NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3886 8.2649 123.5926 51.9758 19.9589 175.9288 3 I 4.0957 8.2567 120.8840 59.2696 38.5002 173.8102 4 D 4.6081 8.4101 125.0459 53.1094 42.7279 176.8124 5 V 2.6889 8.4174 126.7359 64.6088 31.2423 177.9110 6 L 5.0040 7.9301 117.6770 55.8570 41.5910 177.5849 7 D 4.4555 7.9342 118.2665 55.8728 41.3283 177.7222 8 V 3.8488 7.4647 117.7622 64.1019 32.3744 175.9503 9 I 4.3536 7.8683 120.9050 58.2787 40.3317 175.3630 10 S 4.5356 8.2800 120.4400 57.8559 64.9796 174.8052 11 L 4.1005 8.5597 125.0603 58.6630 41.8200 179.5601 12 S 4.1544 8.0651 113.5202 61.4520 62.8434 176.3210 13 L 3.8719 7.8553 122.5241 57.5283 41.0810 179.2847 14 F 3.8048 7.9771 117.6465 60.6144 38.7056 177.9743 15 K 4.2321 8.3683 117.9860 59.5273 31.8490 179.5277 16 Q 4.0499 8.1824 118.5584 58.6618 28.3644 178.0617 17 Q 4.0419 8.0238 120.3615 58.9619 29.0900 178.0741 18 I 4.2388 7.2943 108.8456 59.3824 38.6078 175.1791 19 E 3.7644 7.7655 118.4085 57.8761 27.5160 174.7417 20 F 4.8007 8.5184 119.5608 56.6159 41.2134 174.6758 21 E 4.2298 7.9551 126.9478 57.8892 30.3556 176.8263 22 E 4.0959 6.8435 116.5369 56.5538 30.0506 175.9754 23 D 5.1221 8.5726 119.6366 54.4059 41.2560 176.5982 24 D 5.0209 8.2607 116.2938 53.2755 39.7203 176.2690 25 R 4.7649 7.8768 116.5646 55.9902 31.9320 177.0112 26 D 4.4099 8.4479 121.0464 57.5436 40.7292 178.3230 27 E 3.9000 8.0704 118.5017 59.2265 29.5987 178.9384 28 L 3.6330 7.7138 119.7165 58.2139 42.1737 178.8250 29 I 3.8252 7.9354 120.0395 64.8056 36.9565 178.5962 30 T 3.7253 8.0240 116.5872 66.2616 68.1795 176.4354 31 L 3.9098 7.8817 122.2758 58.4219 42.1116 178.6038 32 Y 4.4286 7.8177 116.3339 61.1930 37.7526 178.6399 33 A 3.7117 8.2901 121.6622 55.1554 18.2553 179.7008 34 Q 4.0316 8.4601 116.7681 59.0397 28.7091 178.9741 35 A 4.0769 8.6206 121.9902 55.0846 18.4139 179.4572 36 A 4.1034 8.6317 119.7701 55.3581 18.2978 179.6378 37 F 4.3255 8.3982 117.8811 61.5594 39.6117 176.2224 38 D 4.4304 8.3666 116.6744 57.6336 41.2827 177.3443 39 Y 4.3450 8.4350 120.0307 60.9626 38.7429 179.0986 40 C 4.3630 8.3108 116.4821 60.1512 27.9036 176.0374 *42 R 4.1660 7.9790 121.3049 56.1021 31.7785 177.8561 43 W 3.9989 8.0313 126.2526 60.6082 31.0222 176.9802 44 C 4.3265 8.8562 116.3949 61.1716 28.0363 173.4962 45 D 4.2217 7.1512 117.5969 55.1833 39.6093 174.2772 46 E 3.9860 7.1447 119.7850 53.6030 29.3972 173.9890 47 P 4.2539 0.0000 0.0000 64.6566 31.6418 177.9691 48 A 4.0659 7.8224 120.2007 53.5241 18.2954 177.9307 49 W 5.0249 7.4491 116.1126 55.6177 27.9341 175.9694 50 K 4.3050 9.6069 123.6741 57.6820 32.4419 177.6161 51 V 4.5618 7.6343 109.6026 58.7179 35.7263 176.0554 52 A 3.9063 8.8476 123.1641 55.6885 17.9226 179.8965 53 A 4.1493 7.8536 115.5688 54.3388 18.6091 178.2919 54 D 4.4087 7.9702 115.5266 56.5343 41.1329 176.9986 55 I 2.8971 7.2093 120.8071 59.9369 37.4230 174.9374 56 P 4.2807 0.0000 0.0000 61.8779 33.2907 177.2959 57 A 3.9320 8.4288 121.6872 55.3081 18.3324 180.1497 58 A 3.9898 7.9068 118.9377 55.2442 18.4399 179.9057 59 V 3.6068 7.6159 116.4241 65.8810 31.6897 178.0780 60 K 3.9870 7.9967 118.4555 59.4620 32.0255 179.3081 61 G 3.6392 8.1875 105.5116 47.8091 0.0000 175.4506 62 A 4.0362 7.9630 123.5133 54.8050 18.3187 179.7327 63 V 3.7324 8.2097 117.0457 66.4030 31.5978 178.2103 64 L 4.2238 8.1588 118.5599 57.8800 41.4989 179.6228 65 L 4.0594 7.9765 118.5388 57.7546 41.3683 179.7292 66 V 3.5543 7.8612 117.1697 65.8263 31.5724 177.3851 67 F 4.2980 8.4835 119.3264 61.5301 39.5782 176.7513 68 A 3.7996 8.3680 120.2413 54.6889 18.0718 179.4345 69 D 4.3068 7.7090 113.5480 55.1178 40.8469 177.6714 *71 F 3.9410 7.9756 121.2657 57.2490 40.9203 175.7331 72 E 3.9299 7.9349 118.4993 57.6572 29.6271 175.8173 73 H 4.7064 8.0699 115.4793 54.1266 29.4528 173.4714 74 R 4.2126 8.3254 123.3040 56.3917 30.8688 176.9985 75 T 4.6101 7.4304 106.8974 59.3034 71.2062 174.2680 76 A 4.1222 8.5058 125.6339 54.1575 18.8560 177.8287 77 Q 4.6569 7.8269 113.7054 53.9682 32.1366 174.6850 78 S 4.7922 8.2034 114.6036 56.4278 66.0267 173.9799 79 E 4.1921 8.6307 119.4976 57.4995 29.7645 177.2860 80 V 4.3959 7.2638 111.9200 58.7679 34.3798 175.2368 81 Q 3.8346 8.5495 125.2236 56.1739 29.4764 175.3287 82 L 4.4498 7.8256 124.0281 53.1384 43.6944 175.3491 83 Y 4.6735 7.9526 118.9321 55.6279 40.4874 175.4482 84 E 3.8931 8.8043 125.2512 56.2231 30.2862 175.6081 85 N 4.5920 8.7289 124.8418 52.4193 39.0936 175.2542 86 A 4.0537 8.6534 128.6212 54.7955 18.1595 178.5326 87 A 3.9371 8.2075 118.8997 55.2696 18.4102 179.3578 88 A 4.0493 7.5134 118.1260 55.4575 18.6164 179.2131 89 E 3.6714 7.9352 115.7495 58.5931 31.2242 178.1640 90 R 4.2730 7.6932 119.2669 56.2842 27.8500 176.3753 *93 F 5.0660 7.9433 123.0654 58.2023 41.4848 176.3161 94 I 4.0665 7.7843 118.4703 62.9973 37.7772 175.3487 95 H 5.0719 7.9078 115.8755 56.1066 30.1602 173.4385 96 R 4.1189 7.7485 118.6724 56.1232 30.6317 175.7602 97 N 4.3819 8.2327 120.2967 53.6097 38.9171 174.3112 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 A 8.26 4.39 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 3 I 8.26 4.10 2.29 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 1.42 0.89 0.99 0.00 0.00 4 D 8.41 4.61 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 2.69 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 0.83 0.00 0.00 0.90 0.00 0.00 6 L 7.93 5.00 0.00 1.64 1.76 0.90 1.00 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 7 D 7.93 4.46 0.00 2.76 2.67 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 8 V 7.46 3.85 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 0.69 0.00 0.00 0.63 0.00 0.00 9 I 7.87 4.35 1.16 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.43 -0.07 0.00 0.00 10 S 8.28 4.54 0.00 4.01 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 11 L 8.56 4.10 0.00 1.81 1.74 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.07 4.15 0.00 4.09 4.11 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 13 L 7.86 3.87 0.00 1.64 1.48 0.76 1.07 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 14 F 7.98 3.80 0.00 2.98 2.36 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 15 K 8.37 4.23 0.00 2.03 2.17 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.66 1.59 7.81 16 Q 8.18 4.05 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 17 Q 8.02 4.04 0.00 2.04 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.07 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 18 I 7.29 4.24 1.42 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.89 0.77 0.00 0.00 19 E 7.77 3.76 0.00 2.17 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 0.00 2.40 2.40 0.00 20 F 8.52 4.80 0.00 2.67 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 21 E 7.96 4.23 0.00 1.76 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 2.14 2.17 0.00 22 E 6.84 4.10 0.00 1.57 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 0.00 2.23 2.23 0.00 23 D 8.57 5.12 0.00 2.64 2.67 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 24 D 8.26 5.02 0.00 2.80 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 25 R 7.88 4.76 0.00 2.05 1.91 0.00 3.32 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 26 D 8.45 4.41 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 3.90 0.00 1.98 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 2.37 2.35 0.00 28 L 7.71 3.63 0.00 1.59 1.62 0.63 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.94 3.83 1.98 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.47 1.07 0.00 0.00 30 T 8.02 3.73 4.34 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 1.16 0.00 0.00 31 L 7.88 3.91 0.00 1.75 1.60 0.87 0.87 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 32 Y 7.82 4.43 0.00 3.34 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 33 A 8.29 3.71 0.24 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 34 Q 8.46 4.03 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 35 A 8.62 4.08 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 36 A 8.63 4.10 1.65 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 37 F 8.40 4.33 0.00 3.11 3.21 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 38 D 8.37 4.43 0.00 2.88 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 39 Y 8.44 4.34 0.00 3.24 3.24 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 40 C 8.31 4.36 0.00 3.10 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 *42 R 7.98 4.17 0.00 2.04 1.95 0.00 3.40 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 43 W 8.03 4.00 0.00 2.90 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 44 C 8.86 4.33 0.00 3.29 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 45 D 7.15 4.22 0.00 2.87 2.49 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 46 E 7.14 3.99 0.00 1.16 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 1.47 1.47 0.00 47 P 0.00 4.25 0.00 1.99 2.03 0.00 3.52 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 48 A 7.82 4.07 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 W 7.45 5.02 0.00 3.40 3.05 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 0.00 0.00 0.00 0.00 50 K 9.61 4.30 0.00 1.88 1.91 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 51 V 7.63 4.56 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 0.80 0.00 0.00 0.95 0.00 0.00 52 A 8.85 3.91 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 53 A 7.85 4.15 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 54 D 7.97 4.41 0.00 2.92 2.84 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 55 I 7.21 2.90 1.70 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 1.46 0.85 0.70 0.00 0.00 56 P 0.00 4.28 0.00 1.76 1.74 0.00 2.58 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 57 A 8.43 3.93 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 58 A 7.91 3.99 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 59 V 7.62 3.61 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 1.17 0.00 0.00 0.99 0.00 0.00 60 K 8.00 3.99 0.00 1.99 1.76 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.53 7.81 61 G 8.19 3.64 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 0.00 0.00 0.00 62 A 7.96 4.04 1.41 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 0.00 0.00 63 V 8.21 3.73 2.39 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 1.48 0.00 0.00 1.29 0.00 0.00 64 L 8.16 4.22 0.00 1.95 1.78 0.81 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.98 4.06 0.00 1.93 1.74 0.94 0.62 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 66 V 7.86 3.55 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 0.74 0.00 0.00 0.97 0.00 0.00 67 F 8.48 4.30 0.00 3.21 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.80 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 69 D 7.71 4.31 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.98 3.94 0.00 2.41 2.84 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 72 E 7.93 3.93 0.00 1.59 1.72 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 2.52 2.37 0.00 73 H 8.07 4.71 0.00 3.01 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.33 4.21 0.00 1.71 1.90 0.00 3.23 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 75 T 7.43 4.61 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 1.17 0.00 0.00 76 A 8.51 4.12 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 77 Q 7.83 4.66 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 78 S 8.20 4.79 0.00 3.86 3.72 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 79 E 8.63 4.19 0.00 1.96 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 2.28 2.30 0.00 80 V 7.26 4.40 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 0.71 0.00 0.00 0.89 0.00 0.00 81 Q 8.55 3.83 0.00 1.83 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 1.85 1.51 0.00 82 L 7.83 4.45 0.00 1.46 1.38 0.72 0.50 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 83 Y 7.95 4.67 0.00 2.96 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 84 E 8.80 3.89 0.00 1.95 1.90 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 2.31 2.30 0.00 85 N 8.73 4.59 0.00 2.86 2.71 0.00 0.00 7.09 7.71 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 86 A 8.65 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 87 A 8.21 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 88 A 7.51 4.05 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 89 E 7.94 3.67 0.00 1.88 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 2.18 2.47 0.00 90 R 7.69 4.27 0.00 1.96 1.92 0.00 3.21 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 *93 F 7.94 5.07 0.00 3.72 3.27 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 94 I 7.78 4.07 2.19 0.00 0.00 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 1.35 0.84 0.95 0.00 0.00 95 H 7.91 5.07 0.00 3.40 3.71 0.00 5.95 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.75 4.12 0.00 1.82 1.53 0.00 2.91 0.00 0.00 2.84 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.18 0.00 97 N 8.23 4.38 0.00 2.59 2.63 0.00 0.00 6.99 7.15 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 * Residues marked with a * may have inaccurate shift predictions.