NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4805 0.0000 0.0000 63.0746 32.3549 175.5608 5 H 5.1403 7.6607 114.8950 54.0044 33.0075 173.7300 6 L 4.5569 8.8808 122.8981 54.8777 43.0277 176.4716 7 S 4.7004 9.0392 117.6438 56.0371 66.3612 173.2734 8 S 4.0688 8.3582 114.5906 59.9896 62.2448 174.3321 9 G 3.9166 8.8988 115.3310 45.3126 0.0000 172.9579 10 E 4.5233 7.5328 118.5866 54.9202 31.1354 175.5852 11 V 4.4513 8.0661 119.0718 60.9811 34.4738 174.6803 12 A 4.7611 8.3644 127.6610 50.2562 21.8812 175.2066 13 S 4.6185 8.5848 115.6466 57.3719 63.3072 174.6043 14 V 4.4260 8.1065 121.2653 60.9136 32.0780 176.1209 15 L 4.1817 7.4077 118.9847 53.8689 42.0459 175.6553 16 P 4.4526 0.0000 0.0000 63.1998 31.9725 177.0531 17 L 4.1520 9.7727 122.8671 55.7108 43.1700 179.2094 18 G 3.7858 8.3797 107.0434 46.1329 0.0000 177.7742 19 K 3.9888 8.8826 124.0694 59.1853 32.5120 177.5002 20 Q 4.5299 8.0095 117.0988 55.7580 29.5342 177.3906 21 L 3.9461 8.2320 121.7751 58.3119 42.1173 179.1317 22 T 4.0291 7.8888 106.4047 63.7498 68.8061 174.6267 23 Q 4.3553 8.0210 120.3335 55.9416 29.5017 174.7785 24 T 4.6156 7.5002 115.8341 60.9548 69.4682 172.9082 25 P 4.5720 0.0000 0.0000 61.8563 32.4995 176.1550 26 S 4.5391 8.3047 114.9566 59.3479 63.3466 173.6881 27 A 4.7368 8.7039 123.2461 50.5563 22.4126 175.8588 28 A 4.0550 8.4776 122.5982 51.7410 18.9581 178.0343 29 L 4.1003 9.2070 123.8042 57.2574 42.2270 177.2572 30 F 4.8429 6.8465 110.0473 55.9284 39.9353 172.5635 31 K 4.8130 8.7724 122.5708 54.7546 34.6306 174.9879 32 E 4.9005 9.3760 123.5217 54.2746 32.9872 175.6898 33 H 4.1180 9.0870 117.7401 58.9836 29.7351 175.6723 34 R 4.6510 8.5155 115.6347 55.6827 31.2068 174.9228 35 L 5.0289 7.6140 119.4468 53.9720 46.2360 173.3020 36 E 4.8676 9.1113 123.4616 54.4820 32.8943 174.7197 37 V 4.7386 7.5691 121.9744 59.8826 35.6352 174.3232 *39 R 4.7170 8.1239 123.8025 56.2523 31.9638 173.5274 *41 V 4.2076 8.1179 118.4747 62.7999 32.4072 174.6039 42 L 4.8978 8.8729 128.5764 52.0728 44.5698 174.6868 43 P 4.8345 0.0000 0.0000 61.9306 33.0436 175.6258 44 A 4.2256 8.2276 123.6275 53.6099 18.5596 178.1136 45 G 4.0061 9.1912 112.0183 44.8968 0.0000 173.9907 46 K 4.0296 7.9657 121.9230 56.9656 33.0375 175.6639 47 Q 5.2062 8.6932 125.4324 54.0698 32.0317 174.9224 48 V 4.3279 8.5854 122.5366 60.7357 34.2693 175.5607 49 G 4.0493 8.7474 114.9742 45.6934 0.0000 172.7085 50 S 4.5975 8.4766 115.3158 59.0769 62.8078 172.7919 51 H 4.8994 8.8479 121.5139 55.2907 32.2451 172.0270 52 S 4.9850 8.3634 112.3029 57.3259 66.1660 173.3949 53 V 4.6024 8.1638 111.8847 59.3200 34.8493 177.1898 54 A 3.9067 8.9286 125.8668 54.4836 18.5214 178.0253 55 G 4.4887 7.9543 102.6365 43.0670 0.0000 171.5634 56 P 4.8835 0.0000 0.0000 63.0039 32.9888 175.2263 57 S 5.2588 9.0917 114.7021 57.5872 67.0182 172.8305 58 T 5.1712 9.0953 110.3353 59.9974 72.2599 172.7713 59 I 4.8572 8.6411 124.5958 59.6432 40.3861 174.0209 60 Q 4.9869 9.0760 129.3192 54.2957 31.4056 173.9283 61 C 4.6652 9.0528 128.2384 59.0667 31.6512 173.8047 62 L 4.2822 8.8007 128.3064 57.3538 42.3195 176.9750 63 E 4.4921 8.3319 114.2064 56.8604 32.3981 177.1010 64 G 3.9775 8.9054 107.4554 45.5175 0.0000 171.9299 65 E 4.9458 8.4881 119.5952 54.5205 33.4901 176.2281 66 V 4.8756 8.5974 125.2136 59.9935 35.4361 173.5489 67 E 4.9863 9.3044 124.9224 54.7706 31.6891 174.4037 68 I 5.1927 8.3790 128.0679 58.5744 39.9379 175.0571 69 G 4.1325 8.7697 115.5274 45.4112 0.0000 172.5242 70 V 5.0417 8.8857 116.7487 58.8977 36.9864 174.4766 71 D 4.4433 8.6638 121.3629 56.5622 40.4692 177.5101 72 G 3.8912 10.5388 112.2491 45.3193 0.0000 171.8131 73 A 4.4154 7.8418 121.0457 51.1165 22.0742 175.2243 74 Q 4.8119 8.4204 120.2170 54.5150 31.8222 174.2409 75 R 4.6821 8.9188 127.2592 55.0222 31.9099 175.7693 76 R 4.7873 8.6159 125.2279 55.1283 30.9521 175.1523 77 L 4.8215 8.9970 127.8564 54.0284 43.9035 175.9841 78 H 5.2227 9.3803 119.9573 53.2258 32.8096 173.1591 79 Q 4.2259 8.6519 119.9873 58.3711 28.8653 176.9311 80 G 4.0038 8.9842 113.7604 45.2176 0.0000 173.1551 81 D 4.5915 8.1310 120.9460 53.9646 42.1413 175.0535 82 L 5.0373 8.5283 124.8518 53.2414 44.4026 174.8461 83 L 4.6982 9.1347 129.2202 53.6623 44.2035 174.1113 84 Y 5.2900 8.6070 127.0602 56.0729 40.6038 174.3775 85 L 4.3166 8.6549 126.5864 52.4081 44.7371 176.6890 86 G 3.8706 7.9812 110.9631 45.2628 0.0000 172.2001 87 A 4.3858 7.9093 122.5993 53.0004 18.4823 178.3077 88 G 3.7708 9.1399 111.1195 45.4504 0.0000 173.1777 89 A 4.1585 7.8817 121.9547 51.2873 18.5054 178.0620 90 A 4.4492 8.5648 125.1286 53.0027 19.4013 176.1322 91 H 5.6610 9.1025 115.3972 55.2513 32.5329 172.1347 92 D 5.3916 8.6496 118.3648 51.6339 43.4890 174.2671 93 V 4.8379 8.5765 118.1640 61.2696 35.2021 174.0948 94 N 5.2787 9.3673 124.2064 51.2279 42.4053 173.5883 95 A 4.3253 9.0001 127.9044 52.2182 18.8338 178.0017 96 I 3.8537 8.6858 124.9548 64.1809 38.1283 176.1160 97 T 4.7270 7.5501 109.9823 59.0215 72.4603 172.6899 98 N 4.6364 8.5817 118.1983 54.4351 39.4777 174.4595 99 T 4.8782 9.0386 117.0651 60.6704 71.8476 172.2930 100 S 5.0746 8.4827 118.7770 56.4753 66.5124 172.7831 101 L 5.1963 8.4188 121.5077 52.8727 45.7055 174.9274 102 L 4.6723 8.9910 125.7909 53.7606 43.4639 175.1142 103 V 4.8132 8.3364 126.5303 61.4733 34.1026 173.9744 104 T 4.8584 8.9358 125.2961 61.7233 71.2316 173.4061 105 V 4.5790 8.6806 126.6752 60.8675 34.5422 174.5561 106 V 4.2870 8.7108 128.6759 62.6589 32.7159 174.4343 107 L 4.8625 8.5536 128.0302 53.0243 43.5944 177.1478 108 V 3.9628 8.2836 115.5161 61.5040 31.9361 175.6148 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 4 P 0.00 4.48 0.00 2.24 2.20 0.00 3.63 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 2.01 0.00 5 H 7.66 5.14 0.00 3.06 3.29 0.00 5.89 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 6 L 8.88 4.56 0.00 1.52 1.56 1.04 1.02 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 7 S 9.04 4.70 0.00 3.84 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 8 S 8.36 4.07 0.00 3.76 3.76 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 9 G 8.90 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 10 E 7.53 4.52 0.00 2.11 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 2.27 2.20 0.00 11 V 8.07 4.45 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 0.83 0.00 0.00 0.93 0.00 0.00 12 A 8.36 4.76 1.25 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 0.00 0.00 0.00 13 S 8.58 4.62 0.00 3.85 3.78 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 14 V 8.11 4.43 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 0.81 0.00 0.00 0.94 0.00 0.00 15 L 7.41 4.18 0.00 1.63 1.61 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.45 0.00 2.04 2.10 0.00 3.68 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 2.04 2.32 0.00 17 L 9.77 4.15 0.00 1.74 1.78 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.38 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 0.00 0.00 0.00 19 K 8.88 3.99 0.00 1.88 1.97 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 20 Q 8.01 4.53 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 21 L 8.23 3.95 0.00 1.80 1.67 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.89 4.03 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 23 Q 8.02 4.36 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 24 T 7.50 4.62 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 25 P 0.00 4.57 0.00 2.18 2.05 0.00 3.78 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 1.99 1.98 0.00 26 S 8.30 4.54 0.00 3.77 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 27 A 8.70 4.74 1.17 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 0.00 0.00 0.00 0.00 0.00 28 A 8.48 4.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.21 4.10 0.00 1.79 1.89 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 30 F 6.85 4.84 0.00 3.22 3.16 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 0.00 31 K 8.77 4.81 0.00 1.67 1.74 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.38 7.81 32 E 9.38 4.90 0.00 2.17 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 0.00 2.43 2.64 0.00 33 H 9.09 4.12 0.00 3.12 3.45 0.00 5.88 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.52 4.65 0.00 2.05 1.92 0.00 3.21 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 35 L 7.61 5.03 0.00 1.78 1.67 1.03 1.09 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 36 E 9.11 4.87 0.00 1.87 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 2.11 2.12 0.00 37 V 7.57 4.74 1.05 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 1.06 0.00 0.00 0.64 0.00 0.00 *39 R 8.12 4.72 0.00 1.95 1.85 0.00 3.30 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 *41 V 8.12 4.21 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 0.92 0.00 0.00 0.95 0.00 0.00 42 L 8.87 4.90 0.00 1.55 1.52 0.92 0.74 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 43 P 0.00 4.83 0.00 2.11 2.17 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 44 A 8.23 4.23 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 45 G 9.19 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 46 K 7.97 4.03 0.00 1.95 1.80 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.47 7.81 47 Q 8.69 5.21 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.46 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 48 V 8.59 4.33 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 0.87 0.00 0.00 0.92 0.00 0.00 49 G 8.75 4.05 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 0.00 0.00 0.00 50 S 8.48 4.60 0.00 3.88 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 51 H 8.85 4.90 0.00 3.18 3.31 0.00 5.30 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.36 4.98 0.00 3.75 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 53 V 8.16 4.60 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 0.81 0.00 0.00 1.01 0.00 0.00 54 A 8.93 3.91 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 55 G 7.95 4.49 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 0.00 0.00 0.00 56 P 0.00 4.88 0.00 2.33 2.33 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 57 S 9.09 5.26 0.00 3.96 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 58 T 9.10 5.17 4.28 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 1.30 0.00 0.00 59 I 8.64 4.86 1.86 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 1.10 0.60 0.91 0.00 0.00 60 Q 9.08 4.99 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 61 C 9.05 4.67 0.00 3.03 2.98 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 62 L 8.80 4.28 0.00 1.68 1.71 0.95 0.76 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 63 E 8.33 4.49 0.00 1.99 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 2.21 2.26 0.00 64 G 8.91 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 0.00 0.00 0.00 65 E 8.49 4.95 0.00 1.93 1.68 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 2.10 2.12 0.00 66 V 8.60 4.88 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 0.74 0.00 0.00 0.96 0.00 0.00 67 E 9.30 4.99 0.00 2.01 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 2.22 2.26 0.00 68 I 8.38 5.19 1.87 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 1.11 2.06 0.94 0.00 0.00 69 G 8.77 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.89 5.04 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 0.75 0.00 0.00 0.94 0.00 0.00 71 D 8.66 4.44 0.00 2.63 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 72 G 10.54 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 0.00 0.00 0.00 73 A 7.84 4.42 1.23 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 74 Q 8.42 4.81 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 75 R 8.92 4.68 0.00 1.84 1.84 0.00 3.33 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 76 R 8.62 4.79 0.00 1.81 1.89 0.00 3.37 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 77 L 9.00 4.82 0.00 1.57 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 78 H 9.38 5.22 0.00 3.08 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.65 4.23 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 80 G 8.98 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 81 D 8.13 4.59 0.00 2.74 2.62 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 82 L 8.53 5.04 0.00 1.60 1.54 0.99 0.95 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 83 L 9.13 4.70 0.00 1.76 1.64 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.61 5.29 0.00 2.86 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 85 L 8.65 4.32 0.00 1.42 1.33 0.51 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.98 3.87 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 0.00 0.00 0.00 87 A 7.91 4.39 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 G 9.14 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 89 A 7.88 4.16 1.17 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 0.00 0.00 0.00 0.00 0.00 90 A 8.56 4.45 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 91 H 9.10 5.66 0.00 3.19 3.28 0.00 5.48 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 92 D 8.65 5.39 0.00 2.95 2.83 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 93 V 8.58 4.84 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 1.06 0.00 0.00 0.99 0.00 0.00 94 N 9.37 5.28 0.00 2.59 2.67 0.00 0.00 6.62 7.19 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 95 A 9.00 4.33 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 96 I 8.69 3.85 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.96 0.00 0.00 97 T 7.55 4.73 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 98 N 8.58 4.64 0.00 2.67 2.80 0.00 0.00 6.21 7.05 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 99 T 9.04 4.88 4.23 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 1.27 0.00 0.00 100 S 8.48 5.07 0.00 4.00 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 0.00 101 L 8.42 5.20 0.00 1.57 1.54 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.99 4.67 0.00 1.72 1.54 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.34 4.81 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 0.95 0.00 0.00 0.92 0.00 0.00 104 T 8.94 4.86 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 1.22 0.00 0.00 105 V 8.68 4.58 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 0.98 0.00 0.00 0.92 0.00 0.00 106 V 8.71 4.29 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 0.90 0.00 0.00 0.96 0.00 0.00 107 L 8.55 4.86 0.00 1.65 1.53 1.00 1.15 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 0.00 108 V 8.28 3.96 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 0.70 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.