NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3854 8.1749 115.2531 61.4964 68.9886 174.5644 2 E 3.9166 8.3377 121.2480 58.3778 29.6442 176.8026 3 F 4.3508 9.0484 122.3873 57.9187 40.8387 173.7772 4 K 4.1603 7.7639 126.5129 53.7366 34.6756 175.8728 5 A 3.8235 8.1512 126.5221 52.2097 19.3460 177.1787 6 G 4.1480 8.4616 112.8183 44.0036 0.0000 172.3823 7 S 4.4328 8.7197 116.9496 57.7289 64.3619 175.1286 8 A 4.2067 8.6544 129.0075 54.5961 17.9212 179.4697 9 K 3.8716 7.9590 117.0609 59.6396 32.3533 179.3202 10 K 4.1664 8.0790 119.4901 59.2256 32.1410 178.9711 11 G 3.6900 8.0184 105.6852 47.5311 0.0000 175.6507 12 A 2.6740 7.7297 123.3133 54.6401 18.2465 179.8482 13 T 3.8449 7.4701 107.2000 64.8530 68.8604 177.0543 14 L 4.0253 7.8044 121.4238 57.4817 41.5473 179.2484 15 F 4.0183 8.4199 120.8350 60.8405 39.1039 177.1909 16 K 3.9272 8.0555 118.7825 59.6937 32.1847 178.4601 17 T 4.1930 7.8558 107.7211 63.1709 69.2099 175.9665 18 R 4.6340 8.0711 118.8240 56.2388 32.2621 176.3228 19 C 4.3514 7.2187 113.9646 60.0578 30.8120 175.6080 20 L 3.9864 8.0220 120.8183 56.9313 41.7329 178.1566 21 Q 4.0929 7.9969 115.6423 58.5093 28.7279 176.7343 22 C 4.6091 7.8247 113.5382 59.3435 29.9408 172.8410 23 H 5.3376 8.1727 116.6525 53.8938 32.2626 172.4394 24 T 4.8581 8.2980 110.2613 60.1781 71.4829 174.8105 25 V 4.1672 8.2156 114.6637 61.5568 34.1900 176.5351 26 E 4.0297 7.9010 117.6084 55.4821 30.0206 176.0681 27 K 3.7874 8.1706 122.3712 57.8461 32.4813 177.0180 28 G 3.8877 8.9696 114.0049 45.5716 0.0000 173.4862 29 G 3.7330 7.6846 108.5105 44.1435 0.0000 172.5951 30 P 4.4169 0.0000 0.0000 62.5365 32.1629 175.8859 31 H 4.7542 8.4517 116.8702 55.5933 30.8561 175.6781 32 K 4.7099 8.0377 121.4173 56.6331 31.9595 178.8232 33 V 3.7514 8.9876 127.7720 65.6372 31.6326 175.2887 34 G 4.0371 7.8853 107.6395 42.1216 0.0000 170.4589 35 P 4.3888 0.0000 0.0000 61.3779 32.1056 175.8749 36 N 4.3769 8.4258 118.3676 54.4092 39.2566 174.6046 37 L 4.3173 8.5293 123.6009 54.6449 42.2077 175.9830 38 H 4.0616 8.0745 120.2705 57.2937 30.0712 175.2208 39 G 3.8533 8.5739 114.0785 46.2876 0.0000 174.3009 40 I 3.7098 7.4070 122.7586 63.3998 38.1128 176.5545 41 F 4.4783 7.7465 118.2386 58.5545 39.2185 175.7751 42 G 3.9866 9.2723 113.2418 45.3555 0.0000 172.9399 43 R 4.7599 7.5706 119.6586 54.5514 33.4362 174.5419 44 H 5.0152 8.7017 120.4462 54.8345 29.9217 175.5212 45 S 4.3023 8.1906 116.5071 58.8916 63.5934 174.0399 46 G 2.1802 8.2027 107.9768 46.9613 0.0000 173.9870 47 Q 4.3852 7.6002 114.3708 54.6508 31.0292 176.1214 48 A 4.1996 8.0933 123.3622 51.6755 18.5832 176.8329 49 E 4.1818 8.7724 122.3527 57.7265 30.1946 177.2774 50 G 4.0685 9.1357 110.6523 45.1830 0.0000 172.5298 51 Y 4.3163 7.6431 119.7674 55.6396 40.5735 174.8559 52 S 4.4990 7.0938 122.7662 57.2684 62.4077 173.6804 53 Y 4.5706 8.3107 123.4520 57.1068 39.3677 176.0800 54 T 4.4782 8.2803 111.3663 61.1844 71.6777 175.5271 55 D 4.4113 8.6371 121.5106 57.3779 40.3686 178.9277 56 A 4.0601 7.9997 121.1521 55.0309 18.1991 179.0754 57 N 4.3367 7.8839 114.5147 56.8465 39.3497 177.0505 58 I 3.7508 7.6748 121.0105 64.4075 37.0586 178.7008 59 K 4.0292 8.3598 117.9054 58.8001 31.8159 179.0121 60 K 3.8456 7.4209 119.2251 57.6273 32.7284 176.3676 61 N 3.9277 7.6166 115.2917 54.2192 38.1085 174.0969 62 V 3.5027 7.0006 116.8610 62.0975 33.0329 175.1254 63 L 4.2984 8.1664 130.5591 53.7000 42.1716 176.0076 64 W 4.6120 8.5097 128.1925 57.0546 30.0411 175.6421 65 D 5.5752 8.8699 123.0165 50.5634 42.6915 176.0885 66 E 3.7753 8.7299 117.9167 59.6299 29.1389 179.5244 67 N 4.4426 8.1862 116.1202 56.3280 38.8828 177.0760 68 N 4.4593 8.9807 118.3699 55.5806 37.4356 177.0069 69 M 4.2498 8.0940 121.0283 58.5852 31.8779 178.0389 70 S 4.1336 7.9201 113.0944 61.4228 62.3901 175.8097 71 E 4.0359 7.8597 120.5594 59.0440 29.4648 177.9363 72 Y 4.2355 7.9383 119.7380 60.7647 39.0475 177.9166 73 L 3.9561 8.2422 119.4899 57.3860 41.2770 179.7120 74 T 4.3583 7.6007 115.3319 65.5596 68.8159 173.5776 75 N 4.7767 7.9603 120.1316 52.2363 40.2769 172.5309 76 P 4.0488 0.0000 0.0000 63.3367 31.8783 178.1361 *78 K 4.2547 8.0100 121.1141 56.7089 33.8595 176.5517 79 Y 4.3937 8.2381 118.7788 60.2428 38.7293 175.9525 80 I 4.4854 8.2282 121.9944 57.9927 37.1352 172.0744 81 P 4.4225 0.0000 0.0000 64.2673 31.7899 177.6068 82 G 4.0163 9.1607 110.3398 45.4376 0.0000 172.9807 83 T 4.4531 7.2640 112.7817 60.8966 68.1809 175.2326 84 K 4.1357 8.6533 125.9307 58.8126 32.5030 177.1739 85 M 3.9315 7.8727 118.6370 55.9994 32.0657 175.8334 86 A 4.6040 8.5005 130.2540 50.3437 18.6249 174.8185 87 F 5.0958 8.1841 121.6858 56.5736 42.7361 175.5192 88 G 3.2136 7.3472 115.0372 46.3116 0.0000 174.8892 89 G 3.7678 5.6655 105.3698 47.0332 0.0000 173.1112 90 L 4.5096 8.1245 123.2473 52.7811 41.3449 176.7405 91 K 4.1333 8.4615 124.4203 58.8072 32.5287 179.1042 92 K 4.2403 7.8820 119.0201 55.7890 33.4666 177.6904 93 E 4.0225 8.8581 124.6301 58.9161 29.6932 179.0446 94 K 3.9858 8.0210 118.8505 59.9404 32.6439 178.7830 95 D 4.3815 8.0594 119.5713 57.1243 40.8531 178.6952 96 R 4.0069 7.7699 118.5476 59.5626 30.2791 178.7611 97 N 4.6511 8.5463 116.4397 56.6887 38.5612 177.2827 98 D 4.4378 8.3614 120.1320 57.1141 40.9757 178.5207 99 L 4.0972 8.4577 121.2794 58.4664 42.1021 179.1632 100 I 3.8358 8.4318 120.1456 64.6569 36.8429 178.5549 101 T 4.0420 8.1468 116.3152 66.8763 68.2091 176.0683 102 Y 4.1391 8.1611 121.3701 60.6072 38.9914 177.8013 103 L 3.5960 8.0667 120.0315 57.4779 41.4690 179.6261 104 K 3.7163 7.9829 117.9675 59.3064 31.7453 179.0506 105 K 3.9843 7.7329 119.4874 59.2554 31.8779 178.7300 106 A 3.8999 7.6941 120.6679 53.6955 18.3162 177.3217 107 C 4.7158 7.3372 111.2358 57.8729 30.2010 174.0150 108 E 4.1658 7.7699 124.4718 57.7159 29.1335 176.3620 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 1 T 8.17 4.39 4.27 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 1.23 0.00 0.00 2 E 8.34 3.92 0.00 2.15 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 2.36 2.35 0.00 3 F 9.05 4.35 0.00 2.98 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 4 K 7.76 4.16 0.00 1.50 1.47 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.17 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.24 7.81 5 A 8.15 3.82 1.16 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 0.00 0.00 6 G 8.46 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 0.00 0.00 0.00 7 S 8.72 4.43 0.00 4.09 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 8 A 8.65 4.21 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 9 K 7.96 3.87 0.00 1.81 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 10 K 8.08 4.17 0.00 1.82 1.81 0.00 1.91 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 11 G 8.02 3.69 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 0.00 0.00 0.00 0.00 12 A 7.73 2.67 0.92 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 13 T 7.47 3.84 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 1.24 0.00 0.00 14 L 7.80 4.03 0.00 1.98 1.83 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.42 4.02 0.00 3.27 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 16 K 8.06 3.93 0.00 1.87 2.03 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 17 T 7.86 4.19 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 18 R 8.07 4.63 0.00 1.87 2.31 0.00 3.32 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 19 C 7.22 4.35 0.00 1.34 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 20 L 8.02 3.99 0.00 1.50 1.77 1.12 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.00 4.09 0.00 2.15 2.17 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 2.23 2.31 0.00 22 C 7.82 4.61 0.00 2.71 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 23 H 8.17 5.34 0.00 3.12 3.23 0.00 5.55 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.30 4.86 4.47 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 1.29 0.00 0.00 25 V 8.22 4.17 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 0.23 0.00 0.00 0.79 0.00 0.00 26 E 7.90 4.03 0.00 2.07 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 0.00 2.33 2.23 0.00 27 K 8.17 3.79 0.00 1.35 1.62 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.24 1.27 7.81 28 G 8.97 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 29 G 7.68 3.73 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 0.00 0.00 0.00 30 P 0.00 4.42 0.00 2.20 2.07 0.00 3.92 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 1.99 1.99 0.00 31 H 8.45 4.75 0.00 3.27 3.37 0.00 5.64 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 32 K 8.04 4.71 0.00 1.88 0.75 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.33 7.81 33 V 8.99 3.75 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 0.79 0.00 0.00 0.93 0.00 0.00 34 G 7.89 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.39 0.00 1.98 0.62 0.00 3.52 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 36 N 8.43 4.38 0.00 2.66 2.62 0.00 0.00 6.99 7.78 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 37 L 8.53 4.32 0.00 1.64 1.45 0.74 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.07 4.06 0.00 3.27 3.31 0.00 6.01 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 39 G 8.57 3.85 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 0.00 0.00 0.00 40 I 7.41 3.71 1.73 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.54 0.23 0.00 0.00 41 F 7.75 4.48 0.00 3.04 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 42 G 9.27 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.57 4.76 0.00 1.93 2.01 0.00 3.13 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 44 H 8.70 5.02 0.00 3.16 3.11 0.00 5.96 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.19 4.30 0.00 3.98 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.60 4.39 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.17 2.52 0.00 48 A 8.09 4.20 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.77 4.18 0.00 2.15 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 2.35 2.38 0.00 50 G 9.14 4.07 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 0.00 51 Y 7.64 4.32 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.09 4.50 0.00 3.51 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 53 Y 8.31 4.57 0.00 2.99 3.01 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 54 T 8.28 4.48 4.31 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 1.29 0.00 0.00 55 D 8.64 4.41 0.00 2.80 2.77 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 56 A 8.00 4.06 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 57 N 7.88 4.34 0.00 2.89 3.20 0.00 0.00 7.29 9.21 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 58 I 7.67 3.75 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.29 0.86 0.00 0.00 59 K 8.36 4.03 0.00 1.71 1.84 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.56 7.81 60 K 7.42 3.85 0.00 1.87 1.82 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.38 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.20 1.17 7.81 61 N 7.62 3.93 0.00 2.70 2.69 0.00 0.00 7.21 9.02 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 62 V 7.00 3.50 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 0.00 0.00 -0.08 0.00 0.00 0.60 0.00 0.00 63 L 8.17 4.30 0.00 1.43 1.45 0.68 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.51 4.61 0.00 3.38 2.77 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 65 D 8.87 5.58 0.00 2.85 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 66 E 8.73 3.78 0.00 1.79 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 1.67 0.00 67 N 8.19 4.44 0.00 2.98 2.92 0.00 0.00 6.89 6.92 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 68 N 8.98 4.46 0.00 2.95 3.14 0.00 0.00 6.69 7.63 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 69 M 8.09 4.25 0.00 2.43 2.34 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 70 S 7.92 4.13 0.00 4.16 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 71 E 7.86 4.04 0.00 2.00 1.87 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 2.31 2.35 0.00 72 Y 7.94 4.24 0.00 2.98 3.17 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 73 L 8.24 3.96 0.00 1.77 1.77 0.93 0.74 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 74 T 7.60 4.36 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 1.24 0.00 0.00 75 N 7.96 4.78 0.00 2.70 2.71 0.00 0.00 7.23 7.60 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 76 P 0.00 4.05 0.00 2.20 1.75 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.81 0.00 *78 K 8.01 4.25 0.00 1.97 2.15 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.50 7.81 79 Y 8.24 4.39 0.00 3.07 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.49 2.19 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.46 1.03 0.00 0.00 81 P 0.00 4.42 0.00 2.20 2.11 0.00 3.80 0.00 0.00 3.87 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 82 G 9.16 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 83 T 7.26 4.45 4.50 0.00 0.00 0.00 0.00 0.00 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 84 K 8.65 4.14 0.00 1.91 1.94 0.00 1.84 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.50 7.81 85 M 7.87 3.93 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 86 A 8.50 4.60 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 87 F 8.18 5.10 0.00 2.84 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 88 G 7.35 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 0.00 0.00 0.00 89 G 5.67 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 90 L 8.12 4.51 0.00 1.76 1.74 1.05 0.85 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 91 K 8.46 4.13 0.00 1.74 1.87 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.38 7.81 92 K 7.88 4.24 0.00 1.82 1.75 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.50 7.81 93 E 8.86 4.02 0.00 2.06 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 2.41 2.42 0.00 94 K 8.02 3.99 0.00 2.03 2.06 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.55 7.81 95 D 8.06 4.38 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.77 4.01 0.00 2.05 2.10 0.00 3.29 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 97 N 8.55 4.65 0.00 2.89 2.96 0.00 0.00 7.13 8.42 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 98 D 8.36 4.44 0.00 2.90 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 99 L 8.46 4.10 0.00 1.91 1.97 1.02 1.26 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 0.00 100 I 8.43 3.84 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.83 0.47 0.00 0.00 101 T 8.15 4.04 4.54 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 1.34 0.00 0.00 102 Y 8.16 4.14 0.00 3.27 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 0.00 103 L 8.07 3.60 0.00 2.11 1.93 1.08 0.81 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 0.00 104 K 7.98 3.72 0.00 1.71 1.63 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.17 1.20 7.81 105 K 7.73 3.98 0.00 1.72 1.81 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.42 7.81 106 A 7.69 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 7.34 4.72 0.00 2.86 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 0.00 108 E 7.77 4.17 0.00 1.96 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 2.46 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.