NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8591 8.3129 109.7620 45.8279 0.0000 174.7004 *26 T 4.3329 8.3623 109.8359 60.9324 70.4867 171.5010 27 N 4.5690 8.2973 118.5078 55.6737 38.6547 175.7164 28 N 4.5493 8.1945 112.7482 52.4111 38.1925 175.6179 29 G 3.8279 8.0817 107.0261 46.1195 0.0000 173.1304 30 K 4.2513 8.1442 119.2448 54.2605 33.2364 175.6795 31 Q 4.4772 8.1123 125.0223 54.3988 30.5806 174.3051 32 F 5.3327 8.4325 121.8229 55.9345 43.1834 174.0957 33 I 4.9791 9.0996 121.0605 59.9030 41.4541 174.0546 34 H 5.7078 8.7743 119.0347 53.9365 32.1188 172.4534 35 N 5.0347 9.3228 116.9874 52.2040 41.7470 172.6804 36 D 5.2869 8.9807 126.2660 53.8617 42.5993 176.0304 37 T 4.5238 8.8137 119.0813 61.5302 72.8228 172.8086 *39 E 4.1097 8.4984 121.6887 57.1421 30.0899 175.5635 40 G 3.9517 9.7835 115.4688 46.6863 0.0000 174.0359 41 G 3.8877 8.5536 105.5789 44.8873 0.0000 174.1315 42 K 4.3936 7.4066 118.0034 53.7463 34.8915 175.7198 43 L 4.1282 8.2817 123.7699 55.3062 42.2002 176.7201 44 V 4.5979 8.8085 119.6992 62.2006 34.1764 175.4692 45 C 5.3577 7.9670 119.7994 57.9808 35.1935 172.5519 46 R 5.0694 9.3720 126.0817 54.6367 32.4479 173.6493 47 E 4.5572 9.2363 127.7322 54.4435 32.1546 174.2875 48 I 4.8708 8.6051 127.7233 59.9986 39.5457 174.3828 49 Y 5.4608 9.4823 123.3104 55.3356 42.3848 175.1354 50 A 4.6274 8.9203 124.9208 51.8778 21.7472 178.5672 *52 N 4.6393 9.0843 115.7352 54.8721 40.5632 173.5217 53 D 4.6366 7.5855 117.0398 52.8807 43.0571 175.0458 54 A 4.4701 8.4890 126.6445 52.6304 20.2397 178.6825 55 A 4.1305 7.6547 117.9309 53.8354 18.8014 178.2452 56 S 4.3920 7.4861 108.6690 58.7950 64.7251 175.7767 57 G 3.8577 8.1028 106.4448 45.3422 0.0000 173.1683 58 I 3.8254 7.2943 120.5038 60.7064 37.5324 175.5943 59 L 4.4242 8.2429 125.6067 54.3362 42.3820 176.1336 60 N 4.7663 9.4608 123.0239 51.5799 40.0296 173.1981 61 P 4.3374 0.0000 0.0000 63.1760 31.8382 175.5508 62 V 4.3226 8.9804 121.0497 64.3829 34.4857 174.3954 63 K 5.4567 7.3633 118.5845 55.2131 35.8483 173.3111 *65 Y 4.9273 8.3597 115.2846 58.0791 39.6048 174.3533 66 K 5.0237 8.8195 123.3226 54.7718 35.1003 174.5626 67 Y 4.9053 8.8573 122.9907 56.1228 40.2445 175.1292 68 S 4.5939 9.0298 119.3547 56.8255 64.6960 172.3355 69 Y 4.8247 8.5833 124.7366 57.0515 40.1452 175.9241 70 D 4.5498 8.7809 121.5479 53.3643 42.9935 175.7473 71 T 3.8957 8.6813 122.0245 66.4701 68.9623 176.6880 72 D 4.3637 8.2133 119.6613 56.9253 40.8928 177.1140 73 Q 4.3169 8.2266 114.0003 55.1549 29.3906 175.1973 74 Q 3.3962 7.8101 117.0862 57.1139 27.2004 173.1442 75 K 4.9907 8.1208 117.2212 55.0020 36.2446 175.0550 76 T 4.9495 9.1180 123.9366 61.6674 71.8159 173.0406 77 V 4.6234 8.8784 126.4225 60.9507 34.1302 173.9386 78 K 4.6228 9.0072 130.2977 54.8115 34.0766 174.7079 79 S 4.9767 8.7155 124.3050 57.0830 65.3380 173.2497 80 T 4.9296 8.4837 121.1753 61.9800 71.0880 173.0534 81 Y 5.1639 8.4031 121.8016 56.0968 42.1786 174.1274 82 A 5.3459 9.1662 124.5714 49.7628 22.3447 175.4816 83 W 4.1571 9.0681 132.2194 57.1993 31.4980 175.2760 84 N 4.6262 8.3349 128.0055 52.2265 38.4893 175.7818 85 I 3.6589 8.1341 120.8836 63.2271 38.2453 177.5892 86 F 4.3731 7.9698 119.3789 60.0572 39.0507 176.7989 87 K 4.0793 8.3681 117.6212 56.3259 32.6365 176.3297 88 N 3.6752 7.7590 115.6615 53.8661 36.4209 172.9946 89 T 4.0490 5.7900 105.7492 59.6115 73.2159 173.6688 90 W 5.0310 8.2997 121.5010 56.2096 30.4319 175.7111 91 E 4.7982 9.2860 123.2933 54.3092 32.8321 174.9644 92 T 3.7518 8.5196 122.8780 64.3918 68.4888 172.4521 93 E 4.7130 9.0422 126.8144 57.4167 32.0976 175.4076 94 S 5.3099 7.5617 111.2439 57.7670 66.8077 172.7044 95 R 4.7751 8.6341 119.5259 54.8867 33.5940 173.5641 96 T 5.1034 9.0327 122.5393 61.7639 71.9122 172.8751 97 V 4.6897 8.8817 127.0672 61.2116 33.9845 174.1680 98 I 4.8728 8.9979 129.5940 59.7940 39.4151 174.7523 99 S 5.0605 9.2468 123.8684 56.6238 65.7208 173.2956 100 R 4.8807 8.3082 123.5319 53.9322 32.0821 176.2979 101 Y 4.7939 8.5233 121.7758 57.1150 39.7169 176.5266 102 E 3.8680 8.6326 121.3032 57.5512 29.4518 174.2702 103 T 4.1347 8.6557 112.5874 62.9956 70.7002 174.2382 104 E 5.2461 8.1720 124.2924 54.6592 32.5101 174.5993 105 T 5.1943 9.1077 122.7853 61.8415 72.2232 172.6570 106 S 5.1973 9.4157 121.4275 56.4145 65.4660 172.6524 107 V 4.9766 9.1759 126.9952 61.2496 34.2335 173.7159 108 E 5.0923 9.3090 127.9073 54.7158 32.3953 174.2077 109 Y 5.1874 9.3757 126.4664 56.0776 40.9274 174.4633 110 S 5.1191 8.7938 122.6643 56.6345 67.0051 173.0116 111 V 4.3487 8.5232 123.4008 60.6186 33.6708 174.6997 112 W 4.1241 9.1415 135.0000 57.5705 31.3842 175.1539 113 N 4.3886 8.2449 129.8481 52.2857 38.2855 175.8152 114 K 3.8882 8.5741 127.6841 57.4997 31.7706 176.2539 115 E 4.4962 7.7856 115.3147 55.8538 29.8573 176.9115 116 K 4.3145 7.4907 118.9418 56.1738 36.2798 175.9509 117 G 3.6712 7.8509 106.2266 45.7955 0.0000 172.9457 118 S 4.3387 6.2223 111.8807 56.3980 67.0458 172.3002 119 F 5.0459 8.6243 119.2467 56.7257 39.9370 175.2030 120 D 4.7273 9.1453 124.8363 52.7967 42.2957 176.1334 121 L 4.3949 8.5310 123.8849 55.1223 41.3891 175.5583 122 S 4.7105 9.8116 117.1848 59.3843 64.9591 173.6327 123 K 5.1137 8.3843 117.6252 54.4595 36.4255 174.8374 124 K 4.6103 8.3504 123.3409 54.7061 35.7228 174.5010 125 Y 5.1996 8.9432 124.1143 56.1864 41.8967 174.4401 126 I 4.9800 8.6756 123.7699 59.6592 40.9225 173.9845 127 Y 5.1134 9.1830 124.4952 56.3168 41.0742 174.4978 128 I 5.0142 8.9715 126.0984 59.7968 39.6356 175.3133 129 T 4.9440 9.0372 117.4972 59.9141 72.0773 173.1163 130 D 4.7448 8.4124 121.2742 52.0640 41.5110 176.6449 131 N 4.5294 8.6889 115.1359 55.6805 38.5401 175.5714 132 N 4.6799 8.5492 114.8134 52.5651 38.8613 174.6580 133 N 4.3049 8.0395 114.9709 54.2232 38.1254 173.3219 134 Q 4.2742 8.0789 117.7955 54.3220 29.9249 174.7876 135 L 4.3066 8.5182 127.5407 55.6393 43.0439 175.8770 136 I 4.0247 9.0473 127.1445 62.8745 38.4044 175.4697 137 A 5.1496 7.6137 122.0078 50.3788 22.9503 174.4507 138 Q 4.9293 8.5813 117.3841 54.5933 32.2737 173.9015 139 Y 5.2415 8.8779 118.2101 56.2297 42.4255 174.2574 140 A 5.0695 8.7264 123.7388 50.4884 22.8709 174.6593 141 Y 5.1364 8.7354 117.8643 55.3250 42.7884 174.9065 142 K 5.0879 9.0027 123.3835 55.4176 36.0178 177.6475 *144 N 4.7256 8.8178 119.4951 52.7813 38.7378 174.7526 145 S 4.0765 8.6886 123.8318 61.5937 63.5778 176.6984 146 R 4.0707 8.1887 119.2535 58.5325 29.3224 181.6018 147 T 4.3056 7.7364 105.7267 60.4735 69.7473 174.1222 148 N 4.0455 8.1322 119.5350 54.7090 37.8395 173.1794 149 Q 4.6037 7.6455 112.8370 52.9657 32.3018 175.5184 150 W 4.6822 8.7030 122.4190 56.9606 30.2421 175.4858 151 I 4.6018 9.1799 125.4634 59.3914 38.9339 174.8166 152 L 4.0901 8.7736 129.6129 55.2926 41.9711 175.9450 153 E 4.6116 8.9796 125.5945 57.0865 32.1021 176.4814 154 K 4.6714 7.5228 119.2694 54.9703 36.0758 174.9462 155 D 4.7052 8.4296 126.0644 52.2149 41.8824 174.2938 156 A 4.6042 8.4622 124.9240 50.1842 22.8914 175.1111 157 L 4.8880 8.4026 121.5122 53.9725 43.2667 177.0425 158 T 4.2727 8.4442 111.7623 60.4903 69.9399 173.9578 159 P 4.2151 0.0000 0.0000 65.9221 31.4727 177.8777 160 I 3.7089 7.8456 116.3277 63.6758 38.1314 175.9588 161 Y 4.1707 7.5696 116.9032 58.6608 38.5105 177.0553 162 E 3.9343 8.2517 120.7491 58.8832 29.9030 176.5973 163 N 4.4964 7.7580 119.6659 53.7452 38.5334 174.4819 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 G 8.31 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 *26 T 8.36 4.33 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 N 8.30 4.57 0.00 2.73 2.93 0.00 0.00 6.86 8.00 0.00 0.00 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 N 8.19 4.55 0.00 2.85 2.97 0.00 0.00 6.03 7.00 0.00 0.00 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 G 8.08 3.83 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 0.00 0.00 0.00 30 K 8.14 4.25 0.00 1.93 1.36 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.34 7.81 31 Q 8.11 4.48 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 32 F 8.43 5.33 0.00 2.99 2.92 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 33 I 9.10 4.98 1.95 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 1.31 0.72 0.93 0.00 0.00 34 H 8.77 5.71 0.00 3.30 3.35 0.00 5.47 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 9.32 5.03 0.00 2.99 2.94 0.00 0.00 7.57 8.95 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 36 D 8.98 5.29 0.00 2.66 2.61 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 37 T 8.81 4.52 4.30 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 1.25 0.00 0.00 *39 E 8.50 4.11 0.00 2.10 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 2.31 2.39 0.00 40 G 9.78 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.55 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 42 K 7.41 4.39 0.00 1.43 1.08 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.93 1.02 7.81 43 L 8.28 4.13 0.00 1.45 1.33 1.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.81 4.60 2.21 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 0.82 0.00 0.00 1.06 0.00 0.00 45 C 7.97 5.36 0.00 3.00 2.76 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 46 R 9.37 5.07 0.00 1.97 2.16 0.00 3.54 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 47 E 9.24 4.56 0.00 1.97 1.76 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 1.49 2.14 0.00 48 I 8.61 4.87 1.68 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 0.78 0.60 0.83 0.00 0.00 49 Y 9.48 5.46 0.00 2.89 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 50 A 8.92 4.63 1.03 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 *52 N 9.08 4.64 0.00 2.92 2.91 0.00 0.00 6.45 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 53 D 7.59 4.64 0.00 2.68 2.42 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 54 A 8.49 4.47 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 55 A 7.65 4.13 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.49 4.39 0.00 4.03 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 57 G 8.10 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 58 I 7.29 3.83 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.54 0.86 0.00 0.00 59 L 8.24 4.42 0.00 1.18 1.52 0.66 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 N 9.46 4.77 0.00 2.66 2.61 0.00 0.00 6.32 7.90 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 61 P 0.00 4.34 0.00 1.04 1.82 0.00 3.14 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.92 0.00 62 V 8.98 4.32 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 0.97 0.00 0.00 1.16 0.00 0.00 63 K 7.36 5.46 0.00 1.73 1.22 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.35 7.81 *65 Y 8.36 4.93 0.00 2.85 2.21 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 66 K 8.82 5.02 0.00 1.67 1.68 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.57 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.46 7.81 67 Y 8.86 4.91 0.00 2.81 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 0.00 0.00 0.00 0.00 68 S 9.03 4.59 0.00 3.77 3.61 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 69 Y 8.58 4.82 0.00 2.94 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 70 D 8.78 4.55 0.00 2.72 2.61 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 71 T 8.68 3.90 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 1.20 0.00 0.00 72 D 8.21 4.36 0.00 2.67 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 73 Q 8.23 4.32 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.74 0.00 0.00 0.00 0.00 0.00 2.55 2.30 0.00 74 Q 7.81 3.40 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 75 K 8.12 4.99 0.00 1.73 1.56 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.36 7.81 76 T 9.12 4.95 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 1.00 0.00 0.00 77 V 8.88 4.62 1.99 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 0.71 0.00 0.00 0.87 0.00 0.00 78 K 9.01 4.62 0.00 1.64 1.47 0.00 1.39 0.00 0.00 1.44 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 0.48 7.81 79 S 8.72 4.98 0.00 3.77 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.48 4.93 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 1.43 0.00 0.00 81 Y 8.40 5.16 0.00 2.56 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 82 A 9.17 5.35 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 83 W 9.07 4.16 0.00 2.96 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 84 N 8.33 4.63 0.00 2.72 2.45 0.00 0.00 6.52 7.58 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 85 I 8.13 3.66 1.66 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.93 0.00 0.00 86 F 7.97 4.37 0.00 3.16 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 87 K 8.37 4.08 0.00 1.58 1.72 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.40 7.81 88 N 7.76 3.68 0.00 2.78 2.87 0.00 0.00 6.73 7.28 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 89 T 5.79 4.05 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 1.10 0.00 0.00 90 W 8.30 5.03 0.00 3.12 3.13 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 0.00 0.00 0.00 0.00 91 E 9.29 4.80 0.00 2.03 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 2.22 2.26 0.00 92 T 8.52 3.75 2.71 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 0.00 0.00 0.00 0.42 0.00 0.00 93 E 9.04 4.71 0.00 2.08 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 2.32 2.33 0.00 94 S 7.56 5.31 0.00 3.81 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 95 R 8.63 4.78 0.00 0.67 0.69 0.00 2.21 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.26 0.00 96 T 9.03 5.10 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 1.29 0.00 0.00 97 V 8.88 4.69 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 1.05 0.00 0.00 0.85 0.00 0.00 98 I 9.00 4.87 1.88 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 1.26 0.44 0.94 0.00 0.00 99 S 9.25 5.06 0.00 3.71 3.30 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 0.00 100 R 8.31 4.88 0.00 1.54 1.77 0.00 3.27 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 101 Y 8.52 4.79 0.00 2.97 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 0.00 102 E 8.63 3.87 0.00 2.14 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 2.20 2.30 0.00 103 T 8.66 4.13 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 1.23 0.00 0.00 104 E 8.17 5.25 0.00 2.11 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 2.34 2.32 0.00 105 T 9.11 5.19 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 106 S 9.42 5.20 0.00 4.02 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 0.00 107 V 9.18 4.98 2.44 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 1.14 0.00 0.00 1.20 0.00 0.00 108 E 9.31 5.09 0.00 1.97 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 2.16 2.19 0.00 109 Y 9.38 5.19 0.00 3.11 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 0.00 110 S 8.79 5.12 0.00 3.50 3.80 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 0.00 111 V 8.52 4.35 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 0.96 0.00 0.00 0.90 0.00 0.00 112 W 9.14 4.12 0.00 3.11 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 0.00 113 N 8.24 4.39 0.00 2.62 2.40 0.00 0.00 6.88 5.87 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 0.00 114 K 8.57 3.89 0.00 1.81 1.74 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.03 7.81 115 E 7.79 4.50 0.00 2.00 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 2.16 2.17 0.00 116 K 7.49 4.31 0.00 1.62 1.57 0.00 1.75 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.14 1.30 7.81 117 G 7.85 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 0.00 0.00 0.00 118 S 6.22 4.34 0.00 3.75 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 0.00 119 F 8.62 5.05 0.00 3.01 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 0.00 120 D 9.15 4.73 0.00 2.51 2.53 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 0.00 121 L 8.53 4.39 0.00 1.32 1.41 0.88 1.18 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 0.00 122 S 9.81 4.71 0.00 3.90 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 0.00 123 K 8.38 5.11 0.00 1.82 1.31 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.68 1.50 7.81 124 K 8.35 4.61 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.79 0.99 7.81 125 Y 8.94 5.20 0.00 2.85 2.40 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 0.00 126 I 8.68 4.98 1.94 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 0.98 0.00 0.00 127 Y 9.18 5.11 0.00 2.89 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 0.00 128 I 8.97 5.01 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.98 0.90 0.00 0.00 129 T 9.04 4.94 4.37 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 1.29 0.00 0.00 130 D 8.41 4.74 0.00 3.00 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 0.00 131 N 8.69 4.53 0.00 2.77 2.94 0.00 0.00 6.72 8.00 0.00 0.00 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 N 8.55 4.68 0.00 2.84 2.86 0.00 0.00 6.95 8.40 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 0.00 133 N 8.04 4.30 0.00 2.86 2.93 0.00 0.00 7.03 7.41 0.00 0.00 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 Q 8.08 4.27 0.00 2.26 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 135 L 8.52 4.31 0.00 1.65 1.60 1.13 1.11 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 0.00 136 I 9.05 4.02 1.70 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 0.54 0.00 0.00 137 A 7.61 5.15 1.03 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 0.00 138 Q 8.58 4.93 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 139 Y 8.88 5.24 0.00 2.86 2.52 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 0.00 140 A 8.73 5.07 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 0.00 141 Y 8.74 5.14 0.00 2.45 2.95 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 0.00 0.00 0.00 0.00 142 K 9.00 5.09 0.00 1.90 1.30 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.31 7.81 *144 N 8.82 4.73 0.00 2.79 2.81 0.00 0.00 6.67 7.63 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 0.00 145 S 8.69 4.08 0.00 3.96 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 0.00 146 R 8.19 4.07 0.00 1.85 1.88 0.00 3.24 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 147 T 7.74 4.31 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 0.00 148 N 8.13 4.05 0.00 2.75 2.81 0.00 0.00 6.93 6.67 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 0.00 149 Q 7.65 4.60 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 150 W 8.70 4.68 0.00 3.02 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 0.00 151 I 9.18 4.60 2.08 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 1.18 0.92 1.04 0.00 0.00 152 L 8.77 4.09 0.00 1.68 1.59 0.63 0.98 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 0.00 153 E 8.98 4.61 0.00 1.86 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 2.44 2.39 0.00 154 K 7.52 4.67 0.00 1.74 1.51 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.38 7.81 155 D 8.43 4.71 0.00 2.43 2.61 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 0.00 156 A 8.46 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.40 4.89 0.00 1.54 1.64 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.44 4.27 4.30 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 1.27 0.00 0.00 159 P 0.00 4.22 0.00 2.06 2.17 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 160 I 7.85 3.71 1.84 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 1.16 0.63 0.98 0.00 0.00 161 Y 7.57 4.17 0.00 3.01 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 0.00 162 E 8.25 3.93 0.00 2.19 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 2.34 2.34 0.00 163 N 7.76 4.50 0.00 2.70 2.72 0.00 0.00 6.83 8.84 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 * Residues marked with a * may have inaccurate shift predictions.