NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.2725 0.0000 0.0000 62.3204 33.2915 177.1751 7 D 4.4613 7.8723 120.0285 52.1744 40.6912 173.9743 8 K 4.0490 9.1435 129.3879 59.3882 32.6658 177.9561 9 T 3.8939 7.9201 114.9938 66.7367 68.5369 175.5516 10 Y 4.1026 7.9604 119.9736 60.6220 39.1169 177.4508 11 E 4.2329 8.2856 119.2367 59.3296 29.4940 180.1351 12 E 3.8052 7.9910 116.5685 56.7888 29.4193 179.1899 *14 V 3.8587 7.7838 120.7029 62.9367 33.6190 177.7120 15 K 3.9810 8.0643 119.1100 59.4377 31.7828 178.9205 16 E 3.9670 8.4650 120.0264 59.3272 29.4803 179.0812 17 V 3.5296 7.6291 117.8165 65.7755 31.5534 177.5448 18 E 3.9054 7.8180 119.1550 59.2264 29.5063 178.8225 19 R 3.9034 8.3560 118.5124 59.4857 30.1058 179.0441 20 L 3.9933 8.1678 118.7927 57.5814 41.4665 179.8487 21 K 3.9382 8.0582 118.3789 59.4755 32.0709 178.9850 22 L 3.9417 8.1131 119.4619 58.0535 41.6323 179.2353 23 E 3.9261 8.3335 118.7083 59.6215 29.7692 178.8035 24 N 4.6117 8.4888 116.4878 56.0666 38.4263 177.5433 25 K 4.0763 8.2500 120.3812 59.3990 32.2196 179.5672 26 T 3.9047 7.9470 116.2297 66.6149 68.3335 176.8883 27 L 4.0420 8.4978 121.2879 57.6653 41.5741 179.7491 28 K 3.9706 8.0430 118.3564 59.1526 31.8717 178.9968 29 Q 3.9568 7.8645 119.6577 59.3970 28.9936 178.9017 30 K 4.0044 7.9695 119.1480 59.4024 31.6830 179.5616 31 V 3.7896 7.9505 120.0490 65.1653 31.1236 178.3751 32 K 4.0282 7.9918 117.5124 59.6369 32.1508 178.9804 33 S 4.1928 8.1834 114.5769 60.7889 63.3403 175.2033 34 S 4.2454 8.2681 116.7209 58.8185 63.3777 174.3898 35 G 3.8076 8.3907 109.1483 46.0112 0.0000 173.7016 36 A 4.6149 7.3764 116.5144 51.4966 19.6292 179.4007 37 V 4.2039 7.4072 120.4294 60.5119 33.0236 174.7325 38 S 3.9704 8.6473 119.3759 58.7206 62.5531 175.2615 39 S 4.2653 8.8306 121.9070 61.4472 62.2739 174.8592 40 D 4.3612 7.7454 118.2034 56.1878 41.1934 174.9340 41 D 4.8879 7.7789 118.4152 53.5183 43.4342 174.5559 42 S 4.5653 9.8508 110.4798 57.5924 65.5366 174.9475 43 I 4.1312 8.1449 126.3300 60.2533 37.8299 176.0615 44 L 4.1078 8.3731 125.5172 54.9045 42.1776 177.7182 45 T 4.3367 8.2905 113.7012 60.6837 71.4256 175.7753 46 A 3.9359 8.4271 123.7831 55.5038 18.6346 180.0373 47 A 3.9178 7.9476 118.7717 55.0394 18.4764 179.6833 48 K 3.8745 7.9938 117.9884 59.5595 32.2407 179.0437 49 R 3.8449 8.2543 119.3608 59.5304 30.0323 178.0536 50 E 3.8998 8.4093 119.2383 59.3107 29.6557 178.7854 51 S 4.1029 8.0328 113.0691 61.2794 62.3849 176.2908 52 I 3.7358 7.7447 122.5125 64.3459 36.8371 178.4304 53 I 3.6728 7.9761 120.9179 64.3827 36.8812 178.6995 54 V 3.5610 7.8745 118.9831 66.0853 31.4048 177.9165 55 S 4.0809 7.9611 112.6286 61.6159 62.1999 176.3928 56 S 4.1843 8.3752 118.0003 61.5689 62.5049 176.8197 57 S 4.1586 8.4712 118.3662 61.6794 62.5711 176.9753 58 R 3.9019 8.4340 120.9355 59.0039 29.5966 179.0281 59 A 4.0053 7.7869 120.3379 55.1769 18.3308 179.7446 60 L 4.0631 8.1329 117.7329 57.6008 41.4140 179.8815 61 G 3.6045 8.1703 105.1238 47.8819 0.0000 175.2467 62 A 4.1393 7.8077 122.2028 54.6885 18.6033 179.7150 63 V 3.7151 7.5313 116.6969 65.8683 31.6107 179.6074 64 A 3.8640 8.0343 119.8910 52.0859 18.2302 179.4170 *66 R 4.1572 7.9668 121.5949 58.0014 32.2386 177.6996 67 K 4.0023 7.9708 117.1131 59.4435 31.9105 179.4435 68 I 3.6928 8.1335 120.4594 64.3442 37.0763 177.9445 69 E 3.8911 8.2306 119.3801 59.2459 29.4499 178.3854 70 A 3.9788 7.7819 120.2277 55.4266 18.3905 179.8858 71 K 3.9898 7.9642 116.3737 59.3192 32.0831 179.9580 72 V 3.5699 7.9239 118.8263 65.9235 31.2498 178.1879 73 R 3.9028 8.2805 117.0603 59.3701 30.0968 178.6285 74 S 4.2356 8.1437 112.6825 61.5908 61.9620 176.4997 75 R 3.9408 8.2749 120.6905 59.0563 29.3270 178.4832 76 A 4.1657 8.6811 119.4961 53.7133 18.1299 179.2527 77 A 4.0063 7.4555 119.3414 54.9748 18.5253 179.1381 78 K 4.0123 7.6933 115.0337 58.5360 32.4957 177.4320 79 A 4.6541 7.3280 120.5961 51.5227 19.3798 177.4316 80 V 4.4347 8.8876 112.4661 60.1087 34.0601 176.2956 81 T 4.7392 7.5622 109.6646 58.9763 72.8509 174.6082 82 E 3.9184 8.5231 120.7291 59.9189 29.6171 179.4594 83 Q 3.9890 8.1605 117.4026 59.1854 28.7002 179.1369 84 E 3.9198 8.1708 119.3333 59.3697 29.5330 179.1160 85 L 3.9604 7.9601 120.3478 58.3153 42.0197 179.1409 86 T 3.8246 8.1837 115.9387 66.7948 68.1615 176.5568 87 S 4.0617 7.9941 114.9799 61.2042 62.1199 175.9844 88 L 3.8558 7.8406 122.1927 58.2669 42.2298 178.7344 89 L 4.1338 8.3566 119.3979 57.5909 41.2951 178.9979 90 Q 4.0072 8.2014 119.5064 58.7974 29.0406 177.8783 91 S 4.5622 7.2787 111.4651 57.0226 63.9500 174.1117 92 L 4.0336 7.2864 125.5756 55.8469 42.3154 176.3444 93 T 4.6326 8.3018 121.3138 61.9299 72.0662 173.1551 94 L 4.8676 8.4619 125.2788 52.7034 45.0617 175.6316 95 R 4.6385 8.3527 120.0745 54.4350 32.6353 175.0606 96 V 4.4557 8.2173 123.1667 61.0949 34.5301 174.0123 97 D 5.0740 8.5593 125.8522 52.7659 43.0541 176.1584 98 V 5.4411 7.8123 113.9611 60.2665 36.8544 173.9055 99 S 4.4223 8.1185 121.5474 58.0483 64.1103 176.3448 *101 E 4.2604 8.9617 125.4142 57.4013 31.2334 175.3520 102 E 4.1451 8.1078 122.4209 56.6162 29.4557 176.5692 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 6 P 0.00 4.27 0.00 2.05 2.14 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 7 D 7.87 4.46 0.00 2.76 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 8 K 9.14 4.05 0.00 1.88 1.80 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.54 7.81 9 T 7.92 3.89 4.43 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 1.23 0.00 0.00 10 Y 7.96 4.10 0.00 3.14 3.14 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 0.00 0.00 0.00 0.00 11 E 8.29 4.23 0.00 2.31 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 2.42 2.63 0.00 12 E 7.99 3.81 0.00 2.17 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 2.33 2.68 0.00 *14 V 7.78 3.86 2.15 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 0.97 0.00 0.00 0.78 0.00 0.00 15 K 8.06 3.98 0.00 2.00 1.82 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 16 E 8.47 3.97 0.00 2.16 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 2.28 2.34 0.00 17 V 7.63 3.53 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 0.95 0.00 0.00 0.86 0.00 0.00 18 E 7.82 3.91 0.00 2.07 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 0.00 2.29 2.38 0.00 19 R 8.36 3.90 0.00 2.00 1.96 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 20 L 8.17 3.99 0.00 1.85 1.70 0.94 1.43 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 21 K 8.06 3.94 0.00 2.04 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 22 L 8.11 3.94 0.00 1.84 1.72 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.33 3.93 0.00 2.03 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 2.30 2.35 0.00 24 N 8.49 4.61 0.00 2.92 2.85 0.00 0.00 7.10 7.48 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 25 K 8.25 4.08 0.00 2.06 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 26 T 7.95 3.90 4.42 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 1.21 0.00 0.00 27 L 8.50 4.04 0.00 1.63 1.71 0.93 1.03 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 28 K 8.04 3.97 0.00 1.83 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.52 7.81 29 Q 7.86 3.96 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 30 K 7.97 4.00 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.61 7.81 31 V 7.95 3.79 2.29 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 1.17 0.00 0.00 0.98 0.00 0.00 32 K 7.99 4.03 0.00 1.94 1.84 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.47 7.81 33 S 8.18 4.19 0.00 3.93 3.91 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 34 S 8.27 4.25 0.00 3.94 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 35 G 8.39 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 0.00 0.00 0.00 36 A 7.38 4.61 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 37 V 7.41 4.20 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 0.76 0.00 0.00 0.93 0.00 0.00 38 S 8.65 3.97 0.00 3.87 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 39 S 8.83 4.27 0.00 3.86 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 40 D 7.75 4.36 0.00 2.69 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 41 D 7.78 4.89 0.00 2.61 2.66 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 0.00 0.00 0.00 0.00 42 S 9.85 4.57 0.00 3.82 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 43 I 8.14 4.13 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.54 0.91 0.00 0.00 44 L 8.37 4.11 0.00 1.61 1.61 0.92 0.90 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 45 T 8.29 4.34 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 46 A 8.43 3.94 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 47 A 7.95 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 48 K 7.99 3.87 0.00 1.92 1.98 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 49 R 8.25 3.84 0.00 1.95 2.11 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 50 E 8.41 3.90 0.00 2.19 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 2.31 2.36 0.00 51 S 8.03 4.10 0.00 3.97 4.09 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 52 I 7.74 3.74 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.59 0.91 0.00 0.00 53 I 7.98 3.67 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.91 0.00 0.00 54 V 7.87 3.56 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 1.08 0.00 0.00 0.98 0.00 0.00 55 S 7.96 4.08 0.00 4.02 4.03 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 56 S 8.38 4.18 0.00 3.90 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 57 S 8.47 4.16 0.00 4.00 3.91 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 58 R 8.43 3.90 0.00 1.98 1.98 0.00 3.12 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 59 A 7.79 4.01 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 60 L 8.13 4.06 0.00 1.86 1.73 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.17 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.14 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 63 V 7.53 3.72 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 1.05 0.00 0.00 1.02 0.00 0.00 64 A 8.03 3.86 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 *66 R 7.97 4.16 0.00 1.88 2.18 0.00 3.19 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 67 K 7.97 4.00 0.00 1.99 1.84 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.72 7.81 68 I 8.13 3.69 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.91 0.00 0.00 69 E 8.23 3.89 0.00 2.03 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 2.38 2.39 0.00 70 A 7.78 3.98 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 71 K 7.96 3.99 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 72 V 7.92 3.57 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 0.87 0.00 0.00 0.96 0.00 0.00 73 R 8.28 3.90 0.00 2.02 1.99 0.00 3.22 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 1.67 1.76 0.00 74 S 8.14 4.24 0.00 3.90 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 75 R 8.27 3.94 0.00 2.08 1.96 0.00 3.22 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 76 A 8.68 4.17 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 77 A 7.46 4.01 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 78 K 7.69 4.01 0.00 1.76 1.88 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.43 7.81 79 A 7.33 4.65 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 80 V 8.89 4.43 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 0.76 0.00 0.00 0.95 0.00 0.00 81 T 7.56 4.74 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 82 E 8.52 3.92 0.00 2.03 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 2.40 2.40 0.00 83 Q 8.16 3.99 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 84 E 8.17 3.92 0.00 2.18 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 2.33 2.31 0.00 85 L 7.96 3.96 0.00 1.87 1.79 0.92 0.67 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 86 T 8.18 3.82 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 87 S 7.99 4.06 0.00 3.91 4.06 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 88 L 7.84 3.86 0.00 1.88 1.89 0.96 0.96 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 89 L 8.36 4.13 0.00 1.70 1.70 0.92 0.68 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 90 Q 8.20 4.01 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 91 S 7.28 4.56 0.00 4.10 3.95 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 92 L 7.29 4.03 0.00 1.77 1.77 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.30 4.63 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 94 L 8.46 4.87 0.00 1.58 1.53 0.92 0.87 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 95 R 8.35 4.64 0.00 1.72 1.76 0.00 3.18 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 96 V 8.22 4.46 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 0.90 0.00 0.00 0.93 0.00 0.00 97 D 8.56 5.07 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 5.44 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 0.66 0.00 0.00 0.93 0.00 0.00 99 S 8.12 4.42 0.00 3.81 3.23 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 *101 E 8.96 4.26 0.00 1.98 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 2.21 2.34 0.00 102 E 8.11 4.15 0.00 2.15 1.85 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 2.33 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.