NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0654 8.2548 109.1187 45.7050 0.0000 175.3595 17 I 3.7614 7.2147 119.7764 63.2744 37.3573 175.3705 18 T 4.0855 7.7910 116.9493 62.7913 69.9927 174.7262 19 G 3.5955 7.5317 112.4959 45.1287 0.0000 170.5614 20 T 4.8129 7.6817 116.6952 61.6070 70.6619 174.0427 21 W 5.1246 9.2691 125.8163 55.0414 33.4848 174.0589 22 Y 5.5606 9.5642 119.5444 56.5466 41.6222 175.3826 23 N 5.3492 9.3484 121.5061 50.5883 39.7804 175.8006 24 Q 4.0688 8.5980 115.7887 58.2815 28.8846 176.6845 25 L 4.3843 8.1422 116.9673 54.5437 42.0804 176.9935 26 G 4.0570 8.4620 107.4391 45.2888 0.0000 174.0589 27 S 4.7109 9.6564 117.0549 58.4486 64.7268 173.3278 28 T 5.0289 8.6486 119.0936 62.0308 71.0071 173.3797 29 F 4.7851 9.3713 126.2910 55.7617 41.9115 174.7072 30 I 4.6897 8.5679 126.5447 59.7399 38.6855 175.1447 31 V 4.7102 8.8131 127.7782 61.1393 34.7614 174.1917 32 T 4.7765 8.9272 124.0980 61.6634 71.2209 172.9138 33 A 4.9146 8.4078 129.2108 50.3322 19.4859 177.1919 34 G 3.8922 8.9428 111.6262 45.0317 0.0000 174.1924 35 A 4.2035 8.5272 122.4439 54.2396 18.5716 178.1981 36 D 4.7670 8.1298 115.0244 54.2361 41.5982 177.3284 37 G 3.1976 7.8283 105.1575 44.9570 0.0000 173.6767 38 A 4.7624 7.7776 121.5413 51.4126 20.2660 176.6991 39 L 5.3174 9.2478 121.8325 53.1678 44.4024 175.9036 40 T 4.8975 9.5750 113.8212 59.5960 72.6230 174.5014 41 G 3.7593 7.2852 108.3842 46.5541 0.0000 171.4337 42 T 5.1188 7.6616 109.2460 60.1100 72.9207 172.9406 43 A 4.5749 8.8003 124.9787 50.0468 22.0555 175.2581 44 E 5.0295 9.0417 119.4726 55.3353 33.6329 175.0165 45 S 4.0359 9.0971 117.6497 59.9395 61.9803 176.1871 *48 G 3.8055 8.0843 112.4361 44.8283 0.0000 172.1589 49 N 4.7697 8.0741 115.4697 51.3668 41.2415 176.3725 50 A 3.4937 8.7963 124.6563 55.4724 18.4947 179.4591 51 E 3.4814 7.8044 114.0287 58.4379 29.8396 177.7914 52 S 4.7122 8.7588 113.5146 57.7102 63.3196 172.6565 53 R 4.9874 7.3930 121.1319 55.6413 30.9846 175.1600 54 Y 4.8804 8.7009 122.6282 56.0957 42.7014 174.6590 55 V 4.3330 8.5071 121.9543 62.5227 32.6009 175.0645 56 L 5.1165 8.5620 127.0316 54.3689 43.5012 175.1522 57 T 4.8293 8.6638 114.7238 61.2150 71.3537 173.2156 58 G 4.1591 8.6664 112.8005 46.5285 0.0000 172.1147 59 R 5.5986 8.5813 118.6816 55.0926 35.0593 173.9253 60 Y 5.3255 8.4442 118.3225 55.4208 41.8577 174.4511 61 D 4.3677 9.2264 120.7831 53.8608 40.7817 176.9150 62 S 4.3525 8.2109 120.9224 59.3819 63.8651 174.7108 63 A 4.6329 8.4702 124.2297 50.0751 18.8245 173.2060 64 P 4.8835 0.0000 0.0000 60.7293 32.8010 176.7984 65 A 4.3003 8.2922 121.7862 52.5056 18.4796 177.2967 66 T 4.5685 8.2252 107.0145 61.5396 69.2555 175.1718 67 D 4.5663 8.0088 119.5946 54.3722 39.3227 177.0737 68 G 3.9859 7.7839 108.3830 45.4875 0.0000 174.4843 69 S 4.2623 8.5168 115.7290 58.5818 63.3860 174.2713 70 G 4.0688 8.2324 109.4193 45.8921 0.0000 172.3615 71 T 4.8374 8.7817 116.8394 61.5376 70.5385 174.5793 72 A 4.8509 8.6958 129.1083 52.1585 20.1520 175.8426 73 L 4.9747 8.9052 120.1827 55.5883 44.7682 173.9272 74 G 4.6154 9.1975 104.9415 45.3174 0.0000 172.2158 75 W 5.9387 8.7652 117.8240 55.4736 32.5099 173.4790 76 T 5.3740 9.4912 116.6186 61.8662 72.0985 173.4372 77 V 4.7444 9.1456 124.4137 61.0219 34.5040 173.9812 78 A 4.4167 8.4051 129.6776 49.8805 20.0840 177.9487 79 W 4.1762 8.3584 125.6177 55.4971 28.2407 176.4508 80 K 5.2941 7.8268 118.2014 54.7082 35.0944 174.5205 81 N 5.0306 9.1775 123.8406 51.8835 39.6599 174.2300 82 N 4.2527 8.6511 113.5694 55.7914 38.9089 175.3163 83 Y 4.5687 7.5361 115.1223 58.4723 39.6983 175.9069 84 R 4.7327 9.0526 114.6895 54.6118 32.6887 173.9096 85 N 5.1894 8.5298 116.7867 52.6686 40.5666 173.5570 86 A 4.4050 9.3151 128.7313 51.5674 19.5763 176.2736 87 H 4.2280 8.6506 113.7885 56.5158 26.9177 174.0096 88 S 5.2666 7.6087 110.7364 57.5372 66.8535 173.5612 89 A 5.0359 9.1711 121.5162 50.8328 22.9268 175.1874 90 T 5.0548 8.8534 117.3570 61.7755 72.0822 173.3037 91 T 5.1714 8.5840 115.3749 59.6779 71.9730 172.7018 92 W 5.0731 9.0424 124.6723 54.8274 31.9979 174.5495 93 S 4.8283 8.7183 119.2817 56.6505 64.8034 172.9892 94 G 4.1833 8.3863 113.1294 46.8764 0.0000 171.4747 95 Q 5.2380 8.1099 118.0598 55.0243 32.3700 173.5852 96 Y 4.8102 9.2295 124.1969 57.2576 40.5727 174.0303 97 V 4.0134 8.7493 126.6354 61.0583 34.3041 174.8165 98 G 4.1744 8.4990 116.2737 44.7463 0.0000 173.6426 99 G 4.3857 7.8795 118.7873 44.3481 0.0000 170.3328 100 A 3.9979 8.7137 122.2478 54.9170 18.6177 177.3554 101 E 4.3952 7.8802 112.6170 54.5501 30.7937 175.9651 102 A 4.5085 8.5791 126.4948 52.0899 19.2607 176.3797 103 R 5.2660 9.0018 117.0712 54.8847 34.1003 173.9002 104 I 4.8051 8.3944 120.0395 59.7330 40.1105 174.3268 105 N 5.3778 8.9639 125.5694 52.0250 40.4190 174.5168 106 T 5.1861 9.2386 113.3916 60.1352 73.2520 172.5137 107 Q 5.2343 9.1209 120.8196 53.8324 32.2038 174.9692 108 W 5.4075 8.5714 119.0512 54.6311 32.4040 173.8572 109 L 5.3915 8.7974 119.7561 52.9119 44.9965 175.3002 110 L 5.1462 9.2224 125.7332 53.6134 44.7293 174.9334 111 T 5.1117 8.9699 123.1227 61.9397 71.3952 173.3142 112 S 5.1359 8.6188 122.1638 56.3931 65.1942 174.4611 113 G 3.8808 8.9728 112.4165 46.6174 0.0000 173.0648 114 T 4.7949 8.3414 113.8545 59.3851 72.3937 173.4696 115 T 4.2321 8.0324 112.2164 61.2166 69.5053 175.3382 116 E 4.0851 8.6187 120.5024 58.6571 29.7130 179.1771 117 A 4.1716 7.9923 120.7478 54.1220 19.0620 177.6455 118 N 4.6387 7.9956 111.4195 52.9142 39.2678 176.7867 119 A 4.1960 7.8878 123.4545 54.1414 18.5890 180.4097 120 W 4.3734 8.2500 112.2228 58.4827 28.3299 176.7106 121 K 4.1940 6.6995 118.4273 56.2660 32.3684 177.3164 122 S 4.2943 7.7584 115.4783 60.5181 63.7527 173.3160 123 T 5.1596 7.5373 117.1912 61.7827 71.0794 173.6256 124 L 4.7191 8.9862 127.1096 53.7454 43.8863 176.1653 125 V 4.3385 7.7511 119.8522 60.3321 34.7168 174.9479 126 G 3.2598 6.5149 108.1121 45.7695 0.0000 171.2890 127 H 5.4073 8.1412 113.7137 54.1161 31.8872 172.6639 128 D 4.9529 9.2567 118.6575 53.2032 45.6303 174.2927 129 T 5.0716 8.4512 118.4374 61.8951 71.5725 173.1309 130 F 5.4250 9.5269 125.2549 56.0720 42.0719 174.7629 131 T 5.5943 9.3257 111.5340 60.2731 72.3288 174.7905 132 K 4.2038 8.8594 119.7257 56.7778 32.6958 177.5529 133 V 3.9234 7.7569 123.3620 62.8142 31.4914 175.0737 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 16 G 8.25 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 17 I 7.21 3.76 1.38 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.36 0.57 0.00 0.00 18 T 7.79 4.09 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 1.15 0.00 0.00 19 G 7.53 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 20 T 7.68 4.81 4.04 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 0.82 0.00 0.00 21 W 9.27 5.12 0.00 3.15 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 22 Y 9.56 5.56 0.00 3.03 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 23 N 9.35 5.35 0.00 2.39 2.50 0.00 0.00 6.62 6.96 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 24 Q 8.60 4.07 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 25 L 8.14 4.38 0.00 1.68 1.78 0.96 0.99 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 26 G 8.46 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 27 S 9.66 4.71 0.00 4.23 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 28 T 8.65 5.03 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 1.09 0.00 0.00 29 F 9.37 4.79 0.00 2.87 2.60 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 30 I 8.57 4.69 1.77 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 1.01 0.76 0.83 0.00 0.00 31 V 8.81 4.71 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 0.76 0.00 0.00 0.39 0.00 0.00 32 T 8.93 4.78 4.18 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 1.17 0.00 0.00 33 A 8.41 4.91 0.75 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 34 G 8.94 3.89 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 0.00 35 A 8.53 4.20 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 36 D 8.13 4.77 0.00 2.64 2.64 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 37 G 7.83 3.20 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 38 A 7.78 4.76 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 39 L 9.25 5.32 0.00 1.75 1.58 0.74 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.58 4.90 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 1.20 0.00 0.00 41 G 7.29 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.66 5.12 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 1.15 0.00 0.00 43 A 8.80 4.57 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.04 5.03 0.00 1.95 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 2.22 2.11 0.00 45 S 9.10 4.04 0.00 3.80 3.76 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 0.00 0.00 0.00 *48 G 8.08 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 49 N 8.07 4.77 0.00 2.70 2.80 0.00 0.00 6.89 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 50 A 8.80 3.49 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.80 3.48 0.00 1.68 1.81 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 1.93 1.47 0.00 52 S 8.76 4.71 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 53 R 7.39 4.99 0.00 1.79 1.90 0.00 3.16 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 54 Y 8.70 4.88 0.00 2.86 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 55 V 8.51 4.33 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 0.77 0.00 0.00 0.91 0.00 0.00 56 L 8.56 5.12 0.00 1.93 1.60 0.47 -0.33 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 57 T 8.66 4.83 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 58 G 8.67 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 0.00 0.00 0.00 59 R 8.58 5.60 0.00 1.77 1.78 0.00 3.29 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 60 Y 8.44 5.33 0.00 3.06 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 61 D 9.23 4.37 0.00 2.71 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 0.00 62 S 8.21 4.35 0.00 3.91 3.47 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 0.00 63 A 8.47 4.63 1.20 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 64 P 0.00 4.88 0.00 2.26 2.19 0.00 3.44 0.00 0.00 2.65 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 65 A 8.29 4.30 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 66 T 8.23 4.57 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 1.24 0.00 0.00 67 D 8.01 4.57 0.00 2.80 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 68 G 7.78 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 69 S 8.52 4.26 0.00 3.86 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 70 G 8.23 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 71 T 8.78 4.84 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 72 A 8.70 4.85 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 73 L 8.91 4.97 0.00 2.00 1.92 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.20 4.62 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 0.00 75 W 8.77 5.94 0.00 3.49 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 76 T 9.49 5.37 4.34 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 1.31 0.00 0.00 77 V 9.15 4.74 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.96 0.00 0.00 78 A 8.41 4.42 1.19 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 0.00 0.00 0.00 79 W 8.36 4.18 0.00 3.32 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 80 K 7.83 5.29 0.00 1.87 1.73 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 81 N 9.18 5.03 0.00 2.74 2.58 0.00 0.00 6.61 6.54 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 82 N 8.65 4.25 0.00 2.02 2.42 0.00 0.00 6.66 7.46 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 83 Y 7.54 4.57 0.00 3.06 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 84 R 9.05 4.73 0.00 2.05 2.07 0.00 2.95 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 85 N 8.53 5.19 0.00 2.66 2.63 0.00 0.00 6.92 7.96 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 86 A 9.32 4.40 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 87 H 8.65 4.23 0.00 3.37 3.35 0.00 5.63 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 88 S 7.61 5.27 0.00 4.03 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 89 A 9.17 5.04 1.20 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 90 T 8.85 5.05 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 -0.36 0.00 0.00 91 T 8.58 5.17 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 1.22 0.00 0.00 92 W 9.04 5.07 0.00 1.88 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 0.00 0.00 0.00 0.00 93 S 8.72 4.83 0.00 3.82 3.63 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 94 G 8.39 4.18 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 0.00 0.00 0.00 95 Q 8.11 5.24 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 96 Y 9.23 4.81 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 97 V 8.75 4.01 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 0.82 0.00 0.00 0.87 0.00 0.00 98 G 8.50 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 0.00 0.00 0.00 0.00 99 G 7.88 4.39 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 0.00 100 A 8.71 4.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.88 4.40 0.00 2.13 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 2.28 2.39 0.00 102 A 8.58 4.51 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 0.00 103 R 9.00 5.27 0.00 2.18 2.14 0.00 2.84 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 104 I 8.39 4.81 1.54 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.27 0.81 0.00 0.00 105 N 8.96 5.38 0.00 2.68 2.77 0.00 0.00 6.05 6.35 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 0.00 106 T 9.24 5.19 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 1.16 0.00 0.00 107 Q 9.12 5.23 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 108 W 8.57 5.41 0.00 2.68 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 0.00 0.00 0.00 0.00 109 L 8.80 5.39 0.00 1.58 1.57 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.22 5.15 0.00 1.76 1.73 1.05 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.97 5.11 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 1.22 0.00 0.00 112 S 8.62 5.14 0.00 3.72 3.76 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 0.00 0.00 0.00 113 G 8.97 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 0.00 114 T 8.34 4.79 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 1.16 0.00 0.00 115 T 8.03 4.23 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 1.21 0.00 0.00 116 E 8.62 4.09 0.00 2.07 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 2.42 2.32 0.00 117 A 7.99 4.17 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 0.00 118 N 8.00 4.64 0.00 2.71 2.63 0.00 0.00 6.72 6.98 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 0.00 119 A 7.89 4.20 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 0.00 120 W 8.25 4.37 0.00 3.57 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 0.00 121 K 6.70 4.19 0.00 1.29 0.74 0.00 1.19 0.00 0.00 1.08 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.73 7.81 122 S 7.76 4.29 0.00 4.17 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 0.00 123 T 7.54 5.16 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 0.00 124 L 8.99 4.72 0.00 1.86 1.73 1.02 0.93 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 0.00 125 V 7.75 4.34 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 0.54 0.00 0.00 0.71 0.00 0.00 126 G 6.51 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 0.00 0.00 0.00 127 H 8.14 5.41 0.00 3.17 3.15 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.26 4.95 0.00 3.05 2.39 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 0.00 129 T 8.45 5.07 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 1.34 0.00 0.00 130 F 9.53 5.42 0.00 2.70 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 0.00 131 T 9.33 5.59 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 1.38 0.00 0.00 132 K 8.86 4.20 0.00 1.59 1.64 0.00 1.39 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.58 7.81 133 V 7.76 3.92 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 0.73 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.