.9758 73 N 4.8844 8.6381 117.5668 53.3531 38.7749 175.5638 74 L 4.5203 7.7626 115.3242 54.0818 43.1529 177.4829 75 Q 3.9639 7.4848 118.2533 57.2176 29.2203 177.8685 76 K 3.6955 7.5003 120.2324 59.1830 32.1624 178.8634 77 A 2.5800 7.3692 120.2840 54.3837 18.1230 179.3080 78 A 3.9501 7.5714 118.7143 55.4223 18.6797 179.5269 79 F 4.6958 8.2170 116.2465 61.0554 39.0321 177.4744 80 D 4.4743 8.4580 117.3011 57.4753 41.1102 178.1155 81 A 4.0465 8.5794 121.6048 55.2220 18.3468 179.6319 82 L 3.6802 8.1879 117.7919 57.8877 41.5624 179.8845 83 T 4.2154 7.9174 115.5134 66.8417 68.3083 176.9322 84 K 4.1384 8.1390 118.3519 58.6691 32.1865 178.5512 85 A 4.2839 7.8764 119.4545 52.2883 18.8603 178.1322 86 G 3.8429 7.8608 105.9127 45.5542 0.0000 175.4257 87 F 4.4981 8.5698 123.9959 59.6948 40.0480 174.8915 88 W 5.2162 7.5132 112.0515 54.5090 30.8451 174.9229 89 L 4.4062 8.6198 119.2822 57.1769 42.0522 177.5169 90 D 4.5750 8.0862 115.5046 53.1145 44.6203 175.6454 91 D 3.4556 8.5564 124.2135 54.3918 39.7484 177.7657 92 A 3.9983 7.7401 123.0651 54.7307 18.6007 178.7358 93 Q 3.8272 7.6972 114.9165 57.7335 28.9383 176.1207 94 V 3.8238 6.8498 118.0981 63.1156 30.9635 175.6773 95 V 4.3157 8.0164 120.2768 61.1652 32.8387 175.8732 96 D 4.5318 7.6753 119.4966 53.6999 43.8919 173.5437 97 Y 5.6073 8.5130 123.8358 55.3446 41.5942 174.7228 98 R 4.6628 9.1565 120.8021 54.7067 33.7900 173.7177 99 V 4.9428 8.6099 125.4554 61.1291 34.3250 174.6227 100 V 4.4571 8.7994 127.1761 60.7554 34.6607 174.2790 101 K 4.4816 8.8947 129.7856 56.8190 32.9103 175.6111 102 M 4.8964 8.9602 126.2199 52.3782 36.0752 173.3467 103 P 4.6111 0.0000 0.0000 62.7069 32.2879 176.7395 104 V 4.5088 8.1656 121.6142 63.2576 32.2893 175.1578 105 T 4.7277 8.3153 122.6894 60.3950 71.2738 173.7048 106 K 4.0071 8.6967 129.0211 56.1090 32.0621 176.9742 107 G 4.0120 9.0147 112.8963 43.5063 0.0000 174.6359 108 G 3.9482 9.3622 104.1317 45.8189 0.0000 172.3577 109 R 4.9619 8.6785 114.3574 55.3596 33.5777 173.4265 110 L 5.3123 9.1519 120.1808 53.0841 44.6315 175.4173 111 E 5.0642 9.1502 123.2998 54.6948 31.9893 174.9062 112 L 5.2296 9.2282 125.2354 53.3644 44.6690 175.7780 113 T 5.1149 8.8387 118.8347 61.9253 71.9995 172.8756 114 I 5.1557 9.1829 127.6722 59.8104 40.5454 174.7008 115 T 5.1689 8.9883 123.3786 61.4483 71.4539 173.5142 116 E 4.3790 9.1303 126.7140 57.1709 29.5261 176.7771 117 M 4.5307 9.5513 122.8679 55.2517 34.9580 176.3804 118 G 3.7155 8.0282 111.1467 45.4853 0.0000 173.1059 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 8.29 4.42 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 N 6.75 4.50 0.00 3.09 2.97 0.00 0.00 5.87 6.34 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 3 T 8.84 5.16 4.15 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 1.26 0.00 0.00 4 Y 9.23 4.85 0.00 3.10 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 5 S 8.86 5.32 0.00 3.73 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 6 I 8.73 4.61 1.66 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.67 0.71 0.00 0.00 7 T 8.58 4.99 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 1.27 0.00 0.00 8 L 9.04 4.97 0.00 1.54 1.55 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.92 0.00 2.31 2.19 0.00 3.44 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 2.01 2.10 0.00 10 W 8.39 4.36 0.00 3.57 3.11 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 0.00 0.00 0.00 0.00 11 P 0.00 3.32 0.00 1.54 1.23 0.00 2.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.27 0.00 12 P 0.00 4.43 0.00 2.15 2.02 0.00 3.29 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 13 S 8.54 4.30 0.00 4.00 4.02 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 14 N 9.26 4.31 0.00 2.70 2.91 0.00 0.00 7.40 7.17 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 15 N 7.83 4.98 0.00 2.87 2.76 0.00 0.00 6.91 7.54 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 16 R 8.06 4.54 0.00 1.89 1.86 0.00 3.24 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 17 Y 7.98 4.17 0.00 3.11 2.90 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 18 Y 7.86 4.88 0.00 3.04 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 19 R 9.65 4.43 0.00 1.45 1.81 0.00 3.21 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 *20 H 8.78 4.94 0.00 2.62 2.84 0.00 7.12 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.45 4.71 0.00 2.67 2.64 0.00 0.00 6.88 7.54 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 22 R 8.26 3.83 0.00 1.94 1.94 0.00 3.30 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 23 G 8.97 3.48 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 0.00 24 R 8.80 4.41 0.00 1.75 1.86 0.00 3.19 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.00 25 T 8.28 5.39 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 1.21 0.00 0.00 26 H 8.44 5.14 0.00 3.17 3.44 0.00 5.44 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.34 4.16 1.66 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 0.42 0.00 0.00 0.86 0.00 0.00 28 S 8.51 4.41 0.00 3.96 3.95 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 29 A 8.64 3.90 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 30 E 8.17 3.97 0.00 2.02 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 2.34 2.37 0.00 31 G 7.55 2.82 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 32 Q 8.21 3.86 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 33 A 7.71 3.99 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 34 Y 7.79 4.04 0.00 3.07 3.29 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 35 R 8.23 3.88 0.00 2.07 1.97 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.96 0.00 36 D 8.13 4.29 0.00 2.84 2.68 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 37 N 7.96 4.18 0.00 2.88 2.67 0.00 0.00 6.89 7.75 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 38 V 7.61 3.33 1.76 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 0.87 0.00 0.00 0.12 0.00 0.00 39 A 8.19 3.91 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 40 R 7.83 3.81 0.00 1.97 1.95 0.00 3.27 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 41 I 7.60 3.63 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.83 0.00 0.00 42 I 7.89 3.60 1.93 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.88 0.00 0.00 43 K 8.29 3.93 0.00 1.86 1.77 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.59 7.81 44 N 8.42 4.37 0.00 2.85 2.85 0.00 0.00 7.03 6.94 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 45 A 7.83 4.29 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 46 M 7.82 3.15 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 47 L 8.07 4.65 0.00 1.81 1.79 0.91 1.24 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 48 D 7.84 4.97 0.00 2.77 2.81 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 49 I 7.36 4.09 1.78 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.31 0.89 0.00 0.00 50 G 7.94 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 51 L 7.40 3.79 0.00 1.48 1.49 0.12 0.44 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 52 A 8.47 4.79 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 53 M 7.61 4.51 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 54 P 0.00 4.55 0.00 2.07 1.98 0.00 3.51 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 2.09 2.08 0.00 55 V 8.68 5.01 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 0.94 0.00 0.00 0.86 0.00 0.00 56 K 9.01 5.18 0.00 1.85 1.69 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 57 I 8.99 5.29 2.12 0.00 0.00 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 1.35 1.66 1.19 0.00 0.00 58 R 9.17 5.19 0.00 1.97 1.82 0.00 3.13 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 59 I 9.28 4.92 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.92 0.00 0.00 60 E 9.16 4.65 0.00 2.14 1.89 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 2.33 2.34 0.00 61 C 9.37 4.99 0.00 2.95 3.21 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 62 H 9.39 4.82 0.00 3.31 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.26 4.07 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.85 0.00 64 P 0.00 4.21 0.00 1.76 1.52 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 65 D 7.04 4.26 0.00 2.65 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 66 R 8.48 4.52 0.00 1.84 1.82 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.00 67 R 8.25 4.11 0.00 1.97 1.88 0.00 3.13 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 68 R 8.54 3.88 0.00 1.83 1.78 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 69 R 8.18 4.45 0.00 1.82 2.02 0.00 3.25 0.00 0.00 3.49 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 70 D 8.43 4.41 0.00 2.72 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 71 L 8.70 4.05 0.00 1.63 1.75 0.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.05 4.69 0.00 2.85 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 73 N 8.64 4.88 0.00 2.83 2.80 0.00 0.00 6.75 6.76 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 74 L 7.76 4.52 0.00 1.42 1.28 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.48 3.96 0.00 1.60 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.35 0.00 76 K 7.50 3.70 0.00 1.70 1.93 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.38 7.81 77 A 7.37 2.58 0.47 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 78 A 7.57 3.95 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 79 F 8.22 4.70 0.00 3.21 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 80 D 8.46 4.47 0.00 2.94 2.82 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 81 A 8.58 4.05 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 82 L 8.19 3.68 0.00 1.09 0.59 0.19 0.35 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 83 T 7.92 4.22 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 1.39 0.00 0.00 84 K 8.14 4.14 0.00 1.75 1.89 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.73 1.65 7.81 85 A 7.88 4.28 1.23 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 0.00 0.00 0.00 86 G 7.86 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 87 F 8.57 4.50 0.00 2.88 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 88 W 7.51 5.22 0.00 3.13 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 89 L 8.62 4.41 0.00 1.71 1.77 0.95 1.35 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 90 D 8.09 4.57 0.00 2.72 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 91 D 8.56 3.46 0.00 2.63 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 92 A 7.74 4.00 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 93 Q 7.70 3.83 0.00 1.63 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 94 V 6.85 3.82 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 0.71 0.00 0.00 -0.27 0.00 0.00 95 V 8.02 4.32 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 0.67 0.00 0.00 0.96 0.00 0.00 96 D 7.68 4.53 0.00 2.69 2.51 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 97 Y 8.51 5.61 0.00 3.16 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 98 R 9.16 4.66 0.00 1.91 1.82 0.00 3.05 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 99 V 8.61 4.94 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 0.87 0.00 0.00 1.11 0.00 0.00 100 V 8.80 4.46 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 0.74 0.00 0.00 0.97 0.00 0.00 101 K 8.89 4.48 0.00 1.84 1.72 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.52 7.81 102 M 8.96 4.90 0.00 1.72 1.72 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.71 0.00 103 P 0.00 4.61 0.00 1.95 2.00 0.00 3.68 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 2.04 2.10 0.00 104 V 8.17 4.51 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 0.84 0.00 0.00 0.93 0.00 0.00 105 T 8.32 4.73 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 1.22 0.00 0.00 106 K 8.70 4.01 0.00 1.81 1.61 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.02 7.81 107 G 9.01 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 108 G 9.36 3.95 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 0.00 109 R 8.68 4.96 0.00 2.13 2.09 0.00 2.71 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 110 L 9.15 5.31 0.00 1.60 1.61 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.15 5.06 0.00 2.00 1.89 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 2.23 2.27 0.00 112 L 9.23 5.23 0.00 1.64 1.54 0.92 0.44 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 0.00 113 T 8.84 5.11 4.31 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 1.27 0.00 0.00 114 I 9.18 5.16 2.31 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 1.52 0.83 1.36 0.00 0.00 115 T 8.99 5.17 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 1.25 0.00 0.00 116 E 9.13 4.38 0.00 2.13 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 2.50 2.71 0.00 117 M 9.55 4.53 0.00 1.82 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.86 0.00 118 G 8.03 3.72 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 0.00 * Residues marked with a * may have inaccurate shift predictions.