NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4046 8.3301 115.4115 58.2891 63.1606 172.2906 2 A 4.2778 7.8759 128.0371 50.7506 21.8287 170.4003 3 V 4.1738 8.0193 120.3153 61.3164 33.8726 175.1822 4 S 4.5061 8.3252 122.2949 57.7968 65.4572 174.8939 5 E 3.9798 8.6437 122.1226 59.5551 29.1779 179.5829 6 S 4.0357 8.0076 112.9059 61.4773 62.4462 175.8968 7 Q 4.0030 7.7693 120.8044 58.8536 28.8444 178.2144 8 L 3.9179 7.7211 119.9329 57.7545 41.5393 179.4375 9 K 3.9303 8.4501 117.4505 59.3020 32.2145 179.0225 10 K 4.0930 7.9185 119.5138 59.7323 31.9187 178.7888 11 M 4.1216 7.5755 117.6343 57.8256 32.0021 178.1417 12 V 3.8542 7.2945 110.7797 61.0712 32.2209 178.1073 13 S 4.0986 7.6647 117.8896 61.6477 62.7502 175.8128 14 K 4.4331 8.0424 115.9589 56.4907 32.3067 176.4231 15 Y 4.2431 8.0939 117.6080 57.5857 38.4265 175.9304 16 K 3.9085 8.5177 123.9213 58.6127 32.6134 176.8823 17 Y 4.8555 7.4629 116.1365 55.5085 38.3078 175.9204 18 R 3.9879 8.2402 122.8268 59.2918 30.7097 177.6749 19 D 4.4302 8.2342 118.0104 57.6325 40.9858 179.0387 20 L 4.0888 8.0248 118.8279 58.1325 41.7436 179.5580 21 T 4.2515 8.0274 115.5016 66.6362 68.3454 177.0340 22 V 3.5622 8.1644 120.5182 65.8713 31.5608 177.8793 23 R 3.8900 8.1976 118.5585 59.6824 29.8728 178.1455 24 E 4.0604 8.2291 118.5374 59.4337 29.5541 178.8431 25 T 3.8173 8.1002 115.9453 66.5954 68.6434 176.6656 26 V 3.5737 8.0410 120.3174 66.1115 31.3975 177.7161 27 N 4.3396 8.1834 116.1763 56.2941 38.4092 177.5998 28 V 3.7745 8.0983 119.9175 66.0750 31.5735 178.0633 29 I 4.2876 7.8150 110.6995 63.5112 37.5363 177.6783 30 T 4.1033 7.5598 117.0412 66.0294 68.5158 176.1785 31 L 4.1277 7.4978 121.5179 56.3640 43.4152 176.9728 32 Y 4.5477 8.0276 118.8928 55.4578 37.0139 176.1118 33 K 3.9404 8.3984 123.5808 59.0253 32.8617 177.6045 34 D 4.7639 8.1776 116.9904 54.0212 41.0189 174.8816 35 L 5.1701 7.7667 120.0685 52.8832 43.5357 175.9374 36 K 4.7206 8.9627 124.7214 53.7238 35.7074 173.1845 37 P 4.8800 0.0000 0.0000 62.6599 32.3616 175.6565 38 V 4.3878 8.7374 123.1897 60.9082 35.2809 173.5472 39 L 5.0509 8.5198 129.2348 53.7183 43.2156 174.6335 40 D 5.0635 9.0231 125.2845 52.5489 45.5349 174.1988 41 S 4.8530 8.8013 116.7791 58.4962 64.1926 173.3044 42 Y 4.1358 9.0646 124.1190 57.3992 39.5806 173.6926 43 G 4.0741 9.2757 117.4037 45.2858 0.0000 172.5698 44 T 4.4721 7.0551 114.0961 61.6249 72.4896 174.7810 *48 G 3.9050 8.6321 113.1291 45.4734 0.0000 174.0988 49 S 4.3220 7.9884 112.3725 59.6867 63.9511 174.6604 50 R 4.3916 7.7740 123.7826 55.2362 28.7237 173.4810 51 E 5.1223 8.3076 121.6583 55.0017 31.2439 175.2960 52 L 5.1563 9.1677 122.6407 53.4760 47.0605 174.8365 53 M 5.0796 9.6041 121.8248 54.6212 33.9861 174.6647 54 N 5.2429 8.9726 122.0675 51.0293 41.7864 172.9425 55 L 4.8903 8.4618 119.7271 53.5255 43.7810 175.7485 56 T 4.7997 10.0102 121.5441 60.5782 71.4179 174.8816 57 G 4.4518 7.1731 111.2787 46.2097 0.0000 171.1869 58 T 5.8713 8.2131 112.9633 58.7726 72.4360 173.8017 59 I 4.7840 8.0243 114.9512 58.2717 41.1848 172.5439 60 P 4.8573 0.0000 0.0000 62.8056 32.1561 175.5443 61 V 4.5669 9.1983 125.6617 60.0973 34.1611 172.6340 62 P 5.1108 0.0000 0.0000 62.7957 33.1772 175.0689 63 Y 4.7711 9.7655 124.5728 57.5561 41.6693 174.8093 64 R 3.4288 9.5478 127.2028 57.1371 27.7362 177.3093 65 G 4.0075 8.7973 105.0450 45.0623 0.0000 173.4093 66 N 5.0844 8.1009 116.2315 51.6090 42.9507 173.2653 67 T 4.9210 8.1430 117.3321 62.2629 70.4657 173.6292 68 Y 4.5979 9.1038 124.0983 56.4503 41.3563 175.0407 69 N 5.2150 8.7175 120.4625 51.9372 38.4287 173.2387 70 I 3.9614 8.4681 124.5187 60.1036 38.6658 173.3215 71 P 5.0444 0.0000 0.0000 62.6250 32.7233 175.4409 72 I 5.1972 8.9851 117.5585 59.3515 42.2197 173.7390 73 C 4.8857 9.0919 122.0709 58.0234 34.8446 172.5067 74 L 4.8770 8.7903 127.6814 52.8129 43.2993 175.7086 75 W 4.4967 9.1084 125.9256 55.9841 30.3264 175.7686 76 L 4.7802 8.4785 126.0709 53.1594 41.9330 177.1750 77 L 4.2003 8.5834 124.3741 54.2776 42.4778 177.6640 78 D 3.3700 8.2960 118.4940 54.5642 39.4616 177.3156 79 T 4.7615 7.5433 109.5505 61.5162 69.5384 173.5946 80 Y 4.4865 8.1539 124.4301 57.7123 39.2101 173.7561 81 P 2.9700 0.0000 0.0000 62.4454 31.5953 176.4606 82 Y 3.9941 7.7711 118.2247 60.0338 38.0333 175.5940 83 N 5.0630 7.7581 115.8709 50.1894 41.5976 172.5115 84 P 2.9700 0.0000 0.0000 61.0911 32.0808 174.2318 85 P 4.5213 0.0000 0.0000 62.9438 32.6116 175.3627 86 I 4.2616 8.4318 121.7766 60.1340 38.9543 174.5542 87 C 5.3299 8.3005 124.4706 58.0026 31.1654 173.0133 88 F 5.4216 9.1420 120.4680 55.7852 43.2179 173.9410 89 V 4.3813 8.6720 121.6307 62.0580 32.5323 176.4187 90 K 4.7290 8.6761 127.6707 53.2116 31.6485 173.6904 91 P 4.2412 0.0000 0.0000 62.8378 32.3471 177.4514 92 T 4.4208 8.1026 111.2750 60.0971 70.6814 175.4931 93 S 4.1922 8.5052 115.4422 60.8998 63.1040 175.0783 94 S 4.5169 7.8664 114.7352 58.6478 63.2402 172.7868 95 M 5.4220 7.8451 117.9385 54.1072 34.9715 174.3843 96 T 4.7681 8.7896 108.3413 59.6090 72.3482 173.5855 97 I 4.0794 8.5184 124.8610 61.6247 38.0849 175.9784 98 K 4.4493 8.6994 128.8638 54.7819 32.0459 175.5909 99 T 4.1908 8.4857 123.6783 63.5820 69.3931 174.9405 100 G 3.9852 8.8750 114.2899 45.6028 0.0000 173.8480 101 K 3.7014 9.2168 121.2160 59.8742 32.2092 178.2585 102 H 5.1013 8.1115 112.1971 54.5649 29.2919 174.2776 103 V 4.9211 7.6643 120.0677 61.3079 34.3345 174.9452 104 D 4.6976 8.9733 127.3012 51.8039 41.5547 176.6831 105 A 4.0649 8.6026 120.7938 55.0864 18.2913 178.0820 106 N 4.7326 8.8662 111.6314 53.0581 39.1230 176.0789 107 G 4.0753 8.5336 107.6823 45.0484 0.0000 173.3002 108 K 4.1252 8.1992 121.4784 56.1657 33.4638 175.6165 109 I 5.0064 8.2840 128.2682 60.6414 38.5040 174.7912 110 Y 4.7722 9.1839 123.8922 56.2570 41.0077 174.9932 111 L 4.9429 8.4685 122.5511 51.5503 46.3188 175.2727 112 P 4.3615 0.0000 0.0000 66.0104 30.9919 178.3876 113 Y 4.0567 8.1080 117.1919 60.6724 38.9622 177.7668 114 L 4.4908 8.0148 119.4846 57.9796 41.7736 178.5469 115 H 4.3448 8.4990 117.6229 58.2971 29.7883 175.6399 116 E 4.4993 7.8695 115.9491 55.2590 29.7030 175.3970 117 W 3.8621 7.4138 128.2604 58.3915 31.0597 175.5618 118 K 4.3664 8.0249 126.0972 55.3080 34.5086 174.6167 119 H 4.2333 8.5957 126.6960 55.4249 30.3246 172.9715 120 P 4.0621 0.0000 0.0000 62.6402 32.0384 176.4628 121 Q 3.8873 7.7168 120.5182 59.1037 29.1523 176.5907 122 S 3.8844 7.3586 113.7616 57.6188 63.5019 173.5562 123 D 4.8600 8.3072 123.5611 51.2433 43.7197 176.4723 124 L 4.3459 8.6831 118.6587 57.9489 41.4593 179.8313 125 L 4.2168 8.6313 119.2590 57.8311 41.5687 179.8494 126 G 3.4992 9.0227 106.1301 47.4915 0.0000 175.5695 127 L 3.3222 7.9419 122.6547 57.8934 42.1296 179.2333 128 I 3.5331 7.9298 119.9660 64.0856 37.0268 178.1626 129 Q 3.9085 7.9224 120.5646 59.0931 28.8883 178.5592 130 V 3.3996 7.4160 119.1386 66.1921 31.5564 177.7183 131 M 3.2392 7.8242 118.4623 58.3631 31.6114 178.8066 132 I 3.7688 7.7226 119.7780 64.2638 37.0243 178.7855 133 V 3.5510 7.5379 118.4988 66.0201 31.4669 178.3357 134 V 3.6142 7.9683 118.3422 66.0880 31.1585 177.9800 135 F 5.0700 7.7241 117.7366 59.5391 38.7903 177.6631 136 G 3.8678 7.7668 105.0375 46.7375 0.0000 174.8161 137 D 4.9971 7.5797 118.0368 55.2579 42.1492 176.0146 138 E 4.5736 8.3869 120.1503 53.3234 31.0861 172.7292 139 P 4.0217 0.0000 0.0000 62.1714 31.8744 175.1207 140 P 4.4423 0.0000 0.0000 64.0198 32.4549 175.7638 141 V 4.8698 6.7221 112.2079 60.1534 35.7629 173.8378 142 F 4.7377 8.7021 120.7227 55.4998 43.2712 174.8776 143 S 4.6738 8.7414 117.0636 58.6349 63.8526 174.6924 144 R 4.3131 8.8305 122.6794 54.6449 29.9118 175.2568 145 P 4.4095 0.0000 0.0000 62.9191 31.3139 176.4263 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 S 8.33 4.40 0.00 3.99 3.99 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 2 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 3 V 8.02 4.17 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 0.85 0.00 0.00 0.91 0.00 0.00 4 S 8.33 4.51 0.00 4.08 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 5 E 8.64 3.98 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 2.40 2.37 0.00 6 S 8.01 4.04 0.00 3.88 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 7 Q 7.77 4.00 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 8 L 7.72 3.92 0.00 1.93 1.64 0.90 0.42 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 9 K 8.45 3.93 0.00 1.67 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 10 K 7.92 4.09 0.00 1.92 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 11 M 7.58 4.12 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.56 0.00 12 V 7.29 3.85 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 0.13 0.00 0.00 0.87 0.00 0.00 13 S 7.66 4.10 0.00 3.90 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 14 K 8.04 4.43 0.00 1.87 1.89 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.45 7.81 15 Y 8.09 4.24 0.00 3.06 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 16 K 8.52 3.91 0.00 1.43 1.09 0.00 1.50 0.00 0.00 1.31 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.98 7.81 17 Y 7.46 4.86 0.00 3.40 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 18 R 8.24 3.99 0.00 1.92 2.01 0.00 3.18 0.00 0.00 3.54 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 19 D 8.23 4.43 0.00 2.76 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 20 L 8.02 4.09 0.00 1.85 1.78 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.03 4.25 4.48 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 1.21 0.00 0.00 22 V 8.16 3.56 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 1.08 0.00 0.00 0.96 0.00 0.00 23 R 8.20 3.89 0.00 2.03 2.17 0.00 3.19 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 1.68 1.68 0.00 24 E 8.23 4.06 0.00 2.37 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 0.00 2.64 2.53 0.00 25 T 8.10 3.82 4.36 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 1.16 0.00 0.00 26 V 8.04 3.57 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 1.03 0.00 0.00 1.00 0.00 0.00 27 N 8.18 4.34 0.00 3.02 2.89 0.00 0.00 6.69 7.83 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 28 V 8.10 3.77 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 1.05 0.00 0.00 1.08 0.00 0.00 29 I 7.81 4.29 1.87 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 1.86 0.71 1.00 0.00 0.00 30 T 7.56 4.10 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 1.18 0.00 0.00 31 L 7.50 4.13 0.00 1.37 1.38 0.65 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.03 4.55 0.00 3.12 2.86 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 33 K 8.40 3.94 0.00 1.75 1.90 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.41 7.81 34 D 8.18 4.76 0.00 2.86 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 35 L 7.77 5.17 0.00 1.70 1.56 0.83 0.75 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 36 K 8.96 4.72 0.00 1.73 1.66 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.31 7.81 37 P 0.00 4.88 0.00 2.05 1.97 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 38 V 8.74 4.39 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 0.94 0.00 0.00 0.84 0.00 0.00 39 L 8.52 5.05 0.00 1.66 1.56 1.10 1.15 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 40 D 9.02 5.06 0.00 2.87 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 41 S 8.80 4.85 0.00 4.16 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 42 Y 9.06 4.14 0.00 2.23 2.63 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 43 G 9.28 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 44 T 7.06 4.47 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 1.19 0.00 0.00 *48 G 8.63 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 49 S 7.99 4.32 0.00 4.00 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 50 R 7.77 4.39 0.00 1.96 2.10 0.00 3.13 0.00 0.00 3.16 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 51 E 8.31 5.12 0.00 1.98 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 2.36 2.39 0.00 52 L 9.17 5.16 0.00 1.93 1.80 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 M 9.60 5.08 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 54 N 8.97 5.24 0.00 2.01 1.60 0.00 0.00 6.68 6.25 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 55 L 8.46 4.89 0.00 1.47 1.53 0.84 0.96 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 56 T 10.01 4.80 4.11 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 1.13 0.00 0.00 57 G 7.17 4.45 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 0.00 58 T 8.21 5.87 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 1.23 0.00 0.00 59 I 8.02 4.78 1.74 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 1.50 0.75 0.62 0.00 0.00 60 P 0.00 4.86 0.00 2.16 2.17 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 61 V 9.20 4.57 2.19 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 1.19 0.00 0.00 1.06 0.00 0.00 62 P 0.00 5.11 0.00 2.23 2.22 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 63 Y 9.77 4.77 0.00 3.01 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 64 R 9.55 3.43 0.00 1.56 1.80 0.00 3.09 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 65 G 8.80 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 66 N 8.10 5.08 0.00 2.68 2.29 0.00 0.00 6.78 7.05 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 67 T 8.14 4.92 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 1.21 0.00 0.00 68 Y 9.10 4.60 0.00 2.93 2.84 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 69 N 8.72 5.21 0.00 2.63 2.80 0.00 0.00 7.00 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 70 I 8.47 3.96 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.64 0.00 0.00 71 P 0.00 5.04 0.00 2.28 2.17 0.00 3.54 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 2.01 1.92 0.00 72 I 8.99 5.20 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.94 0.00 0.00 73 C 9.09 4.89 0.00 2.92 2.85 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 74 L 8.79 4.88 0.00 1.48 1.50 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 75 W 9.11 4.50 0.00 3.20 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 76 L 8.48 4.78 0.00 1.70 1.63 0.59 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.58 4.20 0.00 1.73 1.56 0.90 1.00 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 78 D 8.30 3.37 0.00 2.46 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 0.00 0.00 0.00 79 T 7.54 4.76 4.44 0.00 0.00 0.00 0.00 0.00 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 80 Y 8.15 4.49 0.00 3.15 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 81 P 0.00 2.97 0.00 1.69 1.26 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.50 0.00 82 Y 7.77 3.99 0.00 3.07 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 83 N 7.76 5.06 0.00 2.67 2.62 0.00 0.00 6.94 8.02 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 84 P 0.00 2.97 0.00 1.74 1.39 0.00 3.61 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.99 0.00 85 P 0.00 4.52 0.00 2.00 1.92 0.00 2.67 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 86 I 8.43 4.26 1.94 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 1.17 0.67 0.85 0.00 0.00 87 C 8.30 5.33 0.00 2.77 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 88 F 9.14 5.42 0.00 3.04 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 89 V 8.67 4.38 2.09 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 0.66 0.00 0.00 0.83 0.00 0.00 90 K 8.68 4.73 0.00 1.59 1.71 0.00 1.85 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.49 7.81 91 P 0.00 4.24 0.00 2.17 2.04 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 92 T 8.10 4.42 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 93 S 8.51 4.19 0.00 4.00 4.05 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 94 S 7.87 4.52 0.00 4.04 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 0.00 95 M 7.85 5.42 0.00 2.00 2.06 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 2.59 2.45 0.00 96 T 8.79 4.77 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 1.23 0.00 0.00 97 I 8.52 4.08 1.90 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 1.23 0.55 0.94 0.00 0.00 98 K 8.70 4.45 0.00 1.93 1.81 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.65 1.54 7.81 99 T 8.49 4.19 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 1.28 0.00 0.00 100 G 8.88 3.99 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 0.00 0.00 0.00 101 K 9.22 3.70 0.00 1.67 1.77 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.97 1.34 7.81 102 H 8.11 5.10 0.00 3.42 3.53 0.00 5.89 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.66 4.92 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 1.12 0.00 0.00 1.02 0.00 0.00 104 D 8.97 4.70 0.00 2.99 2.84 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 0.00 105 A 8.60 4.06 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 0.00 106 N 8.87 4.73 0.00 3.01 3.04 0.00 0.00 7.12 8.38 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 0.00 107 G 8.53 4.08 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 0.00 108 K 8.20 4.13 0.00 1.80 2.07 0.00 1.41 0.00 0.00 1.39 0.00 0.00 2.66 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.93 0.86 7.81 109 I 8.28 5.01 1.87 0.00 0.00 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 1.46 0.77 1.06 0.00 0.00 110 Y 9.18 4.77 0.00 2.89 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 0.00 111 L 8.47 4.94 0.00 1.75 1.56 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.36 0.00 2.24 2.18 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 113 Y 8.11 4.06 0.00 2.94 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 0.00 114 L 8.01 4.49 0.00 1.98 1.74 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.50 4.34 0.00 3.17 3.57 0.00 5.91 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.87 4.50 0.00 2.06 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 2.48 2.08 0.00 117 W 7.41 3.86 0.00 3.59 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 0.00 118 K 8.02 4.37 0.00 1.84 1.39 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.32 7.81 119 H 8.60 4.23 0.00 2.90 2.65 0.00 5.96 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.06 0.00 1.94 1.54 0.00 3.63 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 121 Q 7.72 3.89 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.93 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 122 S 7.36 3.88 0.00 2.72 2.63 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 0.00 123 D 8.31 4.86 0.00 3.24 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 0.00 124 L 8.68 4.35 0.00 2.16 1.86 0.72 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.63 4.22 0.00 1.76 1.79 0.96 0.85 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 0.00 126 G 9.02 3.50 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 0.00 0.00 0.00 127 L 7.94 3.32 0.00 2.31 2.02 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.93 3.53 1.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.45 0.11 0.00 0.00 129 Q 7.92 3.91 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 130 V 7.42 3.40 1.85 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 0.72 0.00 0.00 0.64 0.00 0.00 131 M 7.82 3.24 0.00 1.77 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.15 0.00 132 I 7.72 3.77 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.29 0.95 0.00 0.00 133 V 7.54 3.55 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 0.98 0.00 0.00 0.96 0.00 0.00 134 V 7.97 3.61 1.64 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 0.73 0.00 0.00 0.79 0.00 0.00 135 F 7.72 5.07 0.00 3.05 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 0.00 136 G 7.77 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 0.00 137 D 7.58 5.00 0.00 2.81 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 0.00 138 E 8.39 4.57 0.00 2.15 1.92 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 2.32 2.35 0.00 139 P 0.00 4.02 0.00 0.49 1.01 0.00 3.37 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.12 0.00 140 P 0.00 4.44 0.00 1.66 1.48 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 141 V 6.72 4.87 1.93 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 0.56 0.00 0.00 0.66 0.00 0.00 142 F 8.70 4.74 0.00 2.90 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 0.00 143 S 8.74 4.67 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 0.00 144 R 8.83 4.31 0.00 1.68 1.92 0.00 3.27 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 145 P 0.00 4.41 0.00 2.17 2.04 0.00 3.80 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 1.98 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.