NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2624 8.1233 123.5844 51.9796 20.1723 176.5712 3 R 5.5698 7.8189 117.7950 55.5845 33.8362 175.5549 4 I 4.6843 8.5375 123.3792 61.6552 40.3476 178.8654 5 A 4.2445 9.3332 128.4922 52.6467 20.4519 182.1921 6 G 3.8131 9.0915 108.0789 46.2635 0.0000 174.0143 7 V 4.0528 8.5018 117.0220 60.4637 33.7180 172.7681 8 E 3.9025 9.2632 118.4755 57.0521 29.6523 174.9291 9 I 5.6134 8.1758 123.3840 58.4067 38.1497 172.7198 10 P 4.5726 0.0000 0.0000 62.2265 32.8585 176.6871 11 R 4.6232 7.8519 119.3743 55.5553 34.3489 175.5023 12 N 4.6688 8.8620 116.5139 53.4839 37.8242 175.2945 13 K 4.4910 7.4771 116.4623 54.4344 34.1519 176.1287 14 R 4.9381 8.2381 120.9470 56.1744 31.8617 178.4894 15 V 3.6110 8.2507 115.1384 64.5988 31.5784 178.6847 16 D 4.3637 8.0681 116.8272 55.9206 39.2864 177.8747 17 V 3.9438 7.7802 120.2436 64.0380 31.7418 177.5513 18 A 3.5801 7.7685 120.7199 55.1068 18.1117 179.3300 19 L 3.9118 7.8575 116.3092 58.3377 42.0113 179.2228 20 T 4.9021 7.3676 113.3681 66.6930 68.5018 176.1607 21 Y 4.5041 8.2742 113.6003 59.0823 37.8093 175.9176 22 I 5.4486 8.1286 121.5612 59.1742 38.7005 175.1076 23 Y 4.6134 8.4250 124.6773 56.0556 36.6235 174.4169 24 G 3.2180 7.5302 115.6961 44.3778 0.0000 170.8028 25 I 4.2864 7.8753 122.4708 59.4576 39.4169 174.9370 26 G 4.4242 7.8881 113.9148 43.8239 0.0000 174.5425 27 K 4.4824 8.0271 120.3522 58.4562 33.7804 177.2713 28 A 4.1457 8.0301 120.1738 53.7979 17.7833 178.8103 29 R 3.9640 8.7008 119.4400 58.6225 30.6298 177.8311 30 A 4.1444 7.8004 119.5184 55.1532 18.6217 179.3970 31 K 3.9951 8.6161 116.0502 59.3595 32.1749 178.9373 32 E 4.1364 8.6275 119.1402 59.7427 29.4551 178.7821 33 A 4.5532 8.3181 116.6717 53.2199 18.7983 178.1509 34 L 4.5377 8.9106 119.8528 54.8200 42.2379 177.4938 35 E 4.5264 7.6430 115.8911 55.8858 29.6600 176.2925 36 K 4.4413 7.7696 116.3818 56.5995 32.5652 177.1442 37 T 4.3641 7.5892 104.2309 61.4261 70.6304 173.4305 38 G 3.8789 8.0654 109.0253 47.1166 0.0000 173.5614 39 I 4.3111 7.0256 118.9002 58.5318 39.3932 175.3258 40 N 4.3532 8.6242 123.5631 53.2299 38.5641 173.7858 41 P 4.5251 0.0000 0.0000 63.2034 30.7338 176.9967 42 A 4.6223 8.4014 121.7216 52.0869 20.9209 177.8924 43 T 4.1974 7.6369 105.7637 61.2602 70.0769 172.7050 44 R 4.8942 7.7463 118.5313 54.3256 32.8238 176.9205 45 V 3.6172 7.9246 121.6379 65.9376 31.5472 177.3625 46 K 3.9251 8.1419 117.2769 59.0973 32.1758 176.1574 47 D 4.8294 8.4365 119.2886 52.0847 43.2611 175.1688 48 L 4.7351 8.4447 125.1706 55.2046 42.0879 173.7000 49 T 3.8047 8.6570 117.7330 64.2911 68.7315 174.7841 50 E 3.9595 9.1150 125.0565 59.7138 29.3351 179.5766 51 A 4.0377 7.9244 120.2294 54.8415 18.3883 179.1416 52 E 3.8633 8.1589 117.2680 59.6921 29.5245 179.4947 53 V 3.9311 7.8051 117.4540 66.1055 31.4611 177.5982 54 V 3.5766 7.4426 117.1212 66.3856 31.3200 177.4964 55 R 4.1370 8.6135 118.2805 59.8463 29.8160 177.5160 56 L 3.9272 8.9721 120.5263 58.5851 42.0426 178.9900 57 R 3.8683 8.9156 118.1898 59.7693 29.9347 178.3076 58 E 3.9070 8.7345 118.1478 60.5850 29.8030 178.4036 59 Y 4.1094 8.5949 119.9444 58.8955 38.3314 178.0213 60 V 3.1684 8.1857 118.4878 66.1651 32.0180 178.4194 61 E 3.9088 8.4741 117.5651 58.4150 28.4545 177.3867 62 N 4.7641 8.1580 115.4421 54.0285 40.0208 176.9303 63 T 3.6024 6.6379 116.5443 64.7572 68.4922 174.2798 64 W 4.5560 6.0993 111.8014 55.1318 30.9380 174.2537 65 K 4.3573 8.8597 120.5863 56.6983 33.2018 175.8863 66 L 4.4882 7.2034 125.8897 55.8342 40.2162 178.7420 67 E 3.6564 9.2727 115.4544 54.6703 31.2059 176.2896 68 G 3.9239 9.7233 114.2381 46.2981 0.0000 172.3420 69 E 4.1507 9.1888 125.3038 55.9334 30.0201 175.4729 70 L 5.4022 8.2561 135.0000 55.5189 41.8833 175.8552 71 R 3.7986 9.1817 117.8952 58.7895 29.7574 177.9760 72 A 4.1713 8.0031 120.1220 54.7946 18.9621 178.8586 73 E 3.7269 7.9178 117.4415 59.1141 29.7055 179.0318 74 V 3.5282 8.6165 119.1685 65.7871 31.6041 177.5603 75 A 3.9383 7.8452 119.8000 55.1979 18.2235 178.9780 76 A 3.9045 8.6091 119.2605 55.8692 18.4339 179.0605 77 N 4.1302 8.6996 114.4872 57.1326 38.4852 177.4108 78 I 3.7420 7.9747 120.3841 64.6180 37.4745 178.0836 79 K 3.9133 8.5450 119.2961 59.8926 31.7146 178.8039 80 R 3.7874 8.1001 118.3049 59.8055 30.0252 178.3171 81 L 4.0710 7.8700 117.6965 57.1022 41.4054 178.5278 82 M 4.2444 9.2099 116.6703 55.1551 31.9549 177.9347 83 D 3.9625 9.2223 109.8485 52.9353 42.0703 177.1179 84 I 4.2589 9.1159 112.7298 60.7793 38.0032 175.0391 85 G 3.6439 8.8015 109.4123 46.1041 0.0000 173.5552 86 C 4.4186 7.6938 116.9895 57.9518 30.9680 174.9721 87 Y 3.9307 8.7260 121.3133 60.9689 38.3120 178.5813 88 R 3.9267 8.3038 118.0639 58.8688 29.9776 177.4145 89 G 4.2037 7.9408 107.4253 48.1671 0.0000 176.5478 90 L 4.2013 7.2072 121.5776 54.7074 42.2943 175.8976 91 R 4.1884 8.6946 121.2350 58.4363 28.3496 178.3842 92 H 4.4632 7.9379 112.7513 58.9239 28.6388 176.9328 93 R 3.9255 7.0200 117.1888 58.7654 30.2616 178.0149 94 R 4.3353 7.7110 120.1651 55.8798 29.1001 176.6834 95 G 3.8073 8.4798 105.4215 47.3240 0.0000 171.5823 96 L 4.0278 10.0540 117.2835 54.1791 42.3213 175.4610 97 P 4.4138 0.0000 0.0000 62.7145 31.8320 177.1346 98 V 4.3065 7.7470 121.7518 59.9999 31.5863 175.0574 99 R 4.6873 8.4810 128.8141 56.4369 32.8087 175.5218 100 G 3.8677 8.5222 106.4670 46.3196 0.0000 172.2484 101 Q 4.5579 8.0094 122.4688 54.5164 33.2997 174.2133 102 R 4.6248 8.4041 117.8824 55.0648 31.7038 176.6499 103 T 4.4569 8.2564 111.1946 61.8594 70.6736 176.1997 104 R 4.0105 8.0924 121.9319 59.1586 30.0784 175.5759 105 T 4.5802 7.4171 104.0393 60.3377 72.0705 173.9520 106 N 3.6330 9.6238 117.2011 55.0075 38.1232 175.0839 107 A 3.8532 8.6242 123.4650 53.3066 15.8308 180.2144 108 R 4.1049 7.9136 116.3013 59.5599 30.3895 178.1170 109 T 4.0904 7.8029 114.7519 66.1371 68.6433 175.8784 110 R 4.4300 7.8637 116.5233 55.6627 30.4133 175.9062 111 K 4.4754 7.6896 117.7890 54.0213 34.7097 176.3146 112 G 4.0984 9.0998 113.0339 45.5391 0.0000 173.5836 113 P 4.2585 0.0000 0.0000 62.4198 32.2690 179.5150 114 R 4.7767 8.6560 125.4235 55.4665 32.9245 175.0797 115 K 4.3675 8.2891 114.4730 56.9354 34.5615 182.6952 116 T 2.8895 8.3915 112.0058 60.2078 70.2000 169.4193 117 V 3.1504 6.3716 133.8947 61.8548 33.7520 172.0790 118 A 3.8237 8.3841 126.7873 52.7057 18.5774 177.0882 119 G 4.2761 8.2905 111.1969 43.2611 0.0000 172.1801 120 K 4.2536 8.3403 118.3677 55.7844 32.9854 177.8305 121 K 4.4691 8.2241 123.2378 55.2493 34.4098 175.6230 122 K 4.4263 8.1457 118.9880 55.2405 35.2885 176.8105 *123 A 4.1219 8.5349 125.9915 52.5313 18.7921 176.5219 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 2 A 8.12 4.26 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 3 R 7.82 5.57 0.00 1.90 2.00 0.00 3.25 0.00 0.00 3.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 4 I 8.54 4.68 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.52 0.96 0.00 0.00 5 A 9.33 4.24 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 6 G 9.09 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 7 V 8.50 4.05 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 1.05 0.00 0.00 0.95 0.00 0.00 8 E 9.26 3.90 0.00 2.24 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 2.37 2.37 0.00 9 I 8.18 5.61 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.65 0.99 0.00 0.00 10 P 0.00 4.57 0.00 1.99 2.08 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 11 R 7.85 4.62 0.00 1.83 1.81 0.00 3.21 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 12 N 8.86 4.67 0.00 2.90 3.03 0.00 0.00 6.85 7.61 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 13 K 7.48 4.49 0.00 1.70 1.61 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.37 7.81 14 R 8.24 4.94 0.00 1.86 1.94 0.00 3.60 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 15 V 8.25 3.61 2.08 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 0.87 0.00 0.00 0.93 0.00 0.00 16 D 8.07 4.36 0.00 2.84 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 17 V 7.78 3.94 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 1.05 0.00 0.00 0.91 0.00 0.00 18 A 7.77 3.58 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 19 L 7.86 3.91 0.00 1.65 1.86 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.37 4.90 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 1.37 0.00 0.00 21 Y 8.27 4.50 0.00 2.97 2.99 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 0.00 0.00 0.00 22 I 8.13 5.45 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.74 1.13 0.00 0.00 23 Y 8.42 4.61 0.00 2.96 3.01 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 24 G 7.53 3.22 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 0.00 0.00 0.00 0.00 25 I 7.88 4.29 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 1.02 0.00 0.00 26 G 7.89 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 27 K 8.03 4.48 0.00 1.88 1.77 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.58 7.81 28 A 8.03 4.15 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 29 R 8.70 3.96 0.00 1.74 2.08 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.33 0.00 30 A 7.80 4.14 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 31 K 8.62 4.00 0.00 1.93 1.89 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.59 7.81 32 E 8.63 4.14 0.00 2.15 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 0.00 2.42 2.67 0.00 33 A 8.32 4.55 1.78 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 34 L 8.91 4.54 0.00 1.97 1.72 0.96 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.64 4.53 0.00 1.97 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 2.48 2.23 0.00 36 K 7.77 4.44 0.00 1.07 1.30 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.23 7.81 37 T 7.59 4.36 4.17 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 0.98 0.00 0.00 38 G 8.07 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 39 I 7.03 4.31 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.91 0.00 0.00 40 N 8.62 4.35 0.00 2.79 2.72 0.00 0.00 7.22 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 41 P 0.00 4.53 0.00 2.08 2.06 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 42 A 8.40 4.62 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 43 T 7.64 4.20 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 1.30 0.00 0.00 44 R 7.75 4.89 0.00 1.94 1.81 0.00 3.53 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 45 V 7.92 3.62 2.06 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 0.77 0.00 0.00 0.95 0.00 0.00 46 K 8.14 3.93 0.00 1.90 1.96 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.49 7.81 47 D 8.44 4.83 0.00 2.58 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 48 L 8.44 4.74 0.00 2.05 1.63 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.66 3.80 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 1.24 0.00 0.00 50 E 9.11 3.96 0.00 1.97 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 0.00 2.41 2.34 0.00 51 A 7.92 4.04 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 52 E 8.16 3.86 0.00 2.25 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 0.00 2.32 2.32 0.00 53 V 7.81 3.93 2.25 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 1.04 0.00 0.00 1.00 0.00 0.00 54 V 7.44 3.58 2.20 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 0.94 0.00 0.00 1.03 0.00 0.00 55 R 8.61 4.14 0.00 2.02 2.06 0.00 3.13 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 56 L 8.97 3.93 0.00 1.78 1.88 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.92 3.87 0.00 1.90 1.93 0.00 3.18 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 58 E 8.73 3.91 0.00 2.22 2.06 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 2.37 2.52 0.00 59 Y 8.59 4.11 0.00 2.95 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 60 V 8.19 3.17 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 1.07 0.00 0.00 1.14 0.00 0.00 61 E 8.47 3.91 0.00 2.11 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 2.32 2.36 0.00 62 N 8.16 4.76 0.00 2.65 2.71 0.00 0.00 6.86 6.84 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 63 T 6.64 3.60 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 0.15 0.00 0.00 64 W 6.10 4.56 0.00 3.13 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 65 K 8.86 4.36 0.00 1.89 1.90 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.40 7.81 66 L 7.20 4.49 0.00 1.79 0.91 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.27 3.66 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 68 G 9.72 3.92 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 0.00 0.00 0.00 69 E 9.19 4.15 0.00 1.93 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 2.31 2.40 0.00 70 L 8.26 5.40 0.00 1.84 1.52 0.45 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 71 R 9.18 3.80 0.00 2.50 2.09 0.00 3.15 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 72 A 8.00 4.17 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 73 E 7.92 3.73 0.00 2.03 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 2.36 2.35 0.00 74 V 8.62 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 1.07 0.00 0.00 1.05 0.00 0.00 75 A 7.85 3.94 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 76 A 8.61 3.90 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 77 N 8.70 4.13 0.00 3.00 2.91 0.00 0.00 7.12 7.57 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 78 I 7.97 3.74 1.98 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 1.50 0.65 0.82 0.00 0.00 79 K 8.55 3.91 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.60 7.81 80 R 8.10 3.79 0.00 1.90 2.11 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 81 L 7.87 4.07 0.00 1.96 1.73 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 82 M 9.21 4.24 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 83 D 9.22 3.96 0.00 2.86 2.33 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 84 I 9.12 4.26 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.91 0.91 0.00 0.00 85 G 8.80 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 86 C 7.69 4.42 0.00 3.16 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 87 Y 8.73 3.93 0.00 3.09 3.03 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 88 R 8.30 3.93 0.00 1.89 1.98 0.00 3.30 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 89 G 7.94 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 0.00 0.00 0.00 0.00 90 L 7.21 4.20 0.00 1.47 1.53 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.69 4.19 0.00 1.79 1.95 0.00 3.11 0.00 0.00 3.02 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.90 0.00 92 H 7.94 4.46 0.00 3.45 3.31 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.02 3.93 0.00 1.82 1.92 0.00 3.34 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 94 R 7.71 4.34 0.00 1.92 1.83 0.00 3.41 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 95 G 8.48 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 96 L 10.05 4.03 0.00 1.61 1.64 0.90 1.02 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 97 P 0.00 4.41 0.00 2.06 1.99 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 98 V 7.75 4.31 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 0.81 0.00 0.00 0.91 0.00 0.00 99 R 8.48 4.69 0.00 1.82 1.87 0.00 3.43 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 100 G 8.52 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 0.00 101 Q 8.01 4.56 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 102 R 8.40 4.62 0.00 1.79 1.85 0.00 3.33 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 103 T 8.26 4.46 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 0.00 104 R 8.09 4.01 0.00 1.79 2.03 0.00 3.23 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 105 T 7.42 4.58 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 0.00 106 N 9.62 3.63 0.00 2.83 2.85 0.00 0.00 7.05 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 0.00 107 A 8.62 3.85 1.48 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 0.00 108 R 7.91 4.10 0.00 1.79 2.01 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 109 T 7.80 4.09 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 1.20 0.00 0.00 110 R 7.86 4.43 0.00 1.79 2.30 0.00 3.17 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 111 K 7.69 4.48 0.00 1.78 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 112 G 9.10 4.10 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 0.00 113 P 0.00 4.26 0.00 2.06 1.04 0.00 3.61 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 2.02 2.16 0.00 114 R 8.66 4.78 0.00 1.75 1.80 0.00 3.31 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 1.51 1.54 0.00 115 K 8.29 4.37 0.00 1.79 1.73 0.00 1.57 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.49 7.81 116 T 8.39 2.89 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 0.00 117 V 6.37 3.15 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 0.69 0.00 0.00 1.02 0.00 0.00 118 A 8.38 3.82 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 0.00 119 G 8.29 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 0.00 0.00 0.00 0.00 120 K 8.34 4.25 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.40 7.81 121 K 8.22 4.47 0.00 1.74 1.78 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.41 7.81 122 K 8.15 4.43 0.00 1.65 1.62 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.40 7.81 *123 A 8.53 4.12 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 * Residues marked with a * may have inaccurate shift predictions.