NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.2336 8.1693 122.4891 55.1336 43.3658 177.0202 10 T 4.2125 8.1951 117.1506 60.6868 71.4713 174.5422 11 T 3.8672 8.6996 120.0164 66.7355 68.8987 178.0343 12 A 4.0519 7.9577 122.2877 55.0418 18.4165 179.3228 13 D 4.2454 8.0832 116.9339 57.4736 40.9864 178.6066 14 A 3.9539 7.9958 121.1915 55.3366 18.2806 179.8930 15 K 3.9233 8.1380 116.7957 59.4265 31.8953 179.5413 16 K 3.9886 7.9415 118.9985 59.4288 32.2115 178.7048 17 I 3.9072 7.9433 120.1335 64.5583 37.1060 178.5361 18 L 4.1350 8.0076 119.6774 57.6984 41.4796 179.0986 19 N 4.7139 8.7890 116.4148 55.4451 38.2437 177.2504 20 K 3.9190 7.7405 119.6329 58.8335 32.2703 178.0149 21 F 4.5403 8.3711 116.3151 56.0317 39.2399 175.0599 22 N 4.3150 7.4227 117.4051 55.6207 38.9312 173.7946 23 C 3.9973 8.9257 120.6264 60.4688 26.2170 172.7007 24 L 4.2878 8.1486 121.5564 54.6586 41.7370 177.7420 25 D 4.3455 8.8633 124.2200 56.3763 42.2784 176.1222 26 I 5.0132 7.5964 118.1358 58.8990 39.7073 175.7462 27 A 4.5256 8.8598 130.2987 51.4192 18.8152 175.6144 28 P 4.4303 0.0000 0.0000 62.1976 32.4367 175.7447 29 I 4.0817 8.1571 119.8158 60.2616 38.1815 174.9988 30 L 4.8061 8.1882 127.7049 52.9548 43.6854 177.3153 31 K 4.2184 8.7141 121.2907 55.5636 33.9235 176.6402 32 P 4.2364 0.0000 0.0000 66.3626 31.3736 179.2729 33 S 4.2093 7.9989 113.0057 61.3297 62.8419 176.3862 34 E 4.0110 8.1317 121.0981 59.1998 29.1496 179.2923 35 K 3.8800 8.1317 118.6138 59.3516 32.1295 178.8839 36 E 3.8339 7.9174 119.2117 59.3756 29.4977 179.0971 37 S 4.0801 7.9377 114.8874 61.6797 62.8741 176.9145 38 V 3.5475 7.7758 120.8855 65.7812 31.1026 178.2960 39 R 3.5559 8.0604 118.2103 59.1576 29.8712 179.1086 40 R 3.8687 7.9136 117.4740 59.2843 30.1011 178.8650 41 A 3.9188 7.9918 120.4054 55.1823 18.3185 179.5051 42 L 3.7973 8.0321 118.8154 58.2826 41.9543 179.2426 43 I 3.7316 7.8709 119.1610 64.0961 37.2917 177.9574 44 L 4.0661 8.0762 121.2124 58.3924 42.0752 179.0552 45 I 3.7387 7.8453 119.9678 64.6322 37.1393 178.5912 46 T 3.9921 8.1621 110.5862 64.5800 68.3407 176.4715 47 K 4.2112 7.8561 119.9250 58.0154 32.3293 177.4562 48 L 4.5858 7.6136 119.3030 54.2391 41.6898 175.9171 49 S 5.1449 7.5705 111.6405 55.3264 66.1034 173.7827 50 D 4.8455 8.6482 121.7230 57.4798 41.4030 175.9349 51 Y 5.1122 7.2953 114.2153 56.3448 41.6987 173.5102 52 Q 5.2318 9.3447 117.5718 54.2011 33.2586 174.7341 53 I 4.8904 8.6777 122.0103 59.5654 40.6796 174.4742 54 L 5.0533 8.9434 126.8947 52.8333 44.6281 175.6302 55 G 4.2435 8.8901 110.1882 44.3625 0.0000 171.6479 56 I 4.8740 8.0447 126.6452 59.5297 40.5145 174.2588 57 C 5.0749 8.9985 125.0687 57.8365 30.5025 173.0656 58 A 4.9445 8.8147 124.5078 50.1228 22.0698 176.7727 59 D 4.3805 8.9337 119.3996 57.0517 41.5200 176.8407 60 T 4.8049 7.5102 107.4674 58.8055 73.1659 174.3122 61 A 4.0003 8.6419 124.0279 55.6849 18.3132 179.8787 62 D 4.3345 8.0742 116.6936 57.5884 40.9670 178.8226 63 E 4.0642 8.2580 119.0525 59.2589 29.2741 179.5312 64 G 3.5947 7.8322 104.6356 47.9574 0.0000 175.4752 65 L 4.1235 8.1278 120.8464 57.0464 41.8962 179.0204 66 L 4.1537 8.2367 120.4917 57.9624 41.9419 179.4932 67 A 4.1490 7.8517 117.3802 52.9567 18.2354 179.0089 *69 K 4.2100 8.0178 121.8863 58.4890 34.8470 178.3047 70 T 3.9157 8.1581 110.4096 64.6843 68.8576 176.4110 71 Y 3.4972 8.5835 120.5982 60.5099 37.8249 178.8396 72 S 4.2478 8.0934 114.7244 61.5838 63.1393 175.8066 73 H 4.0587 8.1981 121.5086 59.0941 29.4681 177.1637 74 A 3.7591 7.3709 120.9381 54.6312 18.0908 178.6429 75 L 4.2352 7.6664 114.8876 54.4252 41.9640 177.4003 76 G 3.6500 7.7596 107.0962 46.2837 0.0000 172.8182 77 Y 4.7250 8.2736 117.3879 55.5733 39.5626 175.7951 78 E 4.2276 8.7293 125.0410 56.1999 30.4977 175.7135 79 V 4.5968 7.8744 116.1024 58.8700 36.0132 173.8030 80 P 4.4679 0.0000 0.0000 62.5521 33.3989 175.0009 *82 D 4.3682 8.4292 116.4413 53.6007 40.8981 170.6984 83 L 4.6223 8.2716 124.6058 51.6455 43.1116 175.1744 84 P 4.3924 0.0000 0.0000 62.7889 31.9015 176.2855 85 V 4.3513 8.0089 114.0523 60.0188 33.7611 175.1245 86 V 4.5922 7.7702 113.0875 59.5256 35.3485 175.4518 87 E 4.2027 8.5636 120.4100 56.9925 30.3235 178.4966 88 G 3.8666 8.4942 109.8868 43.9903 0.0000 171.3161 89 P 4.8109 0.0000 0.0000 62.3995 32.6316 176.2793 90 V 5.1730 8.9676 115.4062 59.7753 36.1730 173.8179 91 Y 5.0200 9.0807 123.6179 55.8596 41.7218 174.2558 92 I 4.6903 8.0083 127.1416 59.1431 40.6939 174.2249 93 K 4.5250 7.7601 127.7085 54.3143 34.8143 174.7833 94 L 4.4333 8.3890 128.0356 53.4937 45.3280 174.4952 95 N 4.9275 9.3905 127.6449 51.9626 39.5586 175.7704 96 G 3.3654 8.7787 115.3607 48.5542 0.0000 174.7110 97 K 3.9372 8.5734 120.4714 58.9539 32.7330 177.6485 98 N 4.7022 8.0834 112.9679 51.4365 37.8420 175.2401 99 G 3.8439 8.2073 106.9070 45.3406 0.0000 173.8359 100 L 4.1243 8.5376 123.3313 55.8363 43.0936 175.8042 101 C 5.4790 8.7365 122.5555 58.6361 32.3140 172.6777 102 Y 4.8856 7.7577 119.5444 56.1126 41.0027 172.7659 103 L 5.3031 8.6904 121.7461 53.5657 44.7526 175.1157 104 D 5.2325 9.4396 125.4086 52.0205 45.1844 175.2134 105 S 4.6261 8.8048 115.6173 58.8571 63.1882 172.5846 106 Y 4.9086 8.7944 127.9519 56.0012 40.2311 174.9676 107 A 4.1811 8.4840 128.5815 51.8305 19.6550 176.8142 108 G 3.3501 5.3800 105.4852 44.8401 0.0000 173.7576 109 H 4.8916 8.3371 114.7486 55.6534 29.9152 173.7025 110 H 4.9907 8.5256 116.9444 55.4636 29.7491 175.1179 111 R 4.7579 8.9256 119.7284 55.8188 34.4356 173.9519 112 G 4.1197 8.4562 107.0298 43.8077 0.0000 171.6391 113 V 4.6115 8.7091 118.9503 61.0185 34.2504 175.4939 114 L 4.9804 8.9407 128.4682 53.2671 43.6952 175.6617 115 V 4.5892 8.6406 124.5484 61.2392 33.1741 175.2337 116 S 4.4135 9.0687 126.4059 58.1452 64.0875 173.3393 117 C 4.9341 9.2473 124.2970 58.2827 29.8372 173.1392 118 Q 4.9507 8.3733 122.8302 54.0091 32.0631 174.9825 119 S 5.0538 9.2224 117.4918 57.0978 66.8256 175.1099 120 Y 4.0485 9.9650 121.2597 59.8634 38.2542 175.6889 121 Y 4.7314 7.7227 117.1154 55.4500 40.9474 174.8985 122 E 4.2369 8.7881 123.3655 58.1040 30.2352 175.6181 123 G 4.1971 9.1093 110.2947 45.7020 0.0000 174.4973 124 G 3.9273 7.7627 105.3305 45.6683 0.0000 173.9581 125 I 4.0382 8.0999 122.8401 61.3505 37.7780 176.6248 126 N 5.0374 8.5782 123.0573 51.3575 39.1863 174.0656 127 E 4.0997 8.7754 124.9063 55.3058 34.8512 173.2416 *129 Y 4.5677 8.5703 118.7897 59.5736 39.9184 174.5405 130 G 4.2736 8.8537 107.4398 43.4964 0.0000 172.5306 131 H 4.7954 8.7194 117.8330 55.5249 29.2441 175.9914 132 L 4.4048 8.8715 123.2814 52.4934 44.1464 174.3707 133 P 4.6178 0.0000 0.0000 62.6115 31.9075 177.8951 134 L 4.0327 8.8768 123.5202 57.4551 42.0065 177.8011 135 D 4.9314 7.9838 116.2361 52.8626 39.7113 177.6690 136 L 3.7398 7.7188 124.4408 58.1233 41.8937 177.9114 137 F 4.7366 7.9446 114.6464 57.0175 39.5120 175.5068 138 V 3.9954 7.7004 126.6682 63.0283 31.2888 175.2994 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 9 L 8.17 4.23 0.00 1.59 1.64 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.20 4.21 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 11 T 8.70 3.87 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 1.23 0.00 0.00 12 A 7.96 4.05 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 13 D 8.08 4.25 0.00 2.93 2.72 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 14 A 8.00 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.14 3.92 0.00 2.01 1.95 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.67 7.81 16 K 7.94 3.99 0.00 2.19 1.97 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.35 7.81 17 I 7.94 3.91 2.01 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 1.54 0.65 0.97 0.00 0.00 18 L 8.01 4.13 0.00 1.30 1.23 0.13 0.27 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 19 N 8.79 4.71 0.00 3.01 2.94 0.00 0.00 6.91 6.48 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 20 K 7.74 3.92 0.00 1.50 1.54 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.78 7.81 21 F 8.37 4.54 0.00 3.36 3.17 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 22 N 7.42 4.31 0.00 2.82 2.89 0.00 0.00 7.14 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 23 C 8.93 4.00 0.00 3.18 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 24 L 8.15 4.29 0.00 1.96 1.71 0.91 1.35 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 25 D 8.86 4.35 0.00 2.63 2.75 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 26 I 7.60 5.01 1.91 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 1.33 0.66 0.95 0.00 0.00 27 A 8.86 4.53 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 28 P 0.00 4.43 0.00 2.25 2.10 0.00 4.11 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 2.25 1.99 0.00 29 I 8.16 4.08 1.90 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 1.43 0.73 0.93 0.00 0.00 30 L 8.19 4.81 0.00 1.69 1.60 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.71 4.22 0.00 1.81 1.73 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 32 P 0.00 4.24 0.00 2.14 2.10 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 33 S 8.00 4.21 0.00 3.85 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 34 E 8.13 4.01 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 35 K 8.13 3.88 0.00 1.95 1.71 0.00 1.71 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.57 7.81 36 E 7.92 3.83 0.00 2.01 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 2.28 2.37 0.00 37 S 7.94 4.08 0.00 4.08 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 38 V 7.78 3.55 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 0.78 0.00 0.00 1.10 0.00 0.00 39 R 8.06 3.56 0.00 1.88 1.84 0.00 3.06 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 40 R 7.91 3.87 0.00 1.97 1.96 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 41 A 7.99 3.92 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 42 L 8.03 3.80 0.00 1.77 1.82 0.91 1.19 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 43 I 7.87 3.73 2.07 0.00 0.00 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 1.44 0.88 0.90 0.00 0.00 44 L 8.08 4.07 0.00 1.69 1.76 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.85 3.74 1.82 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 1.62 0.78 0.99 0.00 0.00 46 T 8.16 3.99 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 47 K 7.86 4.21 0.00 1.92 1.90 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.65 7.81 48 L 7.61 4.59 0.00 1.90 1.68 0.93 0.66 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 49 S 7.57 5.14 0.00 4.04 3.77 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 0.00 0.00 0.00 0.00 50 D 8.65 4.85 0.00 2.96 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.30 5.11 0.00 3.21 3.19 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 52 Q 9.34 5.23 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 53 I 8.68 4.89 1.89 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 1.42 1.06 0.94 0.00 0.00 54 L 8.94 5.05 0.00 1.35 1.34 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.89 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 56 I 8.04 4.87 1.60 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.36 0.78 0.00 0.00 57 C 9.00 5.07 0.00 2.74 2.75 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 58 A 8.81 4.94 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 59 D 8.93 4.38 0.00 3.05 2.77 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 0.00 0.00 0.00 0.00 60 T 7.51 4.80 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 61 A 8.64 4.00 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 62 D 8.07 4.33 0.00 2.71 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 63 E 8.26 4.06 0.00 2.21 2.00 0.00 0.00 0.00 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 2.34 0.00 64 G 7.83 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.13 4.12 0.00 1.63 1.73 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.24 4.15 0.00 1.84 1.89 0.95 1.20 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 67 A 7.85 4.15 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 *69 K 8.02 4.21 0.00 2.07 2.12 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.01 7.81 70 T 8.16 3.92 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 1.32 0.00 0.00 71 Y 8.58 3.50 0.00 3.05 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 72 S 8.09 4.25 0.00 4.14 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 73 H 8.20 4.06 0.00 3.27 3.45 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.37 3.76 0.33 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 0.00 0.00 0.00 75 L 7.67 4.24 0.00 1.82 1.75 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.76 3.65 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 0.00 77 Y 8.27 4.73 0.00 3.09 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 78 E 8.73 4.23 0.00 2.23 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.90 0.00 79 V 7.87 4.60 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 0.80 0.00 0.00 0.95 0.00 0.00 80 P 0.00 4.47 0.00 2.23 2.09 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 *82 D 8.43 4.37 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.62 0.00 1.62 1.63 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.39 0.00 2.06 1.99 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 85 V 8.01 4.35 2.10 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 0.74 0.00 0.00 0.94 0.00 0.00 86 V 7.77 4.59 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 0.78 0.00 0.00 1.01 0.00 0.00 87 E 8.56 4.20 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 88 G 8.49 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 89 P 0.00 4.81 0.00 2.43 2.20 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 90 V 8.97 5.17 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 0.85 0.00 0.00 0.92 0.00 0.00 91 Y 9.08 5.02 0.00 2.85 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 92 I 8.01 4.69 1.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.42 0.75 0.00 0.00 93 K 7.76 4.52 0.00 1.30 0.74 0.00 1.39 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.00 1.05 7.81 94 L 8.39 4.43 0.00 1.49 1.25 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.39 4.93 0.00 2.70 2.88 0.00 0.00 6.74 8.17 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 96 G 8.78 3.37 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 0.00 97 K 8.57 3.94 0.00 1.20 0.74 0.00 1.35 0.00 0.00 1.17 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.09 1.12 7.81 98 N 8.08 4.70 0.00 2.76 2.85 0.00 0.00 6.05 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 99 G 8.21 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 0.00 0.00 0.00 100 L 8.54 4.12 0.00 1.93 1.59 1.05 1.05 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 0.00 101 C 8.74 5.48 0.00 2.81 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 0.00 102 Y 7.76 4.89 0.00 3.00 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 0.00 103 L 8.69 5.30 0.00 1.63 1.59 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.44 5.23 0.00 2.84 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 0.00 105 S 8.80 4.63 0.00 3.92 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 0.00 106 Y 8.79 4.91 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 0.00 107 A 8.48 4.18 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 5.38 3.35 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 0.00 109 H 8.34 4.89 0.00 3.09 3.30 0.00 5.89 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.53 4.99 0.00 3.26 3.08 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.93 4.76 0.00 1.82 1.79 0.00 3.32 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 112 G 8.46 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.71 4.61 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 0.29 0.00 0.00 0.41 0.00 0.00 114 L 8.94 4.98 0.00 1.53 1.51 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.64 4.59 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 0.90 0.00 0.00 1.07 0.00 0.00 116 S 9.07 4.41 0.00 3.88 3.74 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 0.00 117 C 9.25 4.93 0.00 2.85 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 0.00 118 Q 8.37 4.95 0.00 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.76 0.00 0.00 0.00 0.00 0.00 1.97 2.26 0.00 119 S 9.22 5.05 0.00 3.66 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 0.00 120 Y 9.96 4.05 0.00 3.09 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 0.00 121 Y 7.72 4.73 0.00 3.09 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 0.00 122 E 8.79 4.24 0.00 2.30 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 2.31 1.88 0.00 123 G 9.11 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 0.00 0.00 0.00 0.00 124 G 7.76 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 0.00 125 I 8.10 4.04 1.90 0.00 0.00 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 1.26 0.95 1.02 0.00 0.00 126 N 8.58 5.04 0.00 2.49 2.62 0.00 0.00 6.82 7.66 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 0.00 127 E 8.78 4.10 0.00 1.65 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 *129 Y 8.57 4.57 0.00 2.95 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 0.00 130 G 8.85 4.27 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 0.00 131 H 8.72 4.80 0.00 3.16 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.87 4.40 0.00 1.61 1.44 0.90 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.62 0.00 2.09 2.01 0.00 3.47 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.35 0.00 134 L 8.88 4.03 0.00 1.68 1.78 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 135 D 7.98 4.93 0.00 2.84 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 0.00 136 L 7.72 3.74 0.00 1.54 1.31 0.60 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 137 F 7.94 4.74 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.70 4.00 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 0.77 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.