NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 E 4.3645 8.4293 116.7558 55.5848 31.7106 176.0637 3 T 3.9880 8.1449 113.2666 60.4981 70.8780 173.9030 4 A 4.0436 9.0062 125.9965 55.3490 18.7971 181.3597 5 A 3.9609 7.9858 118.6812 55.3646 18.6243 179.6134 6 A 4.0595 8.0538 119.1443 54.9636 18.3675 179.7377 7 K 4.0003 8.0816 118.5300 59.2617 32.1552 178.9833 8 F 4.1259 8.3845 121.2563 61.2471 39.5096 176.9393 9 E 4.0143 8.4233 118.3343 59.5975 29.0569 179.4762 10 R 3.9324 7.8693 117.5560 59.3623 30.2585 178.0608 11 Q 4.0412 7.9147 116.5513 57.7167 29.1494 176.0786 12 H 4.7380 7.9921 113.3452 53.6740 31.5954 172.8096 13 M 4.9253 7.9365 118.5273 53.6497 34.1268 176.1230 14 D 4.7236 9.3215 123.1998 52.4568 41.8618 175.4629 15 S 4.5642 8.4623 113.8680 58.5697 62.8401 174.8681 16 S 4.6885 7.8633 112.9286 58.2650 63.3290 175.4828 17 T 4.0230 7.8057 118.2262 66.1079 68.5690 175.6029 18 S 4.6377 7.7305 113.4325 57.5717 63.5139 173.3120 19 A 4.1681 7.2311 121.0559 51.2874 21.6028 177.6407 20 A 3.7713 9.0155 124.8079 51.5248 16.5776 177.7451 21 S 4.2615 8.1631 116.2672 60.1697 64.3178 175.3634 22 S 4.6631 7.8149 115.7019 56.8097 63.3409 174.2910 23 S 4.5826 8.4848 119.9922 59.4310 63.5927 175.3348 24 N 4.5339 8.0427 119.2131 55.0923 38.1044 175.9183 25 Y 4.0434 7.8293 121.8749 61.1535 38.7857 177.7164 26 C 4.2497 8.1867 117.1204 60.0944 38.6416 175.5521 27 N 4.4082 8.3826 117.8720 55.9570 38.2706 176.1783 28 Q 4.2136 7.7765 116.5295 56.7390 29.4387 176.8999 29 M 3.9024 7.4743 120.7842 57.2739 32.6312 178.0083 30 M 4.0311 8.2883 119.2839 58.2644 31.9992 178.4606 31 K 3.9475 7.5858 120.6953 59.0438 32.2213 178.8716 32 S 4.0772 7.1616 113.4816 61.3350 62.9673 176.8352 33 R 4.5543 7.8324 118.3548 56.1771 31.3165 176.1112 34 N 4.2380 8.0818 112.9798 54.3896 36.6299 175.2305 35 L 4.3671 8.0718 116.5654 55.4806 41.8319 177.9282 36 T 5.2765 7.5241 107.5079 60.2346 69.5111 175.7352 37 K 4.0000 8.3326 124.2901 59.8715 32.5224 177.2174 38 D 4.4507 7.9576 116.0839 55.3586 41.8092 176.1554 39 R 3.6490 6.8504 112.3411 54.1925 32.6038 173.3112 40 C 4.5287 8.4179 115.8045 58.5554 27.4039 173.7266 41 K 3.9956 8.1184 127.1341 56.0392 32.1931 174.6417 42 P 4.7762 0.0000 0.0000 64.7551 32.2134 176.6340 43 V 5.0383 7.4701 115.9030 61.6471 34.9840 173.8882 44 N 4.6034 8.4423 120.7357 53.0411 43.0996 173.0891 45 T 4.8170 7.7121 120.1489 61.6878 72.0612 172.7621 46 F 4.7640 8.6891 124.8824 55.9675 41.5269 174.8242 47 V 4.4811 9.0208 123.3853 61.0074 33.5914 175.8868 48 H 5.5814 9.2263 127.4103 56.1540 28.3899 174.2145 49 E 4.7903 8.1146 116.0809 53.7036 33.2122 176.9374 50 S 4.3143 8.3759 115.0289 58.8709 64.7413 175.2680 51 L 4.0644 8.5181 123.9840 58.0039 41.9239 179.1752 52 A 3.9783 7.9804 120.5848 55.2953 18.1967 179.0729 53 D 4.3423 7.9185 116.1357 57.4402 41.1090 179.1029 54 V 3.8158 7.7172 118.2980 66.2076 31.8106 178.1763 55 Q 3.9062 8.7857 117.9087 58.7876 28.2378 178.3719 56 A 4.1755 8.0962 120.9614 54.0891 18.2589 179.5371 57 V 3.6576 7.9258 117.4064 65.7292 31.4068 176.7796 58 C 3.9826 7.8260 114.3781 57.9574 39.8934 174.0792 59 S 4.6219 7.4094 113.7264 57.9138 63.6051 174.5986 60 Q 4.7199 7.8584 121.7732 55.0669 29.9640 174.6800 61 K 3.9453 8.6057 122.8723 57.6723 33.2815 176.9697 62 N 4.0598 8.9010 127.2714 53.9427 39.1145 174.0054 63 V 4.5328 8.1057 118.5566 59.2050 36.6088 174.2270 64 A 4.5069 8.3002 124.1929 51.3800 19.4564 178.3076 65 C 4.4694 8.8373 121.6577 56.9369 40.8422 175.4216 66 K 3.8564 9.1793 122.0340 59.0319 32.3018 177.4758 67 N 4.6394 7.9265 115.8713 52.5521 37.6806 174.9092 68 G 4.0883 7.9205 108.0457 46.2933 0.0000 174.8917 69 Q 4.2279 8.2603 118.2234 56.2022 29.2138 176.5026 70 T 4.5646 8.3290 108.0509 61.5144 69.5468 173.8467 71 N 5.0105 7.8854 119.5456 53.7127 38.0101 175.0197 72 C 5.4338 7.4724 115.5798 56.8639 42.2507 173.2464 73 Y 5.1799 8.9295 117.9225 56.4766 42.0415 173.9460 74 Q 5.1595 8.9297 125.6177 54.1703 30.7599 175.4082 75 S 4.5338 8.5555 121.6522 58.6021 63.4633 173.7912 76 Y 3.9992 11.3700 124.5563 60.5237 38.7745 176.4512 77 S 4.9705 7.8147 113.4538 56.2641 65.5377 173.9751 78 T 3.9493 8.1170 112.4693 62.5682 69.2935 173.0885 79 M 5.0249 9.3653 122.7757 53.3208 36.5651 174.8779 80 S 4.7331 9.2981 117.2742 58.3898 63.4637 173.0907 81 I 5.0637 8.9492 120.4128 59.3794 41.7572 174.2803 82 T 4.9548 8.5741 118.7312 61.9229 71.9290 172.9240 83 D 4.9234 9.1769 127.4875 53.6294 42.7802 174.8101 84 C 5.2784 9.1681 122.2854 55.5756 40.4641 172.8458 85 R 5.2481 8.8207 124.1689 54.1577 33.0335 174.3838 86 E 4.2873 8.8545 125.6794 56.7045 30.6910 177.3933 87 T 4.2226 8.0022 114.3832 60.4952 70.1035 175.1078 88 G 3.7278 8.5562 109.8565 47.4419 0.0000 174.3608 89 S 4.7028 7.4302 113.1420 58.0267 63.5669 175.1234 90 S 4.3529 7.8148 117.5192 58.6890 63.9716 170.7955 91 K 4.3012 8.1660 115.2768 55.2369 33.6162 175.7066 92 Y 4.7709 8.0859 130.2322 55.8945 37.5703 172.7994 93 P 3.7546 0.0000 0.0000 64.1621 32.8857 176.6002 94 N 4.8422 7.5615 118.4463 50.7548 39.9756 173.9165 95 C 4.3413 8.6878 121.3895 58.7523 29.4631 172.9563 96 A 4.8400 8.8816 125.9616 50.2847 21.3116 174.6583 97 Y 5.0253 9.8348 120.3515 55.9691 41.8140 175.1337 98 K 4.4604 9.8626 125.8893 56.0055 33.9641 175.2644 99 T 5.1089 8.5398 123.4501 62.3441 70.6603 174.1168 100 T 4.5683 8.5444 121.8268 61.7795 72.2271 172.9052 101 Q 4.6987 8.8057 128.1546 55.7138 30.0566 174.6519 102 A 4.7277 9.0740 126.4900 50.6741 23.5306 174.8745 103 N 5.2598 8.8006 116.9850 51.7199 39.8616 174.1791 104 K 4.8162 8.6532 122.4020 54.4305 37.4125 175.4988 105 H 4.8420 8.8180 118.5305 55.7840 30.1129 174.9821 106 I 4.7930 8.3730 115.3291 59.5524 40.8810 174.2037 107 I 4.9622 8.0070 123.5729 59.6915 40.1635 175.1818 108 V 4.7110 8.4903 119.1848 59.3224 36.0547 174.4202 109 A 5.0083 8.5852 124.8808 51.2265 20.4719 175.7305 110 C 5.0686 8.6177 119.0897 55.3079 44.2630 173.3445 111 E 4.8018 8.8093 120.3127 56.0664 34.6216 175.2598 112 G 4.2796 9.9160 107.3791 45.1936 0.0000 172.5183 113 N 5.0572 7.9638 115.8927 51.0174 39.0897 171.5161 114 P 4.4997 0.0000 0.0000 61.6724 32.8269 176.1399 115 Y 5.1698 8.2645 121.4968 56.6239 38.9225 174.6731 116 V 4.4258 8.3527 119.4807 58.5857 36.8665 173.3063 117 P 4.3288 0.0000 0.0000 62.9001 30.8565 176.8087 118 V 4.3995 8.4896 116.7329 61.3091 34.4862 175.5044 119 H 5.1503 7.9575 119.6468 54.1750 33.3699 171.7523 120 F 4.7032 8.9759 127.7398 57.6329 39.4915 174.2363 121 D 4.4918 8.4403 126.5030 55.7161 42.2234 175.5940 122 A 4.4448 6.3547 117.2522 51.8366 22.4664 174.7480 123 S 5.1616 8.7911 113.9160 57.0107 66.5594 175.3197 124 V 4.1220 8.8963 115.8430 61.6295 31.9272 175.5235 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 E 8.43 4.36 0.00 2.01 1.81 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 2.13 1.88 0.00 3 T 8.14 3.99 4.26 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 1.23 0.00 0.00 4 A 9.01 4.04 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 5 A 7.99 3.96 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 6 A 8.05 4.06 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 7 K 8.08 4.00 0.00 1.90 2.06 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.45 7.81 8 F 8.38 4.13 0.00 3.27 3.20 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 9 E 8.42 4.01 0.00 2.29 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 2.46 2.60 0.00 10 R 7.87 3.93 0.00 1.95 2.07 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 Q 7.91 4.04 0.00 1.71 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.49 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 12 H 7.99 4.74 0.00 1.87 2.49 0.00 5.58 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.94 4.93 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 14 D 9.32 4.72 0.00 2.79 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 15 S 8.46 4.56 0.00 3.94 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 16 S 7.86 4.69 0.00 3.97 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 17 T 7.81 4.02 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 1.23 0.00 0.00 18 S 7.73 4.64 0.00 3.96 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 19 A 7.23 4.17 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 20 A 9.02 3.77 0.49 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 21 S 8.16 4.26 0.00 3.96 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 22 S 7.81 4.66 0.00 3.89 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 23 S 8.48 4.58 0.00 4.06 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 24 N 8.04 4.53 0.00 2.74 2.92 0.00 0.00 6.49 8.73 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 25 Y 7.83 4.04 0.00 3.07 2.95 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 26 C 8.19 4.25 0.00 3.10 3.15 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 27 N 8.38 4.41 0.00 2.93 2.95 0.00 0.00 6.75 7.74 0.00 0.00 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 Q 7.78 4.21 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 29 M 7.47 3.90 0.00 0.79 1.19 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 1.00 1.79 0.00 30 M 8.29 4.03 0.00 1.66 1.86 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.38 0.00 31 K 7.59 3.95 0.00 1.86 1.75 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.36 7.81 32 S 7.16 4.08 0.00 4.00 3.82 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 33 R 7.83 4.55 0.00 1.87 2.09 0.00 3.48 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.08 0.00 34 N 8.08 4.24 0.00 2.80 2.87 0.00 0.00 6.84 7.43 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 35 L 8.07 4.37 0.00 1.82 1.64 0.80 0.35 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 36 T 7.52 5.28 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 1.43 0.00 0.00 37 K 8.33 4.00 0.00 1.74 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.49 7.81 38 D 7.96 4.45 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.85 3.65 0.00 1.76 1.74 0.00 2.92 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 40 C 8.42 4.53 0.00 3.05 3.08 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 0.00 0.00 0.00 41 K 8.12 4.00 0.00 1.67 1.81 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.43 7.81 42 P 0.00 4.78 0.00 2.15 2.12 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 43 V 7.47 5.04 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 0.85 0.00 0.00 0.98 0.00 0.00 44 N 8.44 4.60 0.00 2.69 2.31 0.00 0.00 7.15 6.69 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 45 T 7.71 4.82 3.22 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 0.93 0.00 0.00 46 F 8.69 4.76 0.00 3.02 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 47 V 9.02 4.48 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 1.11 0.00 0.00 1.07 0.00 0.00 48 H 9.23 5.58 0.00 3.15 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.11 4.79 0.00 1.98 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 2.25 2.24 0.00 50 S 8.38 4.31 0.00 4.07 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 51 L 8.52 4.06 0.00 1.83 1.74 1.04 1.20 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 52 A 7.98 3.98 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 53 D 7.92 4.34 0.00 2.86 2.79 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 54 V 7.72 3.82 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 1.31 0.00 0.00 1.06 0.00 0.00 55 Q 8.79 3.91 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 56 A 8.10 4.18 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 57 V 7.93 3.66 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 1.18 0.00 0.00 1.02 0.00 0.00 58 C 7.83 3.98 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.41 4.62 0.00 3.93 3.88 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 60 Q 7.86 4.72 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 61 K 8.61 3.95 0.00 1.74 1.66 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.39 7.81 62 N 8.90 4.06 0.00 2.73 2.63 0.00 0.00 7.02 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 63 V 8.11 4.53 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 0.64 0.00 0.00 0.81 0.00 0.00 64 A 8.30 4.51 1.19 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 0.00 0.00 65 C 8.84 4.47 0.00 3.15 3.07 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 66 K 9.18 3.86 0.00 1.84 1.93 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.79 1.39 7.81 67 N 7.93 4.64 0.00 2.84 2.95 0.00 0.00 6.30 7.00 0.00 0.00 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 G 7.92 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 0.00 0.00 0.00 69 Q 8.26 4.23 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 70 T 8.33 4.56 4.18 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 1.18 0.00 0.00 71 N 7.89 5.01 0.00 3.00 3.16 0.00 0.00 6.05 7.68 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 72 C 7.47 5.43 0.00 2.79 2.89 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 73 Y 8.93 5.18 0.00 2.83 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 74 Q 8.93 5.16 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 75 S 8.56 4.53 0.00 4.02 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 76 Y 11.37 4.00 0.00 3.23 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 77 S 7.81 4.97 0.00 3.92 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 78 T 8.12 3.95 4.20 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 1.14 0.00 0.00 79 M 9.37 5.02 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 80 S 9.30 4.73 0.00 3.93 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 81 I 8.95 5.06 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.98 0.00 0.00 82 T 8.57 4.95 4.30 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 1.23 0.00 0.00 83 D 9.18 4.92 0.00 2.61 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 84 C 9.17 5.28 0.00 2.94 2.87 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 85 R 8.82 5.25 0.00 1.94 1.80 0.00 3.13 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 86 E 8.85 4.29 0.00 1.96 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 1.67 2.39 0.00 87 T 8.00 4.22 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 1.24 0.00 0.00 88 G 8.56 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 89 S 7.43 4.70 0.00 3.97 3.90 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 0.00 0.00 0.00 90 S 7.81 4.35 0.00 3.70 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 91 K 8.17 4.30 0.00 1.91 1.83 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.29 1.19 7.81 92 Y 8.09 4.77 0.00 2.95 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 93 P 0.00 3.75 0.00 2.04 1.93 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 94 N 7.56 4.84 0.00 2.63 2.75 0.00 0.00 7.15 9.01 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 95 C 8.69 4.34 0.00 3.14 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.88 4.84 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 97 Y 9.83 5.03 0.00 3.00 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 98 K 9.86 4.46 0.00 1.80 1.88 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.51 7.81 99 T 8.54 5.11 4.30 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 1.23 0.00 0.00 100 T 8.54 4.57 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 1.22 0.00 0.00 101 Q 8.81 4.70 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 102 A 9.07 4.73 1.21 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 0.00 103 N 8.80 5.26 0.00 2.58 2.78 0.00 0.00 6.72 7.61 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 0.00 104 K 8.65 4.82 0.00 1.75 1.85 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.42 7.81 105 H 8.82 4.84 0.00 3.07 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.37 4.79 1.78 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 1.18 0.00 0.00 107 I 8.01 4.96 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.58 0.78 0.00 0.00 108 V 8.49 4.71 1.81 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 0.69 0.00 0.00 0.82 0.00 0.00 109 A 8.59 5.01 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 0.00 110 C 8.62 5.07 0.00 2.24 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 0.00 111 E 8.81 4.80 0.00 1.82 1.81 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 2.28 2.25 0.00 112 G 9.92 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 0.00 0.00 0.00 0.00 113 N 7.96 5.06 0.00 2.64 2.70 0.00 0.00 6.93 7.69 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 0.00 114 P 0.00 4.50 0.00 2.23 2.04 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 115 Y 8.26 5.17 0.00 2.86 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 0.00 116 V 8.35 4.43 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 0.65 0.00 0.00 0.93 0.00 0.00 117 P 0.00 4.33 0.00 0.49 1.11 0.00 3.35 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 118 V 8.49 4.40 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 0.58 0.00 0.00 0.91 0.00 0.00 119 H 7.96 5.15 0.00 3.23 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.98 4.70 0.00 2.70 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 0.00 121 D 8.44 4.49 0.00 2.46 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 6.35 4.44 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 0.00 123 S 8.79 5.16 0.00 3.80 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.90 4.12 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 0.62 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.