NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.4850 8.1844 120.6281 54.2393 43.0981 176.3310 1 V 3.7426 8.1449 122.9372 62.7989 32.3199 174.0777 2 K 4.4567 8.8501 122.0714 56.4619 36.9706 174.7430 3 K 4.5111 8.1458 121.6958 54.8531 33.6851 175.0219 4 V 4.8967 8.4876 128.2054 61.1028 34.3302 174.0303 5 L 5.1433 8.5710 128.5730 53.2103 44.8795 174.6070 6 L 5.0329 9.4481 129.6140 54.1967 43.6581 175.0831 7 I 5.1943 8.9813 127.1564 59.6286 40.6557 174.1626 8 N 5.3850 9.3848 124.5197 51.7010 41.5589 175.3170 9 G 4.2354 8.7080 113.7294 43.9736 0.0000 171.6255 10 P 4.4663 0.0000 0.0000 64.0718 31.9178 177.6288 11 N 4.4681 9.4789 116.5305 54.2793 38.5472 176.8698 12 L 4.1138 7.8377 118.4976 57.5024 41.7803 178.8527 13 N 4.2435 8.1945 114.8736 55.3687 37.2558 175.1944 14 L 4.4203 8.3271 118.4011 54.3993 42.5042 176.1006 15 L 4.2750 7.9391 121.3333 55.0126 41.2559 176.3782 16 G 4.0336 8.4791 110.0284 44.4667 0.0000 171.8995 17 T 4.3683 8.0070 121.6777 64.1833 70.2818 176.9024 18 R 3.8943 8.0028 120.7283 59.4599 30.2841 177.3590 *23 Y 4.5565 7.6634 115.9124 57.0183 40.1868 174.3365 24 G 3.9257 7.5217 106.1617 42.8976 0.0000 175.3366 25 T 4.0955 8.1017 105.8400 62.1291 67.9816 174.1654 26 T 4.2878 8.2095 120.4321 63.6572 69.1022 174.8679 27 S 5.1975 8.6040 120.7647 55.6392 65.5924 174.9574 28 L 3.8200 8.4726 121.9697 58.5113 41.5982 178.6365 29 S 4.0596 7.5313 112.4107 61.7967 62.0945 176.0306 30 D 4.3465 7.8043 120.7024 57.3564 40.5653 178.8825 31 I 3.5846 7.5426 119.7171 64.2636 37.1769 177.9704 32 E 3.8786 8.0085 119.2969 59.8713 29.2561 179.0746 33 Q 3.9339 8.5958 117.8821 59.0331 28.7036 179.0390 34 A 3.9405 8.4273 121.4579 55.3035 18.5645 179.3825 35 A 3.9954 8.0608 119.0008 55.4174 18.5979 179.5154 36 I 3.6167 7.7983 117.9659 64.7389 37.1966 178.2072 37 E 3.8466 8.5648 119.8593 59.3568 29.3631 178.2566 38 Q 3.8965 8.6493 120.1089 59.3554 28.9234 179.0804 39 A 4.0417 8.0178 121.2991 55.3040 18.4543 179.1640 40 K 3.7507 7.8826 116.6362 60.1507 32.0155 179.1770 41 L 4.1442 8.0543 118.5224 57.8558 41.6831 179.6756 42 K 3.9871 7.5374 117.5527 57.7189 31.9590 176.6301 43 N 4.7897 8.8346 117.1594 53.1646 39.4520 173.7412 44 N 4.8040 7.7919 113.9735 53.6268 38.3855 174.1913 45 D 4.3361 8.1441 113.5527 56.7085 38.6190 173.9074 46 S 4.7221 7.5786 112.0008 58.7457 64.6822 174.9204 47 E 4.6574 8.8198 120.3231 55.3775 33.4361 173.7742 48 V 4.7931 8.4467 126.7994 61.2897 33.2226 174.8859 49 L 4.6339 8.9610 128.4631 54.1013 43.4314 176.1963 50 V 5.0992 8.1847 113.9289 60.0387 35.1268 174.6918 51 F 4.9667 8.7565 123.1421 57.5719 43.3345 172.8222 52 Q 5.3881 7.0447 123.9072 55.2975 31.7142 173.3295 53 S 4.6539 8.3878 119.7094 56.9371 65.5471 173.1854 54 N 4.5587 8.9285 120.2729 54.6167 39.3051 176.0998 55 T 4.2695 7.7531 116.5820 61.9053 69.4479 174.7983 56 E 3.8248 8.7756 127.1019 59.4040 29.5591 178.9286 57 G 3.7471 7.8547 104.9831 47.9029 0.0000 175.2279 58 F 4.6110 8.1922 119.5484 60.7138 38.9577 177.6698 59 I 3.9514 7.7388 119.4293 64.4232 36.9155 178.5009 60 I 3.6185 7.8256 120.5747 64.5835 36.9556 178.0886 61 D 4.2008 8.8108 120.6031 57.3681 40.5403 179.0731 62 R 3.5810 8.0807 119.3912 59.2481 29.9951 178.4815 63 I 3.6272 7.7453 119.6901 64.7036 37.0472 177.7702 64 H 4.0780 8.1066 116.8993 59.0318 28.6097 176.9679 65 E 3.8243 8.3001 120.4554 59.5763 29.3476 178.5794 66 A 3.9229 8.1223 120.9843 55.3783 18.3454 179.5559 67 K 3.8835 7.8952 117.3380 59.7069 32.0746 179.0084 68 R 4.0574 7.6271 116.4074 58.1543 30.0534 177.7718 69 Q 4.4428 7.8644 116.7812 54.4680 29.1367 175.4730 70 G 4.0265 8.2993 108.3261 46.1031 0.0000 174.5221 71 V 3.7300 7.9453 118.5418 62.8061 32.0588 175.5596 72 G 4.2190 8.7045 112.7384 46.5708 0.0000 172.9761 73 F 4.9442 7.9448 121.2808 56.9625 43.2791 172.7519 74 V 4.9932 8.4686 123.7018 61.1093 34.7816 174.1536 75 V 5.0203 9.2724 127.7459 61.2334 33.9427 173.9841 76 I 4.9728 8.9374 128.0623 59.2640 41.2799 173.2918 77 N 5.3318 9.6270 128.5694 51.3508 40.0795 174.4963 78 A 4.5033 8.7522 128.8846 51.0551 20.5361 177.8661 79 G 3.6552 8.3594 106.8666 46.2769 0.0000 176.0329 80 A 4.1074 8.7070 121.9662 55.9054 18.5026 179.4516 81 Y 4.7541 7.9439 114.3673 60.6234 37.6949 178.5232 82 T 4.0506 7.9692 117.2335 66.7292 68.3579 174.8713 83 H 5.1271 8.6644 115.2741 56.1528 29.4234 175.6020 84 T 4.7070 7.7860 108.4680 60.8842 70.2650 173.0629 85 S 4.6642 8.6082 117.3960 55.9750 61.4489 174.2993 86 V 3.4853 7.6121 127.7335 64.6807 31.2946 177.6987 87 G 3.4801 7.7454 105.4741 47.9662 0.0000 175.5924 88 I 3.6301 7.9229 123.3188 63.6435 36.9892 178.1527 89 R 3.8470 7.4744 118.3584 60.0480 29.9205 178.2719 90 D 4.3432 8.1583 117.6048 56.6939 40.7332 178.7763 91 A 3.9930 7.8513 121.9005 55.1694 18.4290 179.6994 92 L 3.9517 7.9644 117.5606 57.8771 41.4381 179.7547 93 L 4.1843 8.1955 118.6270 57.4526 41.5494 179.5281 94 G 3.7199 7.7305 105.3181 47.8213 0.0000 175.7064 95 T 4.0666 7.9406 110.5927 61.8438 69.0913 175.0023 96 A 3.7541 8.0011 122.9621 52.8689 16.4818 177.1665 97 I 4.1844 7.1796 118.8034 61.5116 38.0182 174.7774 98 P 4.2934 0.0000 0.0000 62.6852 32.5079 175.2031 99 F 5.5731 7.3854 116.0357 54.9141 42.1186 172.7897 100 I 4.8874 8.4984 118.9937 59.4956 40.7832 174.1657 101 E 4.8997 8.8390 127.5650 55.1551 31.1265 174.7299 102 V 4.8081 8.8178 127.1231 61.3360 34.3674 173.7570 103 H 4.8950 8.7709 124.3260 53.9642 31.3560 174.9423 104 I 3.8331 8.7323 124.1911 63.7973 38.0472 176.2213 105 T 4.6738 7.7164 109.4389 59.2218 71.3478 173.5271 106 N 4.5033 8.3835 120.5949 52.9910 38.4109 175.9302 107 V 3.5282 8.1840 120.7348 64.4962 31.8377 178.4777 108 H 4.0387 7.8278 115.3445 57.9409 28.5992 176.0616 109 Q 4.2325 7.9446 117.1941 56.7561 29.1808 175.9044 110 R 4.8361 7.5783 118.6004 54.4396 32.6312 175.2054 111 E 3.9321 8.2950 117.9816 56.9195 30.1453 176.2281 112 P 3.6114 0.0000 0.0000 65.4935 30.7737 178.8625 113 F 4.2235 8.0588 112.9128 59.8129 37.3300 176.7534 114 R 3.8170 7.0070 116.0338 57.1553 30.1392 177.4903 115 H 4.3552 8.1000 116.0533 56.5674 29.2255 175.1500 116 Q 4.5559 7.0683 118.9977 54.4212 30.1714 175.0610 117 S 4.8023 8.0331 114.3913 57.1163 65.4156 173.2982 118 Y 4.4783 8.8173 123.8044 58.5470 38.3374 176.0900 119 L 4.6500 7.9339 120.6109 56.9374 43.2920 178.6968 120 S 4.1916 8.7641 115.6117 61.8699 62.7144 176.4976 121 D 4.5940 8.1343 115.9140 54.6203 39.4657 176.5389 122 K 4.3956 8.1029 117.7963 55.9707 33.3211 176.2272 123 A 2.9523 7.2817 122.1310 51.2987 19.0822 178.2142 124 V 3.7390 7.8691 120.6170 65.5578 32.0335 175.9228 125 A 4.7140 7.5540 119.5799 50.1656 23.4226 174.3349 126 V 4.6116 8.1477 117.7779 61.3952 34.1926 174.5800 127 I 4.5449 8.5129 129.6108 59.7296 39.0512 174.6460 128 C 4.9611 8.6215 121.6209 57.5397 32.1537 174.2853 129 G 3.9147 9.3649 111.8326 45.4808 0.0000 173.3247 130 L 4.2696 7.8201 118.8662 53.9546 42.4881 177.9529 131 G 4.0247 7.9848 108.2084 45.5527 0.0000 174.4744 132 V 3.8801 8.4612 110.5969 64.8553 31.2013 177.8081 133 Y 4.4330 8.3257 118.8431 60.4548 38.5894 178.0570 134 G 3.4306 8.4341 107.2493 47.7132 0.0000 174.9209 135 Y 4.1273 7.4447 119.0129 61.5004 37.8961 178.9099 136 T 4.1163 8.2332 116.7439 66.0366 68.6007 176.2903 137 A 3.7465 7.7876 122.4417 54.8888 18.2621 179.5014 138 A 3.8957 7.9062 119.2011 55.4899 18.5451 179.7492 139 I 3.6181 7.9911 118.5189 64.7674 36.9371 178.5425 140 E 3.9626 8.1432 118.5394 59.5080 29.3546 178.4576 141 Y 3.9630 7.8643 118.4703 60.7643 39.0836 177.2342 142 A 2.7266 8.0679 122.0064 54.4210 18.1372 178.9793 143 L 4.0540 7.3515 114.7937 55.9471 42.5390 177.7205 144 N 4.8758 7.7826 113.6498 52.5864 40.5951 173.1383 145 Y 4.1450 7.4990 120.3728 57.5554 40.5828 175.2678 146 Q 3.3845 7.8249 126.4843 56.1916 29.9471 174.5078 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 0 L 8.18 4.48 0.00 1.65 1.66 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 1 V 8.14 3.74 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 0.81 0.00 0.00 1.18 0.00 0.00 2 K 8.85 4.46 0.00 1.69 1.92 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.35 7.81 3 K 8.15 4.51 0.00 1.89 1.73 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.49 7.81 4 V 8.49 4.90 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 1.06 0.00 0.00 0.95 0.00 0.00 5 L 8.57 5.14 0.00 1.84 1.53 1.02 0.48 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 6 L 9.45 5.03 0.00 1.83 1.62 1.16 0.60 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 7 I 8.98 5.19 1.96 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 1.35 0.73 1.08 0.00 0.00 8 N 9.38 5.39 0.00 2.65 2.69 0.00 0.00 6.49 7.25 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 9 G 8.71 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 0.00 0.00 0.00 0.00 10 P 0.00 4.47 0.00 1.92 2.02 0.00 3.71 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.44 0.00 11 N 9.48 4.47 0.00 2.89 3.00 0.00 0.00 7.14 6.60 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 12 L 7.84 4.11 0.00 1.92 1.72 1.03 0.46 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 13 N 8.19 4.24 0.00 2.79 3.15 0.00 0.00 5.99 7.79 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 14 L 8.33 4.42 0.00 1.81 1.72 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.94 4.27 0.00 1.86 1.81 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.48 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 17 T 8.01 4.37 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 1.21 0.00 0.00 18 R 8.00 3.89 0.00 1.82 2.04 0.00 3.28 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 *23 Y 7.66 4.56 0.00 3.04 3.05 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 0.00 0.00 0.00 0.00 24 G 7.52 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 0.00 0.00 0.00 25 T 8.10 4.10 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 1.13 0.00 0.00 26 T 8.21 4.29 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 27 S 8.60 5.20 0.00 3.98 3.96 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 28 L 8.47 3.82 0.00 1.89 1.67 0.84 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 29 S 7.53 4.06 0.00 4.01 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 30 D 7.80 4.35 0.00 2.87 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 31 I 7.54 3.58 1.72 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 1.53 0.97 0.11 0.00 0.00 32 E 8.01 3.88 0.00 2.11 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 2.24 2.46 0.00 33 Q 8.60 3.93 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 34 A 8.43 3.94 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 35 A 8.06 4.00 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 36 I 7.80 3.62 2.10 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 1.42 1.17 0.92 0.00 0.00 37 E 8.56 3.85 0.00 2.21 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 2.31 2.36 0.00 38 Q 8.65 3.90 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 39 A 8.02 4.04 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 K 7.88 3.75 0.00 2.06 1.89 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.27 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 41 L 8.05 4.14 0.00 1.87 1.78 0.93 0.97 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 42 K 7.54 3.99 0.00 1.75 1.87 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.58 7.81 43 N 8.83 4.79 0.00 2.76 3.16 0.00 0.00 7.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.79 4.80 0.00 2.84 2.88 0.00 0.00 6.19 8.06 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 45 D 8.14 4.34 0.00 2.78 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 46 S 7.58 4.72 0.00 3.98 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 47 E 8.82 4.66 0.00 2.04 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 0.00 2.23 2.25 0.00 48 V 8.45 4.79 2.24 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 0.90 0.00 0.00 0.96 0.00 0.00 49 L 8.96 4.63 0.00 1.66 1.59 0.93 0.71 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 50 V 8.18 5.10 2.28 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 0.70 0.00 0.00 0.95 0.00 0.00 51 F 8.76 4.97 0.00 3.09 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 52 Q 7.04 5.39 0.00 1.92 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.07 0.00 53 S 8.39 4.65 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 54 N 8.93 4.56 0.00 2.74 2.83 0.00 0.00 6.94 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 55 T 7.75 4.27 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 56 E 8.78 3.82 0.00 1.16 1.59 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 2.07 1.74 0.00 57 G 7.85 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 58 F 8.19 4.61 0.00 3.37 3.25 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 0.00 59 I 7.74 3.95 2.10 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 1.88 1.03 1.01 0.00 0.00 60 I 7.83 3.62 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.79 0.00 0.00 61 D 8.81 4.20 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 62 R 8.08 3.58 0.00 1.19 1.69 0.00 2.78 0.00 0.00 2.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 63 I 7.75 3.63 1.85 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 1.46 0.96 0.90 0.00 0.00 64 H 8.11 4.08 0.00 3.32 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.30 3.82 0.00 2.00 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 2.23 2.34 0.00 66 A 8.12 3.92 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 67 K 7.90 3.88 0.00 1.87 1.97 0.00 1.53 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.52 7.81 68 R 7.63 4.06 0.00 1.87 1.97 0.00 3.20 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 69 Q 7.86 4.44 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 70 G 8.30 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 71 V 7.95 3.73 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 0.90 0.00 0.00 0.95 0.00 0.00 72 G 8.70 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 0.00 0.00 0.00 0.00 73 F 7.94 4.94 0.00 3.04 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 74 V 8.47 4.99 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 0.92 0.00 0.00 0.95 0.00 0.00 75 V 9.27 5.02 2.24 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 1.12 0.00 0.00 1.10 0.00 0.00 76 I 8.94 4.97 1.85 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 1.08 0.92 0.92 0.00 0.00 77 N 9.63 5.33 0.00 2.84 2.88 0.00 0.00 6.90 9.28 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 78 A 8.75 4.50 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 79 G 8.36 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.71 4.11 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 81 Y 7.94 4.75 0.00 3.18 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 82 T 7.97 4.05 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 1.31 0.00 0.00 83 H 8.66 5.13 0.00 3.24 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.79 4.71 4.33 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 1.35 0.00 0.00 85 S 8.61 4.66 0.00 3.59 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 86 V 7.61 3.49 1.77 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 0.81 0.00 0.00 -0.16 0.00 0.00 87 G 7.75 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 88 I 7.92 3.63 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.80 0.00 0.00 89 R 7.47 3.85 0.00 2.11 2.12 0.00 3.18 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 90 D 8.16 4.34 0.00 3.03 2.67 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 91 A 7.85 3.99 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 92 L 7.96 3.95 0.00 1.78 1.79 0.10 0.27 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 93 L 8.20 4.18 0.00 1.63 1.76 0.97 1.28 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 94 G 7.73 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 95 T 7.94 4.07 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 1.22 0.00 0.00 96 A 8.00 3.75 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 97 I 7.18 4.18 1.87 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 1.23 0.59 0.88 0.00 0.00 98 P 0.00 4.29 0.00 1.00 1.52 0.00 3.55 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 2.10 2.06 0.00 99 F 7.39 5.57 0.00 3.04 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 0.00 100 I 8.50 4.89 2.03 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 1.16 1.03 0.91 0.00 0.00 101 E 8.84 4.90 0.00 2.27 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 2.18 2.26 0.00 102 V 8.82 4.81 1.74 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 0.10 0.00 0.00 0.73 0.00 0.00 103 H 8.77 4.90 0.00 3.04 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.73 3.83 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.67 0.99 0.00 0.00 105 T 7.72 4.67 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 1.25 0.00 0.00 106 N 8.38 4.50 0.00 2.78 2.76 0.00 0.00 6.89 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 0.00 107 V 8.18 3.53 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 0.40 0.00 0.00 0.65 0.00 0.00 108 H 7.83 4.04 0.00 3.07 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.94 4.23 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 110 R 7.58 4.84 0.00 1.65 1.71 0.00 3.12 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 111 E 8.29 3.93 0.00 1.16 1.60 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 2.47 2.34 0.00 112 P 0.00 3.61 0.00 2.09 1.95 0.00 3.54 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 2.06 2.04 0.00 113 F 8.06 4.22 0.00 3.22 3.27 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 0.00 114 R 7.01 3.82 0.00 1.51 1.70 0.00 2.90 0.00 0.00 3.07 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.71 0.00 115 H 8.10 4.36 0.00 3.06 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.07 4.56 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 117 S 8.03 4.80 0.00 3.81 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 0.00 118 Y 8.82 4.48 0.00 3.08 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 0.00 119 L 7.93 4.65 0.00 1.82 1.93 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.76 4.19 0.00 3.86 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 0.00 121 D 8.13 4.59 0.00 2.80 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 0.00 122 K 8.10 4.40 0.00 1.94 1.92 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.58 7.81 123 A 7.28 2.95 1.10 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 0.00 124 V 7.87 3.74 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 0.92 0.00 0.00 0.69 0.00 0.00 125 A 7.55 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.15 4.61 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 1.00 0.00 0.00 0.93 0.00 0.00 127 I 8.51 4.54 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.83 0.00 0.00 128 C 8.62 4.96 0.00 2.97 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 0.00 129 G 9.36 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 0.00 0.00 0.00 130 L 7.82 4.27 0.00 1.61 1.79 1.01 1.09 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 0.00 131 G 7.98 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 0.00 0.00 0.00 132 V 8.46 3.88 2.24 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 1.02 0.00 0.00 1.03 0.00 0.00 133 Y 8.33 4.43 0.00 3.05 3.24 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 0.00 134 G 8.43 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 0.00 135 Y 7.44 4.13 0.00 3.17 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 0.00 136 T 8.23 4.12 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 1.29 0.00 0.00 137 A 7.79 3.75 0.93 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 0.00 0.00 138 A 7.91 3.90 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 0.00 139 I 7.99 3.62 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.22 0.97 0.00 0.00 140 E 8.14 3.96 0.00 2.06 2.01 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 2.35 2.48 0.00 141 Y 7.86 3.96 0.00 2.99 3.07 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 0.00 142 A 8.07 2.73 0.96 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 0.00 0.00 143 L 7.35 4.05 0.00 1.80 1.71 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.78 4.88 0.00 2.67 2.56 0.00 0.00 6.71 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 0.00 145 Y 7.50 4.15 0.00 2.92 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 0.00 146 Q 7.82 3.38 0.00 1.47 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.42 0.00 0.00 0.00 0.00 0.00 2.05 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.