NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3391 8.3149 120.1417 55.4564 33.8335 175.4516 2 P 4.3510 0.0000 0.0000 61.6190 32.1750 176.4278 3 G 3.6898 9.0987 109.5999 47.7557 0.0000 175.3490 4 A 3.9859 8.1355 121.8677 55.7513 18.2440 179.1292 5 M 3.9168 7.6615 115.0841 57.4890 32.3573 176.7111 6 Y 4.8810 8.1958 114.0491 57.0596 40.8173 176.8477 7 R 4.2947 8.1091 116.8349 57.8050 29.8613 175.8937 8 N 5.0697 7.4220 115.6972 52.2713 40.2791 175.1072 9 S 4.7360 8.2821 116.8586 58.4901 63.1238 175.2591 10 S 4.4552 7.9449 114.1215 58.8481 63.9966 174.3324 11 K 4.4728 7.6468 120.1469 54.1727 33.4739 174.3430 12 P 4.4320 0.0000 0.0000 62.3135 31.8938 176.2298 13 A 4.3167 8.3962 123.1478 52.4942 18.9327 177.3786 14 Y 4.9066 8.7791 123.1660 55.8902 39.2120 175.1056 15 T 4.5610 8.0545 111.0062 60.4691 70.9165 175.8010 16 R 4.2938 7.6570 122.4016 55.5064 28.3706 176.9669 17 R 4.2394 8.2486 122.6370 58.2877 30.4194 178.7177 18 E 3.8595 7.8001 114.5350 58.0190 29.8328 176.8560 19 Y 4.8015 8.0328 115.4635 57.4127 39.1470 175.1715 20 I 4.6487 7.4970 120.9156 59.4313 40.4843 174.7726 21 S 4.7246 8.4119 118.5255 57.3462 65.8890 173.0951 22 G 3.8150 8.6405 106.1055 46.7379 0.0000 173.6998 23 I 4.0800 7.7349 120.2080 59.3766 38.0073 174.5943 24 P 4.3825 0.0000 0.0000 62.0348 31.8693 176.7195 25 G 3.7687 8.3709 110.8087 45.2347 0.0000 173.0774 26 K 4.1771 8.2992 122.0285 55.8795 32.8162 177.2533 27 K 4.2251 8.8961 123.7800 57.2319 32.5145 177.0565 28 I 4.0186 7.6210 120.5921 61.0021 37.0659 175.6780 29 A 4.1810 9.5795 130.0006 54.7237 18.4475 177.2303 30 Q 4.8327 7.5625 111.3530 54.7229 33.2630 174.6057 31 F 4.5184 9.0276 116.5610 57.3965 42.0439 174.8100 32 D 5.5436 8.4047 118.2049 52.7940 42.8274 175.4986 33 M 4.7787 9.2971 122.7620 54.3173 36.2331 176.3689 34 G 3.3717 8.7483 106.2368 45.9802 0.0000 175.8123 35 N 4.6081 8.2308 113.1166 52.3712 36.8597 175.2560 36 N 4.6736 8.1899 116.5841 53.6295 38.3193 177.5111 37 G 3.5993 8.0311 108.1229 47.8901 0.0000 174.0135 38 A 4.4819 7.5542 121.9520 50.8124 20.2881 176.4714 39 G 4.0679 8.0537 108.2230 43.0210 0.0000 172.1333 40 P 4.3036 0.0000 0.0000 62.7670 29.5346 177.0414 41 T 4.6427 7.7518 112.3709 61.3622 69.6824 174.7260 42 Y 4.7477 7.9037 117.9361 56.7157 40.7399 174.7702 43 P 4.3941 0.0000 0.0000 65.3632 31.9108 176.5751 44 A 5.6652 8.1110 119.6948 49.7812 21.7179 175.9302 45 Q 4.4861 8.5140 121.3343 54.6759 32.0252 173.7643 46 V 4.8830 8.1472 126.4634 61.5190 34.2796 174.3609 47 E 5.0985 9.9586 124.8984 54.5460 34.4547 174.3430 48 L 4.2330 8.0329 125.1829 53.4784 43.7110 175.1946 49 V 4.6990 8.7191 127.9707 60.9990 32.9720 175.1846 50 V 3.9684 8.2867 128.6842 63.2145 32.3358 175.9315 51 E 4.6312 8.5192 125.5500 56.2500 30.1587 176.1559 52 K 4.5797 7.6303 118.0420 54.0505 36.2550 173.8658 53 P 4.5906 0.0000 0.0000 63.1843 32.0264 175.9487 54 V 4.5473 8.7117 116.2831 60.9051 36.9610 172.4285 55 Q 5.0781 8.5140 120.2248 54.4722 31.2162 176.1828 56 I 4.4869 8.6439 123.4433 59.2330 40.4969 175.5283 57 R 4.4727 8.6335 126.8795 56.1165 30.8018 177.8439 58 H 4.1670 8.7541 117.3423 58.8351 28.0750 177.4231 59 N 4.1113 8.0275 118.9289 56.4124 38.4423 176.7699 60 A 4.0018 7.8534 121.3196 55.0199 18.5891 179.3213 61 L 3.8325 7.9343 117.5083 57.9634 41.6986 179.3121 62 E 3.8314 8.1581 118.6687 59.4405 29.6435 178.8136 63 A 4.0558 8.0330 120.4569 54.8303 18.2007 179.6020 64 A 3.9346 8.5182 119.9090 55.3159 18.5562 179.8441 65 R 3.8761 8.6186 117.6074 59.5979 30.1324 178.5396 66 V 3.5615 8.2000 118.1776 66.2988 31.3328 177.7371 67 A 3.4243 7.8242 118.7177 54.7327 18.3622 179.0840 68 A 4.4395 7.5319 120.5261 54.2519 18.9132 179.2505 69 N 3.9753 8.5605 116.0054 56.7002 38.8749 177.0188 70 R 3.6559 8.7521 120.2730 59.2864 30.2497 177.1716 71 Y 4.2640 7.4278 118.9000 59.3684 38.8817 177.2357 72 V 3.1962 7.3010 117.1297 62.5418 31.7923 176.5048 73 Q 4.3748 7.6426 120.2595 56.0426 27.7509 175.3212 74 N 4.6929 7.3435 112.8597 53.0631 40.8722 174.0984 75 S 4.4993 7.7430 111.4679 58.2339 65.0813 175.0388 76 G 3.9765 8.1810 107.0882 44.9020 0.0000 174.3094 77 A 3.9965 8.5654 123.3217 54.3351 18.4045 178.2629 78 A 4.6539 7.6455 117.3170 51.4911 19.6332 175.9476 79 A 4.2086 7.8534 122.6038 54.0019 19.0258 178.9346 80 N 4.7657 8.2772 119.1271 51.8658 37.6767 173.1823 81 Y 4.7937 7.0518 119.2257 55.6390 41.2138 172.9787 82 K 5.0175 8.2784 119.2462 55.1617 36.1566 174.5799 83 F 5.9219 9.3755 125.9077 56.7196 42.2945 174.0901 84 R 5.5433 9.5279 124.2346 53.4226 34.3021 174.0395 85 I 4.5478 8.4429 124.4055 59.2617 38.2936 175.2419 86 R 4.3856 8.4867 126.2763 57.3733 29.9695 176.8610 87 K 4.7191 7.7466 119.1951 54.9003 33.9892 175.5345 88 F 4.7360 8.4202 120.1111 54.8589 41.8415 174.7037 89 P 4.6471 0.0000 0.0000 62.8234 29.3046 175.7831 90 F 4.4752 8.2436 125.2572 61.0615 39.8001 175.8265 91 H 4.5075 8.1711 122.4378 56.3935 30.4565 174.8149 92 V 4.3854 8.7522 127.7727 62.6529 32.2231 175.1950 93 I 4.6642 8.6103 120.5787 59.2404 40.5584 174.6134 94 R 5.2284 8.3567 121.7959 53.8894 33.9750 174.4266 95 E 4.5559 8.2344 119.0336 55.4474 33.3335 174.1160 96 N 5.1729 8.8373 126.6573 52.2216 37.9406 173.8799 97 K 4.4848 7.6668 124.9758 54.5178 31.8693 176.0868 *109 D 4.4568 7.6910 120.7275 54.8870 43.7786 171.9217 110 G 4.1319 8.8377 117.4178 46.1229 0.0000 173.2761 111 M 4.4062 9.0411 118.4398 54.7450 33.3825 176.0536 112 R 4.0158 7.8592 119.3774 57.0148 31.5437 176.0732 113 A 3.8223 8.4865 126.2838 52.8321 15.8003 175.2184 114 P 5.1254 0.0000 0.0000 62.5232 32.6269 176.7258 115 F 3.8562 8.4390 121.8885 58.6347 39.1855 174.7104 116 G 3.9649 8.0715 115.7247 46.2155 0.0000 171.5350 117 K 4.8687 8.5220 118.4334 53.9821 35.3134 174.2546 118 P 4.7132 0.0000 0.0000 63.9510 31.3051 176.3075 119 V 4.3181 8.9078 115.9873 60.3777 33.9766 175.7875 120 G 3.8557 6.9807 107.1579 45.8607 0.0000 171.4314 121 T 5.2280 7.4030 107.2530 60.2003 72.6036 172.6519 122 A 5.1155 9.1366 122.8198 50.6952 23.3982 174.7141 123 A 4.7604 8.8443 121.6266 50.2930 21.7236 176.2209 124 R 4.7859 8.6512 121.3065 55.0637 31.3899 175.9859 125 V 4.4423 8.6081 124.5377 61.3470 34.4020 174.4106 126 H 4.7991 8.8854 124.2255 53.8108 30.3161 174.8857 127 G 3.7927 8.4904 111.2771 47.6298 0.0000 173.4648 128 A 3.9537 9.8177 127.7775 51.5252 18.2237 177.8831 129 N 4.7944 8.0027 113.5612 52.8412 40.3844 173.7023 130 H 5.0953 8.1292 116.6918 54.3843 29.9635 174.5749 131 I 3.8545 8.4411 123.3273 62.3119 39.4043 175.2934 132 F 5.3595 7.6126 119.2196 55.5228 42.9885 174.3851 133 I 5.0937 9.1543 122.5435 59.6657 41.2526 174.1734 134 A 5.4484 9.3855 128.3717 49.8638 22.8732 174.6457 135 W 5.1416 9.2398 120.2404 54.7859 32.2279 175.2930 136 V 4.9134 8.8124 123.3839 60.2166 34.8156 174.4708 137 N 5.0211 8.9126 118.9356 51.6601 40.1506 172.5001 138 P 4.4190 0.0000 0.0000 62.4613 30.7139 176.6540 139 D 4.5440 7.6768 125.1971 51.8525 42.0203 175.6426 140 P 4.4910 0.0000 0.0000 63.2480 29.2010 176.6105 141 N 4.6374 7.7901 118.2576 54.0367 39.5464 176.8789 142 V 3.0928 7.2759 120.8363 64.4438 31.1445 177.7558 143 E 3.8628 7.8394 118.5107 58.6498 29.4735 177.6430 144 E 4.0658 7.9914 118.9502 58.3058 29.6483 178.0443 145 A 3.8496 7.6389 120.5689 54.2219 18.3062 179.0413 146 W 4.7044 7.8078 116.5103 58.6667 29.4638 178.5128 147 R 3.9837 7.5265 118.1331 59.1323 29.8064 178.1288 148 R 4.1401 7.8751 116.7183 57.7240 30.2470 178.5711 149 A 4.0332 7.7997 121.9794 55.1937 18.6753 179.3384 150 K 4.3278 7.9719 110.3271 58.0549 32.2044 177.3936 151 M 4.2218 7.4736 119.6377 56.9400 32.5244 176.8810 152 K 4.6233 8.1830 116.5932 55.7877 32.7730 175.9240 153 V 4.5021 7.3963 111.2020 59.4789 34.6221 175.4634 154 T 3.9218 8.6897 120.6377 66.6027 68.4916 172.9929 155 P 4.4658 0.0000 0.0000 62.8305 32.2633 175.7840 156 T 4.3830 8.1018 115.2871 63.5590 69.8539 173.9151 157 I 5.0236 8.1060 123.3469 59.7337 41.9530 173.8146 158 N 4.8999 9.0957 122.8937 52.0153 41.2312 173.4344 159 I 4.6836 8.4710 127.3186 60.3083 38.1910 174.2893 160 D 4.9851 9.1248 128.1667 52.3676 43.5419 174.6623 161 S 4.8500 8.3274 119.6831 58.4724 63.8711 171.2475 162 S 4.3629 9.3816 122.8591 58.8304 63.9489 173.5790 163 P 4.3431 0.0000 0.0000 64.1942 32.5958 175.8175 164 A 4.9709 8.0541 130.0470 52.4850 19.7091 175.5859 165 G 4.0949 8.2444 109.6850 45.3275 0.0000 172.5630 166 N 4.7025 7.9758 116.1770 51.5098 37.5795 175.1426 167 A 4.2978 7.5852 124.2525 52.2781 19.2146 177.4087 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 K 8.31 4.34 0.00 1.90 1.91 0.00 2.00 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.55 7.81 2 P 0.00 4.35 0.00 2.24 1.96 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 3 G 9.10 3.69 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 0.00 0.00 0.00 4 A 8.14 3.99 1.28 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 0.00 0.00 5 M 7.66 3.92 0.00 0.95 1.76 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 6 Y 8.20 4.88 0.00 2.99 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 7 R 8.11 4.29 0.00 2.00 2.30 0.00 2.95 0.00 0.00 3.46 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 8 N 7.42 5.07 0.00 2.85 2.77 0.00 0.00 6.90 7.45 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 9 S 8.28 4.74 0.00 3.82 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 10 S 7.94 4.46 0.00 3.97 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 11 K 7.65 4.47 0.00 1.83 1.79 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.46 7.81 12 P 0.00 4.43 0.00 2.11 2.05 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 13 A 8.40 4.32 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 14 Y 8.78 4.91 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 15 T 8.05 4.56 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 1.40 0.00 0.00 16 R 7.66 4.29 0.00 2.09 2.06 0.00 3.30 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 17 R 8.25 4.24 0.00 1.79 1.93 0.00 3.11 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 18 E 7.80 3.86 0.00 1.46 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 0.00 1.53 1.47 0.00 19 Y 8.03 4.80 0.00 2.88 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 20 I 7.50 4.65 1.72 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.85 0.00 0.00 21 S 8.41 4.72 0.00 3.93 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 22 G 8.64 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 23 I 7.73 4.08 1.86 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 1.40 0.58 0.89 0.00 0.00 24 P 0.00 4.38 0.00 2.01 1.98 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 25 G 8.37 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 26 K 8.30 4.18 0.00 1.74 1.78 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.62 1.53 7.81 27 K 8.90 4.23 0.00 1.74 1.82 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.49 7.81 28 I 7.62 4.02 1.91 0.00 0.00 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 1.21 0.45 0.19 0.00 0.00 29 A 9.58 4.18 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 30 Q 7.56 4.83 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 31 F 9.03 4.52 0.00 3.04 3.09 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 0.00 0.00 0.00 32 D 8.40 5.54 0.00 2.64 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 33 M 9.30 4.78 0.00 2.19 2.44 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.76 0.00 34 G 8.75 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 0.00 0.00 0.00 35 N 8.23 4.61 0.00 2.78 2.79 0.00 0.00 7.19 7.22 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 36 N 8.19 4.67 0.00 2.85 2.98 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.03 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 38 A 7.55 4.48 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 39 G 8.05 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 0.00 0.00 0.00 0.00 40 P 0.00 4.30 0.00 1.66 0.82 0.00 3.41 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.99 0.00 41 T 7.75 4.64 4.14 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 1.19 0.00 0.00 42 Y 7.90 4.75 0.00 3.19 3.26 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 43 P 0.00 4.39 0.00 2.12 2.17 0.00 4.01 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 2.08 2.12 0.00 44 A 8.11 5.67 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 45 Q 8.51 4.49 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 1.98 1.33 0.00 46 V 8.15 4.88 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 1.31 0.00 0.00 0.86 0.00 0.00 47 E 9.96 5.10 0.00 1.72 1.69 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 2.07 2.33 0.00 48 L 8.03 4.23 0.00 0.27 0.94 0.75 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.72 4.70 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 0.98 0.00 0.00 0.91 0.00 0.00 50 V 8.29 3.97 2.02 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 0.86 0.00 0.00 0.85 0.00 0.00 51 E 8.52 4.63 0.00 1.99 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 2.25 2.25 0.00 52 K 7.63 4.58 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.44 7.81 53 P 0.00 4.59 0.00 1.84 1.71 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 54 V 8.71 4.55 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 0.66 0.00 0.00 0.95 0.00 0.00 55 Q 8.51 5.08 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 56 I 8.64 4.49 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.86 0.00 0.00 57 R 8.63 4.47 0.00 1.86 1.84 0.00 2.94 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 58 H 8.75 4.17 0.00 3.37 3.51 0.00 5.27 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 59 N 8.03 4.11 0.00 2.74 2.84 0.00 0.00 7.05 7.74 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 60 A 7.85 4.00 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 61 L 7.93 3.83 0.00 1.75 1.56 0.74 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.16 3.83 0.00 2.12 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 0.00 2.35 2.37 0.00 63 A 8.03 4.06 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 64 A 8.52 3.93 1.63 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 0.00 0.00 65 R 8.62 3.88 0.00 2.17 2.00 0.00 3.20 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 66 V 8.20 3.56 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 0.97 0.00 0.00 1.01 0.00 0.00 67 A 7.82 3.42 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 68 A 7.53 4.44 1.51 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 69 N 8.56 3.98 0.00 2.99 2.91 0.00 0.00 6.92 7.41 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 70 R 8.75 3.66 0.00 1.82 2.02 0.00 3.33 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 71 Y 7.43 4.26 0.00 3.13 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 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6.83 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 81 Y 7.05 4.79 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 82 K 8.28 5.02 0.00 1.96 1.92 0.00 1.38 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.02 1.54 7.81 83 F 9.38 5.92 0.00 3.33 3.18 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 0.00 0.00 0.00 0.00 84 R 9.53 5.54 0.00 2.01 1.96 0.00 3.37 0.00 0.00 3.38 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 85 I 8.44 4.55 1.63 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.03 0.45 0.00 0.00 86 R 8.49 4.39 0.00 1.99 2.15 0.00 3.20 0.00 0.00 3.46 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 87 K 7.75 4.72 0.00 1.62 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.30 7.81 88 F 8.42 4.74 0.00 2.10 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 89 P 0.00 4.65 0.00 2.13 2.06 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 90 F 8.24 4.48 0.00 3.18 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 91 H 8.17 4.51 0.00 3.31 3.42 0.00 5.77 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.75 4.39 2.17 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 0.91 0.00 0.00 0.92 0.00 0.00 93 I 8.61 4.66 1.50 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.20 0.92 0.00 0.00 94 R 8.36 5.23 0.00 1.48 1.61 0.00 2.49 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.00 95 E 8.23 4.56 0.00 2.18 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 0.00 2.31 2.35 0.00 96 N 8.84 5.17 0.00 2.93 2.67 0.00 0.00 6.87 6.03 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 125 V 8.61 4.44 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 1.00 0.00 0.00 0.87 0.00 0.00 126 H 8.89 4.80 0.00 3.29 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.49 3.79 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 0.00 0.00 0.00 128 A 9.82 3.95 1.46 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 0.00 0.00 129 N 8.00 4.79 0.00 2.73 2.66 0.00 0.00 6.53 8.18 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 0.00 130 H 8.13 5.10 0.00 3.02 3.20 0.00 5.52 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.44 3.85 1.63 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.97 0.65 0.00 0.00 132 F 7.61 5.36 0.00 2.25 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 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141 N 7.79 4.64 0.00 2.53 2.69 0.00 0.00 6.74 7.68 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 0.00 142 V 7.28 3.09 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 0.43 0.00 0.00 -0.30 0.00 0.00 143 E 7.84 3.86 0.00 1.89 1.98 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 2.32 2.37 0.00 144 E 7.99 4.07 0.00 2.07 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 0.00 2.02 1.75 0.00 145 A 7.64 3.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.81 4.70 0.00 3.46 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.53 3.98 0.00 1.76 1.98 0.00 3.21 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 148 R 7.88 4.14 0.00 1.94 1.87 0.00 2.82 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 149 A 7.80 4.03 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 0.00 150 K 7.97 4.33 0.00 1.89 1.92 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.52 7.81 151 M 7.47 4.22 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 152 K 8.18 4.62 0.00 1.76 1.77 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.37 7.81 153 V 7.40 4.50 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 0.76 0.00 0.00 0.90 0.00 0.00 154 T 8.69 3.92 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 0.00 155 P 0.00 4.47 0.00 2.15 2.04 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 156 T 8.10 4.38 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 1.24 0.00 0.00 157 I 8.11 5.02 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.84 0.00 0.00 158 N 9.10 4.90 0.00 2.70 2.63 0.00 0.00 7.47 7.37 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 0.00 159 I 8.47 4.68 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 1.13 0.00 0.00 160 D 9.12 4.99 0.00 2.69 2.50 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 0.00 161 S 8.33 4.85 0.00 3.97 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 0.00 162 S 9.38 4.36 0.00 3.91 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 0.00 163 P 0.00 4.34 0.00 2.31 2.12 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 164 A 8.05 4.97 1.27 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 0.00 0.00 165 G 8.24 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 166 N 7.98 4.70 0.00 2.73 2.81 0.00 0.00 7.01 7.35 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 0.00 167 A 7.59 4.30 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 * Residues marked with a * may have inaccurate shift predictions.