NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 F 5.1276 8.4245 119.4214 57.7990 40.7765 173.9753 *7 R 4.3088 9.5796 121.8577 57.1207 32.6778 174.1373 8 K 4.9663 9.2789 124.5258 54.4382 35.0511 173.9536 9 I 4.7878 8.8508 128.7904 59.3443 40.2184 174.7847 10 A 4.6446 8.3629 129.1134 50.8953 20.7544 176.0046 11 L 4.7550 8.5279 123.3054 52.9865 44.4149 175.2040 12 V 3.8635 8.4060 128.1012 63.7152 32.4905 176.6134 13 G 3.9780 9.3326 116.5487 44.8161 0.0000 172.6306 14 A 4.3959 7.5755 121.0135 51.9382 18.7723 177.2195 15 S 4.7043 7.9479 113.9784 56.6206 65.6645 174.2051 16 K 3.8030 7.2971 122.9959 57.4284 32.4077 176.7811 17 N 4.4341 8.1653 119.2431 52.3145 38.3735 173.7194 18 P 4.5898 0.0000 0.0000 64.6231 31.4739 177.2115 19 A 4.0961 8.2307 120.8335 53.1732 18.9844 177.7947 20 K 4.5114 7.7747 116.4543 54.7911 35.0947 177.1814 21 Y 4.2403 8.5645 120.3560 61.1190 37.6704 179.2202 22 G 4.0644 8.2389 107.7311 46.9952 0.0000 175.0216 23 N 4.3771 7.9804 118.4226 56.3275 39.2248 176.8804 24 I 3.6695 7.6268 121.1431 64.5030 37.1946 178.4737 25 I 3.6885 8.1978 120.8216 64.2266 36.9715 177.9447 26 L 3.8786 7.9598 120.6250 58.3543 41.8307 179.0834 27 K 3.9474 8.1567 118.1009 59.3811 31.8493 178.7392 28 D 4.3528 8.2599 118.3421 57.5750 41.3031 178.4534 29 L 4.1278 8.3355 119.7679 57.7511 41.5804 179.4893 30 L 4.0976 8.0834 119.3170 57.8391 41.3582 179.7334 31 S 4.2485 8.1184 113.0500 60.7719 62.9201 175.6714 32 K 4.4125 7.6217 120.0223 55.8203 32.1217 177.4552 33 G 3.8515 7.9088 107.6158 45.3156 0.0000 174.0386 34 F 4.3703 7.7029 117.8072 57.0245 39.9902 174.8230 35 E 4.2821 8.8372 123.6531 55.9333 30.5939 175.4098 36 V 4.8264 8.4480 126.5281 61.0980 34.4396 174.5087 37 L 4.7960 8.8023 128.9120 52.1346 43.2295 174.1597 38 P 4.5896 0.0000 0.0000 62.7481 33.0817 175.7156 39 V 4.8067 8.4485 121.5758 61.8728 34.6093 173.9485 40 N 4.6115 9.0253 122.8646 52.5610 42.2971 173.6254 41 P 4.3434 0.0000 0.0000 65.2276 31.6888 177.5424 42 N 4.2164 8.4283 115.4566 54.8882 38.5531 174.8374 43 Y 4.9309 7.1986 115.0288 56.0374 41.0982 175.3590 44 D 4.6227 8.7573 122.8507 54.7993 40.5364 175.9609 45 E 5.2036 7.7869 115.5257 54.7881 32.5566 174.2679 46 I 4.3977 8.2985 121.0101 60.8480 40.3773 175.5886 47 E 3.8655 9.9641 123.5453 57.2933 26.9689 176.0024 48 G 3.9785 8.6559 107.4753 45.3891 0.0000 174.7122 49 L 4.2048 7.7505 121.0936 53.5556 42.4010 176.0285 50 K 3.8820 8.6321 124.1005 57.5557 32.4835 174.8857 51 C 4.9468 8.4368 127.8981 57.9276 33.1276 172.7484 52 Y 4.2849 9.1415 124.6372 57.4876 38.5727 177.2430 53 R 3.9378 8.7735 122.4934 59.0011 30.7499 177.0297 54 S 4.7015 7.6049 109.8451 56.7100 66.0909 175.2209 55 V 3.6185 8.2779 113.7051 64.0128 31.4883 179.0424 56 R 4.1080 7.5805 117.6843 58.8084 29.9007 177.3406 57 E 4.4406 7.8807 114.8095 56.6420 30.0459 176.7926 58 L 3.6419 7.4456 119.9216 53.2508 42.1456 175.3034 59 P 4.4747 0.0000 0.0000 62.8152 31.7498 177.5323 60 K 4.1281 8.6191 119.4008 58.4863 32.2236 177.3275 61 D 4.7894 7.9679 117.6231 52.8743 39.6267 176.4819 62 V 3.7117 7.4662 120.3920 63.5764 31.9045 175.7233 63 D 4.8365 9.2022 128.4470 57.0265 41.5206 177.2484 64 V 4.6326 7.3979 115.8432 60.1604 35.2861 173.8168 65 I 4.5042 8.5726 123.8176 59.6445 39.3948 174.6263 66 V 4.6305 8.5331 128.3372 61.6423 33.3074 174.3932 67 F 5.0800 9.5533 127.4318 55.0994 40.9582 176.5177 68 V 4.7477 8.5995 126.0533 61.8252 30.3660 175.6587 69 V 4.6114 7.8075 112.4011 59.2375 35.5177 174.0269 70 P 4.4791 0.0000 0.0000 62.1699 33.0342 175.8651 71 P 4.3230 0.0000 0.0000 66.2469 30.5127 178.9460 72 K 3.9112 7.9880 117.5957 59.2192 32.0183 179.3160 73 V 3.6225 7.8176 118.1742 65.9591 31.5565 178.0415 74 G 3.9748 8.5140 105.8848 47.8097 0.0000 175.2757 75 L 3.8795 8.1936 122.6825 58.0213 42.1024 179.1155 76 Q 3.8868 7.5423 117.5685 59.1089 28.6530 179.1060 77 V 3.6957 8.0209 118.9831 65.9448 31.5472 177.9114 78 A 4.3804 8.7299 121.1139 55.0173 18.1224 179.7278 79 K 3.8786 7.8769 117.0145 59.7021 32.1438 179.3249 80 E 4.0142 8.2598 118.5380 59.3750 29.3107 179.2925 81 A 4.3051 8.6077 121.1784 55.3184 18.5116 179.9165 82 V 3.8400 8.2938 116.8117 66.2869 31.4768 177.7548 83 E 3.9980 8.5124 117.9474 59.1023 29.5281 177.8116 84 A 4.3597 7.9699 117.9619 52.2338 18.8989 177.9125 85 G 3.7477 7.9856 106.0410 45.0175 0.0000 173.8837 86 F 4.5527 8.1443 120.8517 57.6062 39.8641 176.2481 87 K 4.7685 8.8244 124.6665 54.6218 34.7763 174.6087 88 K 5.1142 8.2811 118.9843 55.8087 35.6089 174.9742 89 L 5.2194 9.1469 125.9320 52.6252 44.8466 175.5430 90 W 5.0766 9.5891 135.0000 55.7206 32.7266 174.3843 91 F 5.2104 9.0718 127.0828 55.6727 39.9252 176.1132 92 Q 4.4024 9.0630 123.6040 55.1066 29.9929 174.5997 93 P 4.4357 0.0000 0.0000 64.4829 31.7140 176.4416 94 G 4.0008 9.3165 111.6878 45.4357 0.0000 174.2477 95 A 4.6055 8.0483 120.4112 51.9265 19.6671 177.2398 96 E 3.4060 7.5495 113.4975 55.6339 30.8598 176.0427 97 S 4.4198 6.9087 112.5546 56.4334 66.8330 175.3720 98 E 4.0414 8.5707 122.0499 59.3323 29.2159 179.1181 99 E 3.9714 8.1072 119.1348 59.2963 29.6189 178.8413 100 I 3.6708 7.8595 119.9416 64.1615 37.0356 178.2713 101 R 3.2978 8.1125 121.9991 59.8945 30.0114 179.1833 102 R 3.8902 8.3802 120.6284 61.5643 29.3445 180.3076 103 F 4.3789 8.1501 121.6499 61.0842 39.5356 177.2827 104 L 3.6534 8.0685 118.8690 57.6388 41.1230 179.3375 105 E 3.9878 8.0845 118.0983 59.2215 29.4458 179.0087 106 K 4.0006 7.6273 118.2679 59.3573 32.3614 178.5257 107 A 3.9986 7.6981 119.9253 52.4366 18.3853 177.4315 108 G 3.7530 7.5881 104.6743 46.9494 0.0000 173.9954 109 V 4.4617 7.5699 111.0603 59.2338 34.3236 176.0248 110 E 4.4128 8.8750 122.6581 56.7326 30.5085 175.7084 111 Y 6.0615 7.8113 119.9152 55.7045 41.7478 173.8272 112 S 4.4858 8.9453 113.7424 56.5441 65.6998 172.4735 113 F 5.2745 8.7811 124.8557 56.7262 42.1436 176.5694 114 G 3.8596 9.0238 108.7840 45.8297 0.0000 173.4310 115 R 4.6094 7.1756 117.5449 54.2522 32.4523 175.4041 116 C 4.6327 8.6368 119.9127 58.5981 28.6829 175.0590 117 I 3.3599 9.1833 125.8451 61.4795 37.3716 177.8396 *119 V 4.0464 7.9304 118.4142 62.5383 32.7629 176.6475 120 E 4.2051 8.5434 117.8912 58.7216 29.6304 177.1915 121 T 4.2562 7.7685 113.2933 61.6749 69.0572 174.4170 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 6 F 8.42 5.13 0.00 3.23 2.97 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 *7 R 9.58 4.31 0.00 1.45 1.85 0.00 3.22 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 8 K 9.28 4.97 0.00 1.85 1.71 0.00 1.65 0.00 0.00 2.08 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.44 7.81 9 I 8.85 4.79 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 0.72 0.57 0.54 0.00 0.00 10 A 8.36 4.64 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 11 L 8.53 4.75 0.00 1.59 1.44 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.41 3.86 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 0.75 0.00 0.00 0.31 0.00 0.00 13 G 9.33 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 0.00 0.00 0.00 14 A 7.58 4.40 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 15 S 7.95 4.70 0.00 3.86 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 16 K 7.30 3.80 0.00 1.14 1.56 0.00 1.58 0.00 0.00 1.35 0.00 0.00 2.71 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.08 0.48 7.81 17 N 8.17 4.43 0.00 2.74 2.72 0.00 0.00 6.78 7.34 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 18 P 0.00 4.59 0.00 2.17 2.12 0.00 3.38 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 19 A 8.23 4.10 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 20 K 7.77 4.51 0.00 1.90 1.74 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.62 7.81 21 Y 8.56 4.24 0.00 3.06 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 22 G 8.24 4.06 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 0.00 0.00 0.00 23 N 7.98 4.38 0.00 2.87 2.90 0.00 0.00 7.22 7.82 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 24 I 7.63 3.67 1.89 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.41 0.94 0.00 0.00 25 I 8.20 3.69 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.82 0.00 0.00 26 L 7.96 3.88 0.00 1.85 1.84 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.16 3.95 0.00 1.83 1.84 0.00 1.70 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.56 7.81 28 D 8.26 4.35 0.00 2.88 2.83 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 29 L 8.34 4.13 0.00 1.64 1.62 0.60 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.08 4.10 0.00 1.88 1.74 0.92 0.81 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 31 S 8.12 4.25 0.00 4.05 4.16 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 32 K 7.62 4.41 0.00 2.19 1.99 0.00 1.96 0.00 0.00 2.06 0.00 0.00 3.10 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.51 1.65 7.81 33 G 7.91 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 34 F 7.70 4.37 0.00 3.16 2.97 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 35 E 8.84 4.28 0.00 2.11 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 2.33 2.29 0.00 36 V 8.45 4.83 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 0.86 0.00 0.00 0.94 0.00 0.00 37 L 8.80 4.80 0.00 1.50 1.49 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.59 0.00 2.16 2.18 0.00 3.90 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.97 0.00 39 V 8.45 4.81 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 0.88 0.00 0.00 0.85 0.00 0.00 40 N 9.03 4.61 0.00 2.93 2.80 0.00 0.00 6.80 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 41 P 0.00 4.34 0.00 2.01 2.07 0.00 3.69 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 2.26 0.00 42 N 8.43 4.22 0.00 1.71 1.82 0.00 0.00 6.76 7.01 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 43 Y 7.20 4.93 0.00 2.94 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 44 D 8.76 4.62 0.00 2.80 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 45 E 7.79 5.20 0.00 2.09 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 2.16 2.39 0.00 46 I 8.30 4.40 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.70 0.82 0.00 0.00 47 E 9.96 3.87 0.00 2.05 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 2.17 2.19 0.00 48 G 8.66 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 0.00 0.00 0.00 49 L 7.75 4.20 0.00 1.85 1.61 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.63 3.88 0.00 1.63 1.67 0.00 1.36 0.00 0.00 1.41 0.00 0.00 2.44 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.95 0.82 7.81 51 C 8.44 4.95 0.00 3.05 2.88 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 52 Y 9.14 4.28 0.00 2.88 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 R 8.77 3.94 0.00 2.30 2.00 0.00 3.27 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 54 S 7.60 4.70 0.00 3.97 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 55 V 8.28 3.62 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 0.52 0.00 0.00 1.01 0.00 0.00 56 R 7.58 4.11 0.00 2.14 2.06 0.00 3.27 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.48 0.00 57 E 7.88 4.44 0.00 2.36 2.26 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 2.40 2.36 0.00 58 L 7.45 3.64 0.00 1.70 1.37 0.32 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.47 0.00 2.47 2.22 0.00 3.31 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 60 K 8.62 4.13 0.00 1.76 1.81 0.00 1.53 0.00 0.00 1.51 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.32 7.81 61 D 7.97 4.79 0.00 2.82 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 62 V 7.47 3.71 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 0.59 0.00 0.00 0.84 0.00 0.00 63 D 9.20 4.84 0.00 2.76 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 64 V 7.40 4.63 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 -0.35 0.00 0.00 0.72 0.00 0.00 65 I 8.57 4.50 1.83 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.34 0.27 0.00 0.00 66 V 8.53 4.63 1.83 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 0.90 0.00 0.00 0.43 0.00 0.00 67 F 9.55 5.08 0.00 2.58 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.60 4.75 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 0.81 0.00 0.00 1.02 0.00 0.00 69 V 7.81 4.61 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 1.01 0.00 0.00 1.16 0.00 0.00 70 P 0.00 4.48 0.00 2.18 1.99 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 71 P 0.00 4.32 0.00 2.18 2.34 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 72 K 7.99 3.91 0.00 1.91 1.89 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.07 7.81 73 V 7.82 3.62 2.29 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 1.10 0.00 0.00 0.96 0.00 0.00 74 G 8.51 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 75 L 8.19 3.88 0.00 1.79 1.61 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.54 3.89 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 77 V 8.02 3.70 2.43 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 1.08 0.00 0.00 1.05 0.00 0.00 78 A 8.73 4.38 1.58 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 79 K 7.88 3.88 0.00 1.99 1.75 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.36 7.81 80 E 8.26 4.01 0.00 2.30 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 0.00 2.37 2.49 0.00 81 A 8.61 4.31 1.62 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 0.00 0.00 82 V 8.29 3.84 2.46 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 1.06 0.00 0.00 1.19 0.00 0.00 83 E 8.51 4.00 0.00 2.24 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 2.37 2.39 0.00 84 A 7.97 4.36 1.52 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 0.00 0.00 0.00 85 G 7.99 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 0.00 0.00 0.00 86 F 8.14 4.55 0.00 3.27 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 87 K 8.82 4.77 0.00 1.39 1.71 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.00 7.81 88 K 8.28 5.11 0.00 1.91 1.88 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.57 7.81 89 L 9.15 5.22 0.00 1.82 1.53 1.20 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 90 W 9.59 5.08 0.00 3.43 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 91 F 9.07 5.21 0.00 2.99 2.88 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 92 Q 9.06 4.40 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.92 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 93 P 0.00 4.44 0.00 2.00 2.00 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 94 G 9.32 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.61 1.61 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 0.00 0.00 96 E 7.55 3.41 0.00 1.16 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 1.66 1.48 0.00 97 S 6.91 4.42 0.00 3.92 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 98 E 8.57 4.04 0.00 1.99 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 2.40 2.31 0.00 99 E 8.11 3.97 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 2.34 2.39 0.00 100 I 7.86 3.67 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.35 0.32 0.00 0.00 101 R 8.11 3.30 0.00 2.04 1.98 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.99 0.00 102 R 8.38 3.89 0.00 1.80 1.94 0.00 3.33 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 103 F 8.15 4.38 0.00 3.12 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 0.00 104 L 8.07 3.65 0.00 1.34 1.51 0.77 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.08 3.99 0.00 1.84 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 2.43 2.43 0.00 106 K 7.63 4.00 0.00 2.11 1.85 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.33 7.81 107 A 7.70 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.59 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 0.00 0.00 0.00 109 V 7.57 4.46 2.35 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 0.76 0.00 0.00 1.02 0.00 0.00 110 E 8.87 4.41 0.00 2.15 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 2.33 2.30 0.00 111 Y 7.81 6.06 0.00 3.20 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 0.00 112 S 8.95 4.49 0.00 3.45 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 0.00 113 F 8.78 5.27 0.00 2.95 2.83 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 0.00 114 G 9.02 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 0.00 115 R 7.18 4.61 0.00 1.41 1.94 0.00 3.21 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.40 0.00 116 C 8.64 4.63 0.00 3.08 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 0.00 117 I 9.18 3.36 1.30 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.72 0.79 0.00 0.00 *119 V 7.93 4.05 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 0.92 0.00 0.00 0.98 0.00 0.00 120 E 8.54 4.21 0.00 2.13 2.22 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 2.93 3.05 0.00 121 T 7.77 4.26 4.47 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 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.