NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0728 7.9127 120.3950 62.9774 33.8191 177.2677 3 E 3.7417 8.2362 119.9410 59.0889 29.6336 177.2154 4 R 4.2018 8.2389 119.0867 58.5061 30.3546 178.1571 5 L 4.0730 7.7132 119.5467 57.9786 42.2672 178.7119 6 L 4.0587 8.1700 118.9565 57.5119 41.3503 179.3593 7 E 4.0251 8.4838 119.1900 59.1757 29.3148 179.1729 8 I 3.7593 7.5715 119.3777 64.5561 37.2840 178.4240 9 I 3.7964 8.0783 120.7137 64.5037 36.9719 178.0316 10 E 3.9672 8.4265 120.4203 59.5245 29.3028 179.1654 11 R 4.0072 8.4561 118.4053 59.3133 30.1461 179.2594 12 S 4.2507 8.4039 115.3615 61.4136 62.5771 176.6271 13 L 4.0305 7.7346 120.9885 57.9121 41.4844 179.4319 14 R 4.2152 7.8710 116.3252 58.0419 30.1695 177.6709 15 K 4.4132 7.6381 114.6029 56.8185 35.5577 176.1166 16 C 4.3997 8.0890 119.9600 58.2382 31.3464 172.3160 17 P 4.4121 0.0000 0.0000 65.1489 31.3808 178.0246 18 W 4.2036 8.2711 128.3396 60.3390 30.8353 177.5414 19 L 3.4278 8.1249 119.9047 57.9191 41.3959 178.0201 20 E 3.9073 7.8051 118.1845 59.3595 29.5632 178.4888 21 K 4.0886 7.4472 115.2407 56.4627 32.7148 177.0033 22 Q 4.0107 7.3719 120.0236 54.9936 29.6033 176.3180 23 S 4.6340 8.0929 117.2566 56.8840 66.2922 174.9513 24 I 3.6072 8.2766 122.2220 64.4256 37.6179 177.5005 25 E 3.9705 8.3113 118.7842 60.1446 29.2411 179.5826 26 T 3.9038 7.6855 114.9648 66.6094 68.4184 176.9193 27 L 4.0006 8.1583 121.1275 57.5166 41.6142 179.3053 28 L 3.9762 8.5413 119.6024 58.0189 41.5520 179.5219 29 E 3.9596 8.1878 117.9694 59.3049 29.4516 179.0451 30 A 4.0265 8.2621 121.0670 55.3398 18.4002 179.4907 31 L 3.9117 8.4017 118.8305 58.2523 41.9479 179.0825 32 A 4.0471 7.9214 119.8619 54.9402 18.6543 179.2887 33 S 4.1962 8.2315 112.0564 61.7143 62.5053 176.3139 34 E 4.0438 8.2294 121.2081 59.2331 29.1546 179.0413 35 I 3.7086 7.7703 120.0823 64.8465 37.1235 178.2028 36 E 4.0292 8.0542 118.5602 59.3550 29.2502 179.2416 37 E 3.9651 8.0682 118.2580 59.0098 29.4602 179.4947 38 V 3.5258 7.7793 118.3587 65.8182 31.6897 177.6381 39 A 3.9765 7.9919 120.5952 55.4262 18.1722 179.1653 40 E 3.8552 8.4333 117.4518 59.4913 29.7080 178.9573 41 A 4.0160 7.9766 120.8259 54.8402 18.3914 179.6929 42 V 3.4877 8.2376 117.2722 66.2158 31.4237 178.0848 43 K 3.8920 7.7742 116.7657 59.6560 32.0815 178.3820 44 K 4.2542 7.8795 114.5970 55.4731 32.6153 176.5452 45 N 4.0092 8.2240 116.5888 53.8767 36.8679 175.8598 46 D 4.6318 7.8443 118.6788 53.1359 41.2771 175.1295 47 L 4.0516 8.2005 127.3465 57.4161 41.9473 178.8687 48 A 4.0072 7.9220 120.3628 55.1291 18.2991 179.0088 49 N 4.3143 8.3730 115.2301 56.4164 38.9950 176.9353 50 L 3.9486 8.3145 122.3960 58.0294 42.2206 178.6903 51 E 3.8928 8.3043 119.2627 59.2285 29.5507 177.8196 52 E 3.8717 8.0587 119.2275 59.9765 29.3740 178.8461 53 E 3.9689 8.4465 117.8507 59.2758 29.6160 178.9937 54 I 3.9678 8.0115 119.7545 64.4681 37.5306 178.2830 55 G 3.8259 7.9312 105.6072 47.9234 0.0000 175.5088 56 D 4.4420 8.0222 120.1692 55.2706 41.4617 178.6548 *58 I 4.0910 7.6615 122.0911 61.6938 39.4217 177.0804 59 Y 4.3011 8.2741 120.6666 61.2489 38.5127 178.2632 60 D 4.1376 8.3905 119.2627 57.0796 40.7875 178.6073 61 A 3.9686 7.9358 120.8533 55.2803 18.4041 179.5845 62 L 3.9349 8.1509 117.6620 57.7811 41.5178 179.7229 63 L 3.9650 8.2082 119.3686 57.2400 41.3461 179.7854 64 V 3.5342 7.6564 118.3815 65.8062 31.5538 177.4713 65 A 3.9498 8.1332 120.6803 55.5609 18.0777 179.1586 66 A 3.9357 8.2630 119.1421 55.5832 18.3931 179.7540 67 V 3.6752 7.6509 115.5987 64.9594 31.7016 177.9814 68 A 4.2320 8.2003 121.1364 55.2347 18.0627 179.4089 69 Q 4.1903 8.1872 119.2803 58.7198 28.9572 178.1513 70 R 3.8092 7.9046 118.6585 59.7291 30.2677 177.7422 71 D 4.3679 8.3981 116.9554 55.5605 41.2320 176.8262 72 Y 4.4818 7.5934 113.0337 56.6477 39.4966 175.9399 73 G 3.9322 8.1654 107.2750 46.0391 0.0000 173.9971 74 I 3.7246 7.6923 121.6908 61.1829 37.5849 174.7653 75 D 4.7013 8.5604 124.8546 53.3032 42.9844 176.7413 76 L 3.9872 8.4159 128.2140 58.1974 42.3706 178.7588 77 E 3.9531 8.2363 118.0681 59.6324 29.4852 179.2352 78 S 4.1363 8.1396 114.3414 61.7046 62.7742 176.6140 79 A 4.0145 8.0105 123.2984 55.0321 18.1171 179.8196 80 I 3.6894 8.3271 118.6616 64.7983 37.2807 178.8321 81 Q 4.0782 8.6368 118.9273 58.3576 28.4068 178.8262 82 K 3.9399 8.1885 121.4826 59.4752 32.2548 179.2907 83 V 3.7045 7.5853 119.5884 64.5820 31.4175 178.4889 84 V 3.5871 7.8941 119.0305 65.8226 31.3387 177.8124 85 E 3.9309 8.1370 118.3927 59.3022 29.3009 179.1042 86 K 3.9138 8.0063 119.5706 59.4121 32.2689 178.5048 87 I 3.6582 7.9367 120.0532 64.9792 36.9582 178.5887 88 S 4.2874 7.8767 114.0228 61.6553 62.6443 176.1303 89 H 4.2247 8.0636 120.1416 59.4760 29.8304 177.2247 90 R 4.0090 8.2243 118.8642 57.8583 31.6179 177.3207 91 K 2.8457 7.7850 117.2212 53.3829 32.2534 175.2319 92 P 4.1614 0.0000 0.0000 64.7142 32.2532 179.3255 93 W 3.3276 7.0520 115.8366 58.2910 27.8728 177.8159 94 L 3.7579 6.6520 118.1966 56.7735 40.9388 177.7773 95 F 4.8058 7.6812 115.7337 56.5587 39.3960 174.7189 96 W 5.0589 7.8031 120.7804 54.6108 30.6114 174.8693 97 E 3.8956 8.7819 123.9272 60.0686 29.4863 176.6093 98 E 4.1229 7.9157 119.1130 56.1713 30.3394 177.4856 99 K 4.4272 8.5029 122.6951 56.2791 32.9718 175.9906 100 I 4.7344 7.7206 112.7095 58.1994 40.7478 175.8920 101 S 4.3088 8.2004 116.4223 57.7265 65.0504 174.9098 102 L 3.6808 8.3486 124.2499 58.5738 41.6803 179.0555 103 E 4.1632 7.8608 119.7475 58.6269 29.6557 178.2038 104 E 3.8722 8.2555 118.4772 59.4296 29.5588 178.8679 105 A 2.8478 7.6856 120.9081 55.0101 17.7197 179.5656 106 E 4.0215 8.4780 116.0971 59.5258 29.6778 179.3839 107 K 4.0738 8.1430 119.5105 59.2382 32.0590 179.2550 108 I 3.9612 8.0345 120.0334 64.3632 37.1397 178.3705 109 W 4.2347 8.6508 129.2775 60.3082 30.3812 177.7430 110 K 3.8270 9.0535 119.5705 59.4399 31.6632 178.1583 111 E 4.1586 7.7368 117.0466 59.0813 29.5415 178.7192 112 R 3.8425 7.8225 116.9021 59.5537 30.2012 178.5135 113 K 3.5628 7.3409 117.0527 58.6372 31.9924 176.9297 114 K 4.0901 7.4669 121.7596 56.8024 32.7987 176.1469 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 2 V 7.91 4.07 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 1.02 0.00 0.00 0.94 0.00 0.00 3 E 8.24 3.74 0.00 2.16 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 2.49 2.47 0.00 4 R 8.24 4.20 0.00 1.89 1.98 0.00 3.45 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 5 L 7.71 4.07 0.00 1.79 1.90 1.04 0.76 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 6 L 8.17 4.06 0.00 1.88 1.73 0.94 1.00 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 7 E 8.48 4.03 0.00 2.17 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 2.34 2.57 0.00 8 I 7.57 3.76 2.10 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 0.98 0.00 0.00 9 I 8.08 3.80 2.06 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 1.82 1.25 0.94 0.00 0.00 10 E 8.43 3.97 0.00 2.07 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 0.00 2.33 2.42 0.00 11 R 8.46 4.01 0.00 2.09 2.00 0.00 3.20 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 12 S 8.40 4.25 0.00 4.14 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 0.00 13 L 7.73 4.03 0.00 1.83 1.74 0.93 0.95 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 14 R 7.87 4.22 0.00 1.95 2.00 0.00 3.11 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 15 K 7.64 4.41 0.00 1.73 1.81 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.47 7.81 16 C 8.09 4.40 0.00 3.10 3.10 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 17 P 0.00 4.41 0.00 2.32 2.21 0.00 3.92 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 2.09 2.07 0.00 18 W 8.27 4.20 0.00 3.52 3.38 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 19 L 8.12 3.43 0.00 2.03 1.72 0.79 0.91 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 20 E 7.81 3.91 0.00 2.00 2.12 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 2.28 2.32 0.00 21 K 7.45 4.09 0.00 1.68 1.71 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.57 1.57 7.81 22 Q 7.37 4.01 0.00 1.59 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 23 S 8.09 4.63 0.00 4.17 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 24 I 8.28 3.61 1.99 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 1.63 1.33 0.99 0.00 0.00 25 E 8.31 3.97 0.00 2.09 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 2.41 2.49 0.00 26 T 7.69 3.90 4.32 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 1.23 0.00 0.00 27 L 8.16 4.00 0.00 1.78 1.68 0.88 0.57 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 28 L 8.54 3.98 0.00 1.87 1.72 0.89 1.01 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 29 E 8.19 3.96 0.00 2.23 2.02 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 2.34 2.33 0.00 30 A 8.26 4.03 1.43 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 31 L 8.40 3.91 0.00 1.74 1.88 0.93 1.07 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 32 A 7.92 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 33 S 8.23 4.20 0.00 3.92 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 34 E 8.23 4.04 0.00 2.08 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 2.58 2.63 0.00 35 I 7.77 3.71 2.04 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 1.53 0.93 0.92 0.00 0.00 36 E 8.05 4.03 0.00 2.20 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 2.54 2.50 0.00 37 E 8.07 3.97 0.00 2.20 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 2.41 2.58 0.00 38 V 7.78 3.53 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 1.06 0.00 0.00 0.97 0.00 0.00 39 A 7.99 3.98 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 40 E 8.43 3.86 0.00 2.08 2.20 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 2.31 2.38 0.00 41 A 7.98 4.02 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 42 V 8.24 3.49 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 0.99 0.00 0.00 0.97 0.00 0.00 43 K 7.77 3.89 0.00 2.04 1.90 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 44 K 7.88 4.25 0.00 1.74 1.83 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.38 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.67 1.61 7.81 45 N 8.22 4.01 0.00 2.73 2.82 0.00 0.00 6.79 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 46 D 7.84 4.63 0.00 2.72 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 47 L 8.20 4.05 0.00 1.73 1.69 0.92 0.75 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 48 A 7.92 4.01 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 49 N 8.37 4.31 0.00 2.89 2.93 0.00 0.00 6.82 5.95 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 50 L 8.31 3.95 0.00 1.85 1.80 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.30 3.89 0.00 2.14 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 0.00 2.30 2.31 0.00 52 E 8.06 3.87 0.00 2.09 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 0.00 2.31 2.36 0.00 53 E 8.45 3.97 0.00 1.96 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 2.64 2.65 0.00 54 I 8.01 3.97 2.01 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 1.70 0.74 0.92 0.00 0.00 55 G 7.93 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 56 D 8.02 4.44 0.00 3.00 3.06 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 *58 I 7.66 4.09 1.93 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 1.33 0.85 0.97 0.00 0.00 59 Y 8.27 4.30 0.00 3.05 3.32 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 60 D 8.39 4.14 0.00 2.91 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 61 A 7.94 3.97 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 62 L 8.15 3.93 0.00 1.93 1.74 0.98 0.92 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 63 L 8.21 3.96 0.00 1.58 1.60 0.69 0.77 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 64 V 7.66 3.53 2.18 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 1.07 0.00 0.00 0.92 0.00 0.00 65 A 8.13 3.95 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 66 A 8.26 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.65 3.68 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 0.91 0.00 0.00 68 A 8.20 4.23 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 69 Q 8.19 4.19 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 70 R 7.90 3.81 0.00 1.96 2.03 0.00 3.26 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 71 D 8.40 4.37 0.00 2.58 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 0.00 0.00 0.00 72 Y 7.59 4.48 0.00 3.09 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 73 G 8.17 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 74 I 7.69 3.72 1.91 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 1.44 0.97 0.92 0.00 0.00 75 D 8.56 4.70 0.00 2.79 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 76 L 8.42 3.99 0.00 1.80 1.65 0.93 1.01 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 77 E 8.24 3.95 0.00 2.02 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 0.00 2.41 2.36 0.00 78 S 8.14 4.14 0.00 3.99 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 79 A 8.01 4.01 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 80 I 8.33 3.69 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 1.53 0.95 0.92 0.00 0.00 81 Q 8.64 4.08 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 82 K 8.19 3.94 0.00 2.05 1.94 0.00 1.50 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 V 7.59 3.70 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 0.78 0.00 0.00 0.94 0.00 0.00 84 V 7.89 3.59 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 1.04 0.00 0.00 0.98 0.00 0.00 85 E 8.14 3.93 0.00 2.29 1.95 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 2.29 2.29 0.00 86 K 8.01 3.91 0.00 1.84 1.98 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 87 I 7.94 3.66 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.81 0.84 0.00 0.00 88 S 7.88 4.29 0.00 3.77 3.71 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 0.00 89 H 8.06 4.22 0.00 3.14 3.50 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.22 4.01 0.00 1.84 2.16 0.00 3.25 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 91 K 7.78 2.85 0.00 1.20 0.74 0.00 1.60 0.00 0.00 1.47 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.09 1.20 7.81 92 P 0.00 4.16 0.00 1.61 2.14 0.00 3.40 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 93 W 7.05 3.33 0.00 3.46 3.15 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 94 L 6.65 3.76 0.00 0.70 0.91 0.59 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 95 F 7.68 4.81 0.00 3.12 3.09 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 0.00 0.00 0.00 0.00 96 W 7.80 5.06 0.00 3.58 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 97 E 8.78 3.90 0.00 2.00 1.98 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 2.34 2.41 0.00 98 E 7.92 4.12 0.00 2.05 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 2.29 0.00 99 K 8.50 4.43 0.00 1.77 1.77 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.47 7.81 100 I 7.72 4.73 2.04 0.00 0.00 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 1.21 0.28 1.24 0.00 0.00 101 S 8.20 4.31 0.00 4.01 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 0.00 102 L 8.35 3.68 0.00 1.68 1.64 0.79 0.71 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 0.00 103 E 7.86 4.16 0.00 2.04 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 0.00 2.34 2.24 0.00 104 E 8.26 3.87 0.00 2.11 1.98 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 2.33 2.30 0.00 105 A 7.69 2.85 0.23 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 0.00 106 E 8.48 4.02 0.00 2.23 2.17 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 2.45 2.42 0.00 107 K 8.14 4.07 0.00 2.08 1.96 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.71 7.81 108 I 8.03 3.96 2.45 0.00 0.00 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 1.62 1.00 1.22 0.00 0.00 109 W 8.65 4.23 0.00 3.97 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 0.00 110 K 9.05 3.83 0.00 1.99 2.13 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.52 7.81 111 E 7.74 4.16 0.00 2.23 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 2.58 2.53 0.00 112 R 7.82 3.84 0.00 1.56 1.84 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 113 K 7.34 3.56 0.00 1.30 1.49 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.84 0.21 7.81 114 K 7.47 4.09 0.00 1.75 1.70 0.00 1.59 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.