NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2930 8.1849 122.4854 54.8723 43.2751 175.8020 3 Q 4.4913 8.4531 124.0470 53.5657 31.4902 173.4491 4 I 3.3334 8.5936 123.2706 58.9415 39.2213 173.8789 5 P 4.0100 0.0000 0.0000 62.8567 31.5639 177.1227 6 Q 4.0062 8.6430 123.0562 58.3343 29.0484 176.5290 7 N 4.7356 8.0068 112.8181 53.3661 38.2229 174.9699 8 Y 4.2367 8.0346 117.2294 58.3700 38.7621 175.0871 9 I 4.7143 8.8386 122.9045 59.8075 40.5794 174.3012 10 H 4.1816 8.8070 125.5869 56.1369 29.8593 174.2427 11 T 4.4396 8.2426 116.4050 63.0433 70.3040 174.6506 12 R 4.7268 7.2562 116.7676 54.5265 33.4430 173.4117 13 S 5.2348 8.4003 113.8896 57.2482 66.9952 173.7094 14 T 4.3373 7.8823 112.0574 59.1137 71.0834 172.1610 15 P 4.2062 0.0000 0.0000 61.7639 32.7128 175.9084 16 F 4.3332 8.2332 119.7003 57.4260 39.4124 175.5067 17 W 5.3308 9.3841 123.7130 54.9621 33.3221 174.1052 18 N 5.8582 9.3705 119.2695 51.0610 40.3569 174.8921 19 K 4.0177 9.3328 117.2950 60.1892 32.1793 178.5292 20 Q 4.2243 8.3396 115.9938 58.7336 29.0464 177.4204 21 T 4.0575 8.9556 107.2964 63.7664 69.3903 175.3528 22 A 2.5800 7.8053 124.1837 50.2007 19.1400 175.1860 23 P 4.0416 0.0000 0.0000 62.3035 32.1504 177.0818 24 A 4.2791 9.0097 124.9351 55.6519 18.2901 179.7619 25 G 3.7684 8.0883 102.8807 48.1971 0.0000 175.0423 26 I 3.7078 7.7306 120.3558 62.8122 37.7393 176.5685 27 F 5.1132 7.5472 117.8322 56.3010 39.4539 174.7867 28 E 4.9084 7.3740 118.2672 53.8134 33.1001 175.3963 29 R 4.2390 8.5223 122.0059 57.6266 30.9000 175.0273 30 H 4.9773 9.0579 120.2294 55.4143 32.5505 172.0239 31 L 4.7527 8.1435 117.7417 52.8479 44.2226 176.2777 32 D 4.7398 8.7813 123.2654 53.1429 41.6449 175.9555 33 K 4.7875 8.4516 122.6374 54.4341 36.4748 175.9863 34 G 4.0138 7.7203 111.3092 45.5539 0.0000 174.3661 35 T 4.1269 8.6492 110.3364 62.7331 68.6748 174.9523 36 R 4.5733 7.5837 119.4176 53.4914 33.1094 172.9422 37 P 4.7744 0.0000 0.0000 62.0850 32.7427 175.6858 38 G 4.0008 8.6953 105.0769 46.8923 0.0000 174.0231 39 V 4.3246 8.0028 119.0859 62.5268 32.7166 174.5150 40 Y 4.6953 9.5031 126.0032 56.1335 39.7082 173.1370 41 P 4.7559 0.0000 0.0000 61.3832 33.8782 175.1227 42 R 4.4940 8.6876 123.4262 54.4735 32.9979 173.6667 43 L 4.7807 7.9672 129.8857 53.8546 43.9168 175.1226 44 S 5.4074 9.0091 123.0783 56.8937 65.5935 174.6594 45 V 4.5457 8.3389 124.6077 60.5930 34.3452 174.3788 *47 H 4.4627 8.4776 118.8186 57.0106 31.3775 172.9353 48 G 4.0158 9.2466 111.3559 45.5351 0.0000 172.2316 49 A 5.0808 8.5658 124.3288 50.6169 22.8654 176.0687 50 V 4.6261 9.1398 119.4940 60.9744 35.4549 174.0891 51 K 5.0215 9.1584 128.8549 54.8946 34.6769 173.8801 52 Y 4.7693 9.1946 128.6789 55.9116 41.3031 174.2471 53 L 4.3748 7.8178 125.4879 52.9081 44.9071 175.6875 54 G 4.1880 8.3023 111.7742 44.6086 0.0000 171.2734 55 Y 5.1939 8.7034 118.7941 55.5720 41.2067 176.1324 56 A 4.2075 8.9007 123.8105 55.1925 17.5298 176.8877 57 D 4.7659 7.8440 112.9418 52.5888 41.9827 175.1869 58 E 2.5400 8.2245 118.5232 58.3111 29.3729 177.3104 59 H 4.6858 8.4239 113.1694 54.6954 30.6602 174.1364 60 S 4.1306 7.4927 114.0831 58.6029 63.0672 174.7637 61 A 4.1333 8.6800 125.9743 54.2865 18.5489 177.5235 62 E 4.9320 7.8207 113.1053 53.4503 32.7717 174.1312 63 P 3.8606 0.0000 0.0000 62.9763 31.8461 175.6766 64 D 4.8925 8.0684 119.0451 52.7967 40.3787 175.5477 65 Q 4.4768 7.1874 116.8927 55.7124 32.5108 172.6470 66 V 4.9031 8.5699 125.7201 61.2278 34.7661 174.3273 67 I 4.5781 8.7080 127.9687 59.4499 40.4493 173.9871 68 L 4.8936 8.6420 129.4310 53.8021 43.5385 175.3926 69 I 4.4990 9.0905 127.3244 59.7561 39.8901 175.0544 70 E 4.8392 9.4781 127.0749 54.1686 32.2002 175.7514 71 A 4.3278 7.9499 124.4119 54.2983 18.6100 178.3040 72 G 4.0241 9.3872 111.4393 44.9795 0.0000 172.6532 73 Q 4.9123 8.0820 117.8895 53.9151 33.2214 174.0185 74 F 5.5656 8.1076 113.9172 55.6532 41.6854 173.6212 75 A 4.6622 8.8472 120.0522 50.5884 22.6009 175.5510 76 V 4.4709 8.4897 115.2209 60.1792 33.2617 175.6015 77 F 4.7948 8.3797 123.7576 55.2652 40.4434 174.3775 78 P 4.1022 0.0000 0.0000 62.0698 31.3732 174.8687 79 P 4.2384 0.0000 0.0000 63.5656 31.7964 175.8321 80 E 4.3016 8.6397 117.8375 57.2129 27.1680 174.1051 81 K 4.6611 7.2530 118.7042 54.0154 34.3251 175.8227 82 W 4.5458 9.0131 127.6069 57.6312 30.5354 174.8168 83 H 5.3584 9.0604 118.3382 55.9954 32.0156 171.8596 84 N 5.2334 8.4317 114.6294 52.0020 40.5079 173.4242 85 I 4.9320 8.3207 112.9564 59.4083 41.5365 173.8877 86 E 5.0958 8.8095 122.0820 55.2661 33.0688 175.1086 87 A 4.2971 8.6157 130.5396 51.3580 20.9189 175.8357 *89 T 4.2295 8.0117 105.6676 61.6746 69.7162 173.8409 90 D 4.5351 8.5813 121.0881 57.0686 40.9893 177.5346 91 D 4.6941 8.0458 116.7243 55.4863 41.4686 176.7309 92 T 4.9780 7.7916 117.0687 63.6436 68.7837 173.3657 93 Y 5.5671 8.4436 123.0465 56.0094 41.5799 173.6718 94 F 5.3144 8.8653 115.5538 56.4956 42.1826 171.9862 95 N 5.0594 9.2562 115.0711 51.4448 41.2706 173.3657 96 I 4.9031 8.4631 119.7648 59.6025 41.1448 174.2926 97 D 5.2683 8.6688 126.0920 52.4451 43.8759 175.1519 98 F 5.3517 8.5750 120.6667 55.7216 42.2462 174.4545 99 F 5.3771 9.6676 121.1171 55.7811 42.6466 174.3543 100 V 4.9884 9.0758 121.6365 60.5808 35.1566 174.7074 101 A 3.1043 8.1436 126.3851 50.9466 18.8728 175.6230 102 P 4.4733 0.0000 0.0000 61.8458 32.8993 175.1566 103 E 4.4303 8.4335 118.8260 54.5822 31.0143 175.9031 104 V 4.2668 8.2855 123.6826 61.2663 33.0619 174.6975 105 L 4.4675 8.0296 134.5819 54.2395 41.0430 175.8180 *107 E 4.0565 8.5190 124.1584 57.3462 30.5418 174.6332 108 G 4.0998 8.1641 107.4181 43.4947 0.0000 173.1081 109 A 4.1175 8.4498 120.9068 53.9298 18.7507 177.7853 110 Q 4.5261 7.7195 113.3659 54.4801 30.9096 174.8897 111 Q 4.3565 8.1239 118.1661 54.8761 30.0598 176.1235 112 R 4.1939 8.2218 118.9282 55.0778 30.2552 176.9587 113 K 4.0890 8.6503 123.4277 56.7021 32.1275 176.2834 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 L 8.18 4.29 0.00 1.60 1.65 0.99 0.37 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 3 Q 8.45 4.49 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 4 I 8.59 3.33 1.36 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.27 0.21 0.00 0.00 5 P 0.00 4.01 0.00 2.04 1.93 0.00 2.20 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 6 Q 8.64 4.01 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 7 N 8.01 4.74 0.00 2.89 2.95 0.00 0.00 6.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.03 4.24 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 9 I 8.84 4.71 1.87 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 1.13 0.66 0.92 0.00 0.00 10 H 8.81 4.18 0.00 2.81 3.04 0.00 5.71 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 11 T 8.24 4.44 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 1.16 0.00 0.00 12 R 7.26 4.73 0.00 1.80 1.95 0.00 2.78 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 13 S 8.40 5.23 0.00 3.61 3.57 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 14 T 7.88 4.34 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 1.26 0.00 0.00 15 P 0.00 4.21 0.00 1.74 1.95 0.00 2.94 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 16 F 8.23 4.33 0.00 2.91 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 17 W 9.38 5.33 0.00 2.56 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 18 N 9.37 5.86 0.00 2.98 3.14 0.00 0.00 7.12 7.12 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 19 K 9.33 4.02 0.00 1.82 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.28 1.58 7.81 20 Q 8.34 4.22 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 21 T 8.96 4.06 4.40 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 1.28 0.00 0.00 22 A 7.81 2.58 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 23 P 0.00 4.04 0.00 2.01 1.91 0.00 2.20 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.00 24 A 9.01 4.28 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 25 G 8.09 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 0.00 0.00 0.00 26 I 7.73 3.71 1.69 0.00 0.00 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 1.53 1.36 0.05 0.00 0.00 27 F 7.55 5.11 0.00 3.17 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 28 E 7.37 4.91 0.00 1.99 1.86 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 2.29 2.32 0.00 29 R 8.52 4.24 0.00 1.59 1.75 0.00 2.89 0.00 0.00 2.86 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.49 0.00 30 H 9.06 4.98 0.00 3.15 3.43 0.00 5.25 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.14 4.75 0.00 1.01 1.19 0.24 0.04 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 D 8.78 4.74 0.00 2.90 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 8.45 4.79 0.00 1.63 1.64 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.26 7.81 34 G 7.72 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 35 T 8.65 4.13 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 1.17 0.00 0.00 36 R 7.58 4.57 0.00 1.86 1.86 0.00 3.09 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 37 P 0.00 4.77 0.00 2.06 2.13 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 38 G 8.70 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 0.00 0.00 0.00 39 V 8.00 4.32 2.22 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 1.13 0.00 0.00 1.02 0.00 0.00 40 Y 9.50 4.70 0.00 3.00 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 41 P 0.00 4.76 0.00 1.92 1.82 0.00 3.74 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 42 R 8.69 4.49 0.00 1.66 1.76 0.00 2.21 0.00 0.00 2.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.38 0.00 43 L 7.97 4.78 0.00 1.35 1.34 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.01 5.41 0.00 4.02 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 45 V 8.34 4.55 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 0.84 0.00 0.00 1.07 0.00 0.00 *47 H 8.48 4.46 0.00 2.83 2.81 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.25 4.02 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 0.00 0.00 0.00 49 A 8.57 5.08 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 50 V 9.14 4.63 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 0.65 0.00 0.00 0.78 0.00 0.00 51 K 9.16 5.02 0.00 1.87 1.64 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.37 7.81 52 Y 9.19 4.77 0.00 2.71 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 53 L 7.82 4.37 0.00 1.69 1.09 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.30 4.19 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 0.00 55 Y 8.70 5.19 0.00 2.92 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 56 A 8.90 4.21 1.33 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 57 D 7.84 4.77 0.00 2.79 2.81 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 58 E 8.22 2.54 0.00 1.16 1.18 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 1.47 1.47 0.00 59 H 8.42 4.69 0.00 2.98 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.49 4.13 0.00 4.14 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 61 A 8.68 4.13 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 62 E 7.82 4.93 0.00 1.95 1.84 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 2.22 2.21 0.00 63 P 0.00 3.86 0.00 1.79 1.27 0.00 3.71 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 1.86 1.80 0.00 64 D 8.07 4.89 0.00 2.65 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 65 Q 7.19 4.48 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 66 V 8.57 4.90 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 0.89 0.00 0.00 0.85 0.00 0.00 67 I 8.71 4.58 1.91 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 1.09 0.58 0.90 0.00 0.00 68 L 8.64 4.89 0.00 1.64 1.57 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 69 I 9.09 4.50 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.95 0.00 0.00 70 E 9.48 4.84 0.00 1.88 1.84 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 2.30 2.38 0.00 71 A 7.95 4.33 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 72 G 9.39 4.02 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 0.00 0.00 0.00 73 Q 8.08 4.91 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 74 F 8.11 5.57 0.00 2.98 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 75 A 8.85 4.66 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 76 V 8.49 4.47 2.16 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 0.80 0.00 0.00 1.04 0.00 0.00 77 F 8.38 4.79 0.00 2.83 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 78 P 0.00 4.10 0.00 2.05 1.97 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 79 P 0.00 4.24 0.00 1.96 1.89 0.00 3.39 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.98 0.00 80 E 8.64 4.30 0.00 2.05 1.96 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 2.19 2.20 0.00 81 K 7.25 4.66 0.00 1.61 1.93 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.23 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.50 7.81 82 W 9.01 4.55 0.00 3.41 3.12 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 83 H 9.06 5.36 0.00 2.63 3.17 0.00 5.29 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.43 5.23 0.00 2.87 3.08 0.00 0.00 6.99 7.88 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 85 I 8.32 4.93 1.89 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 1.23 0.94 1.08 0.00 0.00 86 E 8.81 5.10 0.00 2.15 1.84 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 2.25 2.31 0.00 87 A 8.62 4.30 1.47 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 0.00 0.00 *89 T 8.01 4.23 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 90 D 8.58 4.54 0.00 2.73 2.81 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 91 D 8.05 4.69 0.00 2.76 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 92 T 7.79 4.98 4.57 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 1.55 0.00 0.00 93 Y 8.44 5.57 0.00 3.06 2.94 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 0.00 0.00 0.00 94 F 8.87 5.31 0.00 3.40 3.34 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 95 N 9.26 5.06 0.00 2.42 2.33 0.00 0.00 7.19 7.72 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 96 I 8.46 4.90 1.81 0.00 0.00 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 1.36 0.98 0.27 0.00 0.00 97 D 8.67 5.27 0.00 2.63 2.41 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 0.00 0.00 0.00 0.00 98 F 8.58 5.35 0.00 2.93 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 99 F 9.67 5.38 0.00 3.05 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 0.00 100 V 9.08 4.99 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 0.94 0.00 0.00 0.99 0.00 0.00 101 A 8.14 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.47 0.00 2.14 2.11 0.00 3.45 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 103 E 8.43 4.43 0.00 1.92 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 2.18 2.17 0.00 104 V 8.29 4.27 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 0.83 0.00 0.00 0.92 0.00 0.00 105 L 8.03 4.47 0.00 1.66 1.43 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *107 E 8.52 4.06 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 2.17 2.31 0.00 108 G 8.16 4.10 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 0.00 0.00 0.00 109 A 8.45 4.12 1.29 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 0.00 0.00 0.00 110 Q 7.72 4.53 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 111 Q 8.12 4.36 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 112 R 8.22 4.19 0.00 1.80 1.88 0.00 3.21 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 113 K 8.65 4.09 0.00 1.71 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.