NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2448 0.0000 0.0000 62.7114 31.5486 175.5770 3 R 4.1442 8.3395 125.0039 54.0385 30.7548 174.9737 4 A 4.3624 8.1054 132.6920 49.9621 18.0463 176.1493 5 K 4.0760 7.7332 121.0758 56.2919 33.4362 178.0973 6 T 3.9699 8.7402 116.5735 65.7682 69.5566 176.0661 7 G 3.9226 7.5806 107.8400 46.9376 0.0000 176.4097 8 V 4.1134 8.2781 124.7208 62.2259 32.9608 178.3471 9 V 3.3168 7.3766 120.8706 66.0202 31.5305 177.5966 10 R 3.9238 7.8276 119.8468 58.6378 30.7500 177.9805 11 R 3.8975 7.7243 118.3227 59.4191 30.0521 178.0634 12 R 4.1881 7.8742 117.6843 58.0412 29.9847 178.9774 13 K 4.1378 7.9064 117.1673 59.9232 32.2041 178.7592 14 H 4.4239 8.1391 116.2597 58.7800 28.7550 177.8303 15 K 4.0424 7.7482 118.7861 59.3307 32.2646 179.2263 16 K 4.0451 8.0839 119.5118 58.7289 32.1884 178.7501 17 I 4.0238 7.2000 118.7571 63.8892 37.4857 177.9302 18 L 3.9706 8.0358 119.9269 58.2522 41.3331 178.8336 19 K 3.8325 7.8994 119.3775 59.4951 31.8301 178.2630 20 L 3.9127 7.9165 120.5796 57.2024 42.0595 178.9847 21 A 3.8847 7.6892 120.7076 52.9085 18.7889 177.3898 22 K 3.8040 7.1764 115.7295 58.0157 32.5365 177.0741 23 G 3.9183 8.7942 111.1931 45.5454 0.0000 173.2977 24 Y 4.8226 7.3835 116.8477 57.2773 38.8453 174.7616 25 W 4.3949 8.9059 131.2145 57.6553 32.1115 177.6570 26 G 4.1011 7.9439 112.3968 46.0991 0.0000 173.3812 27 L 3.6802 8.5926 117.1867 57.1864 41.7288 179.3663 28 R 4.3806 8.1113 117.8620 57.9849 30.1895 178.1714 29 S 4.7428 9.0284 112.3487 58.2213 64.6570 174.8805 30 K 4.5296 7.4221 118.6347 55.4546 32.6239 176.2427 31 S 4.3249 8.0563 116.4995 57.6374 64.1172 175.0418 *32 F 4.1198 8.5470 127.7490 58.9251 38.3199 172.9203 33 R 4.5252 7.8675 112.5265 57.8252 31.1437 177.7012 34 K 4.1599 8.1667 117.4828 58.6448 31.8371 178.6887 35 A 4.3133 8.5622 123.2078 54.2219 18.7901 179.2153 36 R 3.5865 7.9581 116.2265 59.8867 29.7995 178.1535 37 E 4.2459 8.7296 118.4642 59.7497 29.5337 179.0143 38 T 3.7434 7.6172 115.3320 66.8998 68.4444 176.4249 39 L 3.9362 8.0686 120.3268 58.2478 41.6319 179.5222 40 F 4.5250 7.6557 117.0268 60.8062 38.9340 178.0724 41 A 3.9183 8.0370 119.6508 54.9876 18.0430 179.5100 42 A 3.6586 7.8756 119.4063 55.2620 18.0795 180.1444 43 G 3.6988 8.9353 105.1758 47.7847 0.0000 175.5399 44 N 4.4210 7.7194 117.2751 56.2304 38.6874 176.8588 45 Y 4.2478 7.9856 117.8762 61.8976 37.8766 177.8540 46 A 4.1226 8.1702 120.4167 55.2487 18.3589 178.7623 47 Y 4.5059 8.1461 114.9916 60.8462 39.4012 179.3835 48 A 3.9389 8.1059 121.1397 55.2248 18.5123 179.1203 49 H 4.3675 9.2282 115.4380 58.8628 28.4964 177.1929 50 R 4.1803 8.5818 121.7401 57.8685 29.6942 178.4154 51 K 3.8643 7.9223 120.2646 60.6932 32.6062 178.4280 52 R 3.8603 8.3629 118.2305 58.0626 28.9846 179.4097 53 R 4.4369 8.6360 119.0309 60.9364 30.7850 179.0160 54 K 4.3139 7.7596 118.5263 59.3763 32.1466 178.3171 55 R 4.4062 8.1152 112.0600 56.3728 30.2884 177.5745 56 D 4.3111 9.5277 120.6738 57.7207 41.0073 178.6704 57 F 3.5474 7.9105 117.5802 59.9407 38.6427 177.6119 58 R 3.6705 6.9819 117.2040 59.7970 29.9623 178.2858 59 R 4.0663 7.6252 117.7554 57.7605 30.1602 178.4077 60 L 4.0331 7.4783 117.8847 58.2475 42.0147 179.6065 61 W 4.6806 8.0102 118.3628 60.2496 28.8770 178.7430 62 I 4.1366 8.8017 120.3916 64.2713 36.6593 178.3173 63 V 3.6195 7.9042 118.5962 66.3229 31.1495 178.0157 64 R 3.9728 8.2486 117.6186 59.1075 30.0021 178.6862 65 I 4.0541 7.9083 119.2941 65.5747 37.3301 176.9366 66 N 4.6987 9.4414 117.9261 55.1309 38.2801 176.5471 67 A 4.1073 8.2691 126.2960 55.1952 19.4150 179.4023 68 A 4.0651 8.9619 120.3530 55.3398 18.7741 179.5814 69 C 4.3108 8.7391 112.3092 60.6940 29.5426 175.5807 70 R 4.9613 8.3509 122.2836 58.2251 29.7630 177.3540 71 Q 4.2229 8.2835 118.5795 58.0799 29.0863 175.7108 72 H 4.8362 7.7606 115.7742 55.9145 29.0478 175.1128 73 G 4.3700 8.5039 115.2007 45.8415 0.0000 175.0856 74 L 4.3582 7.6533 119.9875 54.2744 42.0420 175.0515 75 N 5.2340 8.1892 116.5777 51.0721 40.8681 174.8396 76 Y 4.2098 8.6862 120.8898 61.1231 38.5368 177.8365 77 S 4.4264 8.5350 113.3285 62.4764 63.0439 176.0012 78 T 4.0390 8.3359 119.3009 66.4973 68.3893 176.0868 79 F 4.0831 8.5418 121.8067 61.7857 39.4319 177.8854 80 I 3.5502 7.7041 118.8139 64.3166 37.0551 177.7388 81 H 4.4979 8.7695 120.0036 59.6230 29.6823 176.4639 82 G 3.7682 8.3468 108.2534 46.1682 0.0000 175.1563 83 L 3.9524 7.9393 121.6055 56.7914 41.9183 179.4945 84 K 4.1001 7.7951 119.5364 58.7566 32.0854 178.4911 85 K 4.3906 8.4941 118.1349 56.6631 31.7525 177.1852 86 A 4.4159 8.2299 122.3133 51.2788 20.5142 178.8870 87 G 3.9558 8.4762 102.3844 45.2699 0.0000 173.8176 88 I 4.1571 6.7402 113.7961 59.8614 36.8467 178.2397 89 E 4.3413 7.5857 122.6702 56.1481 29.7078 175.2368 90 V 3.6492 7.7767 122.2497 62.8754 31.7313 180.4048 91 D 3.4611 9.2001 115.1942 52.4645 45.0298 170.6431 92 R 3.7308 7.3255 132.4775 56.7338 28.7848 178.7763 93 K 4.7079 7.4860 122.4544 58.7462 33.1588 176.8680 94 N 2.0000 7.5023 116.3866 56.2493 38.7426 176.0570 95 L 4.1512 7.2711 114.3389 55.3676 41.4386 177.1892 96 A 4.6822 7.9074 121.0383 51.5701 18.6881 179.1949 97 D 4.6563 7.5997 115.4298 55.2151 39.4051 177.8260 98 L 5.0955 8.0130 117.2993 55.4210 41.0822 177.2692 99 A 3.5669 7.5565 123.2340 52.6011 20.3140 178.8992 100 V 3.8266 7.5671 114.0784 63.9208 32.4535 176.1124 101 R 4.4653 7.9200 119.2988 55.2381 32.5859 175.3691 102 E 3.9921 8.7262 122.4026 56.4815 26.2891 173.8450 103 P 4.2737 0.0000 0.0000 66.6594 31.4003 177.3947 104 Q 4.0022 8.3037 117.5266 58.7561 28.3484 179.5201 105 V 3.6309 7.7127 117.8551 66.5618 31.7186 177.0587 106 F 3.9975 8.5474 119.4975 60.9254 39.0867 176.2397 107 A 3.7506 9.0027 120.3695 55.5904 18.1494 179.2191 108 E 3.8687 7.9702 116.8324 59.5521 29.9800 178.8803 109 L 4.0845 8.9310 120.0823 58.3070 41.6697 178.5937 110 V 2.9534 7.7403 115.4417 66.9642 30.9221 177.1976 111 E 3.9556 8.2590 121.4591 59.7910 29.4417 179.7152 112 R 4.0274 7.9942 117.8314 58.8345 29.9869 178.6649 113 A 4.1429 8.5170 121.2854 54.6246 18.7011 179.5603 114 K 4.0131 7.7859 112.1959 58.1045 32.2462 177.6230 115 A 4.3289 8.1885 123.1127 54.0983 20.0091 179.1872 116 A 4.1458 7.3697 116.5024 54.2099 18.4873 177.8326 117 Q 4.5995 7.7700 113.8057 55.3660 30.5823 175.3164 118 G 3.8338 8.3530 113.4669 45.9375 0.0000 174.3935 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 P 0.00 4.24 0.00 2.19 2.18 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 R 8.34 4.14 0.00 1.84 1.88 0.00 3.23 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 4 A 8.11 4.36 1.26 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 5 K 7.73 4.08 0.00 1.87 1.85 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 6 T 8.74 3.97 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 7 G 7.58 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 0.00 0.00 0.00 8 V 8.28 4.11 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 0.80 0.00 0.00 0.93 0.00 0.00 9 V 7.38 3.32 2.14 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 0.89 0.00 0.00 0.95 0.00 0.00 10 R 7.83 3.92 0.00 1.87 1.84 0.00 3.28 0.00 0.00 3.25 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 11 R 7.72 3.90 0.00 1.71 1.96 0.00 3.14 0.00 0.00 3.17 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 12 R 7.87 4.19 0.00 2.06 1.86 0.00 3.21 0.00 0.00 3.16 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 13 K 7.91 4.14 0.00 1.82 1.81 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.67 7.81 14 H 8.14 4.42 0.00 3.18 3.30 0.00 5.64 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 15 K 7.75 4.04 0.00 2.05 2.07 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.47 7.81 16 K 8.08 4.05 0.00 1.93 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.59 7.81 17 I 7.20 4.02 1.98 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 1.48 1.22 0.85 0.00 0.00 18 L 8.04 3.97 0.00 1.65 1.74 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.90 3.83 0.00 1.95 1.77 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.46 7.81 20 L 7.92 3.91 0.00 1.73 1.72 0.89 0.89 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 21 A 7.69 3.88 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 22 K 7.18 3.80 0.00 1.64 1.68 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 23 G 8.79 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 0.00 0.00 0.00 24 Y 7.38 4.82 0.00 3.06 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 25 W 8.91 4.39 0.00 3.55 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 26 G 7.94 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 27 L 8.59 3.68 0.00 1.76 1.80 0.95 0.89 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 28 R 8.11 4.38 0.00 2.20 2.04 0.00 3.31 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 29 S 9.03 4.74 0.00 3.83 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 30 K 7.42 4.53 0.00 1.78 1.81 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.45 7.81 31 S 8.06 4.32 0.00 3.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 F 8.55 4.12 0.00 2.34 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 0.00 0.00 0.00 0.00 33 R 7.87 4.53 0.00 1.96 2.16 0.00 2.98 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 34 K 8.17 4.16 0.00 1.89 2.00 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.49 7.81 35 A 8.56 4.31 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 36 R 7.96 3.59 0.00 1.92 2.04 0.00 3.28 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.31 0.00 37 E 8.73 4.25 0.00 2.29 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 2.49 2.58 0.00 38 T 7.62 3.74 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 0.68 0.00 0.00 39 L 8.07 3.94 0.00 1.62 1.63 0.85 1.10 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 40 F 7.66 4.52 0.00 3.42 2.93 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 41 A 8.04 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.88 3.66 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 43 G 8.94 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.72 4.42 0.00 3.03 3.02 0.00 0.00 6.84 7.36 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 45 Y 7.99 4.25 0.00 3.07 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 46 A 8.17 4.12 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 47 Y 8.15 4.51 0.00 2.94 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 48 A 8.11 3.94 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 49 H 9.23 4.37 0.00 3.43 3.41 0.00 5.81 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 50 R 8.58 4.18 0.00 2.11 1.96 0.00 3.31 0.00 0.00 3.25 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 51 K 7.92 3.86 0.00 1.69 1.87 0.00 1.80 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.35 7.81 52 R 8.36 3.86 0.00 1.96 1.94 0.00 3.19 0.00 0.00 3.01 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 53 R 8.64 4.44 0.00 2.11 2.10 0.00 3.22 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.05 0.00 54 K 7.76 4.31 0.00 2.04 1.84 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.45 7.81 55 R 8.12 4.41 0.00 1.80 1.98 0.00 3.01 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.49 0.00 56 D 9.53 4.31 0.00 2.73 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 57 F 7.91 3.55 0.00 2.20 1.56 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 58 R 6.98 3.67 0.00 1.71 1.97 0.00 3.11 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 59 R 7.63 4.07 0.00 2.02 1.78 0.00 3.05 0.00 0.00 3.08 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 60 L 7.48 4.03 0.00 1.47 1.83 0.78 0.89 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 61 W 8.01 4.68 0.00 3.48 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 62 I 8.80 4.14 2.09 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 1.79 1.00 0.63 0.00 0.00 63 V 7.90 3.62 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 1.17 0.00 0.00 0.99 0.00 0.00 64 R 8.25 3.97 0.00 2.04 1.99 0.00 3.34 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 65 I 7.91 4.05 2.29 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 1.63 1.04 0.87 0.00 0.00 66 N 9.44 4.70 0.00 3.18 3.00 0.00 0.00 7.15 8.71 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 67 A 8.27 4.11 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 68 A 8.96 4.07 1.24 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 69 C 8.74 4.31 0.00 2.74 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 70 R 8.35 4.96 0.00 1.99 2.21 0.00 3.15 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 71 Q 8.28 4.22 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 72 H 7.76 4.84 0.00 3.26 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 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 0.00 0.00 0.00 0.00 74 L 7.65 4.36 0.00 1.89 1.81 0.78 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.19 5.23 0.00 3.03 3.05 0.00 0.00 5.54 7.57 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 76 Y 8.69 4.21 0.00 3.22 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 77 S 8.53 4.43 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 78 T 8.34 4.04 4.46 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 1.26 0.00 0.00 79 F 8.54 4.08 0.00 3.17 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 80 I 7.70 3.55 1.84 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.44 0.83 0.00 0.00 81 H 8.77 4.50 0.00 3.22 3.50 0.00 5.78 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 82 G 8.35 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 83 L 7.94 3.95 0.00 1.62 1.69 1.27 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.80 4.10 0.00 2.20 1.89 0.00 1.52 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 85 K 8.49 4.39 0.00 1.56 1.63 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.35 7.81 86 A 8.23 4.42 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 87 G 8.48 3.96 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 0.00 0.00 0.00 88 I 6.74 4.16 1.84 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 1.25 0.68 0.89 0.00 0.00 89 E 7.59 4.34 0.00 1.93 1.91 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 2.27 2.27 0.00 90 V 7.78 3.65 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 0.91 0.00 0.00 0.92 0.00 0.00 91 D 9.20 3.46 0.00 2.68 2.78 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 0.00 0.00 0.00 92 R 7.33 3.73 0.00 2.09 1.80 0.00 3.15 0.00 0.00 2.96 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 93 K 7.49 4.71 0.00 2.45 2.48 0.00 1.72 0.00 0.00 1.94 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.80 1.72 7.81 94 N 7.50 2.00 0.00 1.44 2.18 0.00 0.00 7.28 6.28 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 95 L 7.27 4.15 0.00 1.82 1.58 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.91 4.68 1.46 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 0.00 0.00 97 D 7.60 4.66 0.00 2.92 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 98 L 8.01 5.10 0.00 2.04 1.93 0.98 0.74 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 99 A 7.56 3.57 0.07 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 0.00 100 V 7.57 3.83 2.05 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 0.83 0.00 0.00 0.88 0.00 0.00 101 R 7.92 4.47 0.00 1.88 1.79 0.00 3.28 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 102 E 8.73 3.99 0.00 2.22 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 2.30 2.24 0.00 103 P 0.00 4.27 0.00 2.29 2.33 0.00 3.73 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 2.10 2.10 0.00 104 Q 8.30 4.00 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 105 V 7.71 3.63 2.30 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 0.83 0.00 0.00 1.00 0.00 0.00 106 F 8.55 4.00 0.00 3.40 3.11 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 0.00 0.00 0.00 107 A 9.00 3.75 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.97 3.87 0.00 2.25 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 2.51 0.00 109 L 8.93 4.08 0.00 1.55 1.66 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.74 2.95 2.19 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 0.92 0.00 0.00 0.84 0.00 0.00 111 E 8.26 3.96 0.00 1.97 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 2.49 2.48 0.00 112 R 7.99 4.03 0.00 2.00 1.95 0.00 3.26 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 113 A 8.52 4.14 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 0.00 114 K 7.79 4.01 0.00 1.96 2.00 0.00 1.37 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.46 7.81 115 A 8.19 4.33 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.37 4.15 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 0.00 117 Q 7.77 4.60 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 118 G 8.35 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 * Residues marked with a * may have inaccurate shift predictions.