NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5517 8.1627 120.6223 55.5044 34.3692 173.5499 2 K 5.0544 8.4134 122.3262 54.4538 35.3171 172.0358 3 E 4.9069 9.0697 126.4020 54.5629 34.4601 174.3000 4 V 4.5047 8.5205 123.7883 61.1006 32.6926 175.4332 5 I 4.5078 8.9168 126.6318 60.2791 38.8036 175.4621 6 F 4.8886 8.3729 126.6755 57.9456 42.3020 173.1050 7 T 4.4484 8.5623 120.5928 60.0365 70.2474 173.7220 8 E 4.0437 8.4918 125.7958 57.2862 29.8871 176.6805 9 N 4.6108 7.5860 114.3355 54.1315 38.9058 174.4793 10 A 4.7191 7.0431 119.4416 49.0479 22.3557 174.3161 11 P 4.1841 0.0000 0.0000 62.9540 31.8874 176.2287 12 K 4.4796 8.4446 122.9131 54.1407 32.4576 174.6633 13 P 4.1507 0.0000 0.0000 63.2032 31.3365 176.3618 14 I 3.9768 8.3890 123.7020 62.7380 38.1109 176.1371 15 G 4.1877 7.6499 109.5482 44.1776 0.0000 171.8728 16 P 4.6083 0.0000 0.0000 60.2825 30.0041 174.1548 17 Y 4.7167 6.9065 119.1010 57.3313 40.6462 174.5403 18 S 4.8523 8.4346 116.4652 56.7359 65.7863 174.7222 19 Q 4.3923 8.7726 120.4893 59.1194 29.5666 176.3546 20 A 5.1399 7.7148 117.3078 51.0567 22.7963 175.1414 21 I 4.9451 8.7760 121.1043 59.3824 41.0206 174.5305 22 K 4.9007 9.3530 128.8179 55.1550 33.8313 174.9664 23 A 4.9975 9.4061 130.7935 49.7793 21.1469 176.9373 24 G 3.9127 8.8675 114.2613 48.1273 0.0000 174.1936 25 N 4.6088 8.9748 123.8012 52.7189 39.1988 173.6632 26 F 5.0699 8.1858 118.3844 55.9222 41.6582 174.5262 27 L 5.0395 8.5447 124.1491 53.3624 44.7043 174.9795 28 F 4.7800 9.4059 125.9843 56.0786 40.3811 174.8353 29 I 4.7925 8.5363 125.6214 59.7292 38.6880 176.0101 30 A 4.4573 9.2411 129.1219 51.4151 19.3916 177.4737 31 G 3.7577 8.5328 106.4947 46.4788 0.0000 172.9551 32 Q 4.9179 9.6100 125.5962 54.3930 30.9928 174.9449 33 I 4.9351 8.2094 115.8556 58.1974 41.5726 174.0544 34 P 4.6234 0.0000 0.0000 62.0827 30.9346 174.0180 35 I 4.8110 7.7935 123.5049 59.7327 40.8424 174.5480 36 D 4.5425 8.8379 127.5241 53.0804 41.2512 174.7275 37 P 4.2598 0.0000 0.0000 66.0179 31.1593 177.6102 38 K 3.9733 8.2753 116.9756 58.6740 31.6918 177.5300 39 T 4.2308 8.5404 111.4091 60.9987 68.3079 175.5999 40 G 4.2569 8.8935 108.6635 46.1556 0.0000 172.5289 41 E 4.7450 7.3356 120.2726 53.7456 32.2691 175.3574 42 I 4.3471 8.8275 127.8511 61.4409 37.7779 176.3922 43 V 3.7277 8.2112 120.5459 60.8208 31.9268 177.5810 44 K 4.5183 8.3971 125.7787 55.1631 31.5357 175.0946 45 G 4.3682 7.4394 109.8517 44.1198 0.0000 170.7206 46 D 4.7495 8.3362 120.0993 52.0939 42.4858 176.6251 47 I 3.6851 8.3575 119.1794 64.6366 37.6381 177.8010 48 K 4.0364 8.1393 118.6433 59.3758 32.1431 178.9306 49 D 4.3980 7.8738 119.0119 57.2035 40.7182 178.9125 50 Q 3.9724 8.1789 118.6964 59.2413 28.7843 178.4853 51 T 3.8114 8.1272 114.3111 65.1067 67.2371 176.1374 52 R 3.8190 7.9503 120.7290 59.2518 30.0680 178.2432 53 Q 4.0454 7.9472 119.1178 59.0565 28.9707 178.3190 54 V 3.5166 7.8170 119.1855 66.2188 31.6091 178.0470 55 L 3.5902 7.7791 118.5076 57.5708 41.2594 179.4899 56 E 3.8119 8.0644 118.8152 59.2321 29.3877 179.1246 57 N 4.2355 8.1950 116.5434 56.3772 38.5754 177.3240 58 I 3.6614 7.7542 121.3310 64.4478 37.1337 178.3358 59 K 3.8720 7.8714 119.9899 59.2512 31.9045 178.5686 60 A 3.9502 7.7700 120.9750 55.3061 18.2517 179.6408 61 I 3.6050 7.7285 118.1163 64.4628 37.0995 178.4840 62 L 3.9681 8.1724 120.0851 58.0037 41.4407 179.5724 63 E 4.1399 8.4712 118.1501 59.5391 29.2370 179.3617 64 A 3.9917 8.2085 119.5823 54.8838 18.5268 178.8285 65 A 4.3507 8.2907 117.4372 52.7308 18.7104 178.1146 66 G 3.7939 8.3226 105.4970 45.9871 0.0000 172.7870 67 Y 4.6193 8.7325 117.5762 55.6780 40.9810 174.3402 68 S 4.9287 8.3128 114.0574 56.1153 66.2671 174.9642 69 L 4.1531 8.4936 119.6612 57.8025 41.3765 178.7004 70 N 5.0700 8.1139 112.6250 52.8058 37.5962 175.1264 71 D 4.7190 8.1515 119.3574 55.0538 41.7820 176.6072 72 V 4.1620 7.6073 120.6952 62.9493 32.0176 175.1387 73 I 4.4148 8.8507 120.7807 61.3420 40.4685 175.5395 74 K 5.0190 7.7268 122.8059 54.5206 35.8584 175.1477 75 V 4.7718 8.6978 126.1784 61.3867 34.9891 173.9251 76 T 4.8366 8.6229 124.0216 61.6396 71.3523 173.1762 77 V 4.6162 8.6632 126.4622 61.3061 34.2532 173.5554 78 Y 5.1624 9.1439 126.2697 56.3376 40.1944 174.9472 79 L 5.3105 8.7701 123.4495 52.5433 46.0042 175.5228 80 K 4.4522 8.6025 123.6922 55.8275 32.8238 175.4624 81 D 5.5326 8.0897 128.3482 52.4170 38.1668 176.3510 *89 N 4.6844 7.8627 127.4999 54.1402 39.4856 175.1384 90 E 4.2867 7.8552 118.7626 57.5014 31.0282 178.3092 91 V 3.6104 8.0894 118.0233 67.1453 31.1225 177.1954 92 Y 4.0261 8.1296 114.7775 60.9649 37.5642 178.2840 93 A 4.2214 8.1414 123.9259 55.8584 18.2441 179.8824 94 E 3.9402 7.5961 114.7201 59.9913 29.8397 180.5618 95 Y 4.6516 7.3937 113.1824 59.9112 39.2651 177.3159 96 F 5.3770 8.8872 117.9099 57.1699 39.4547 178.3603 97 G 3.5276 7.9059 110.3024 48.9607 0.0000 175.7343 98 E 4.4916 8.1679 118.4607 55.7424 29.7358 175.5223 99 S 4.5185 7.8625 109.6042 59.8840 64.4649 175.5209 100 K 4.0205 8.3155 116.8961 56.7285 29.6594 173.3812 101 P 4.5977 0.0000 0.0000 62.4560 32.8078 176.7173 102 A 4.2107 8.9553 123.0182 51.8804 19.3772 176.6557 103 R 4.9727 8.4427 121.3042 54.3900 33.5064 174.7266 104 V 4.5059 8.6643 123.9585 61.0334 34.9488 174.2138 105 A 5.0270 8.3301 128.0086 50.6721 21.9203 175.5406 106 V 4.5302 8.8321 115.0811 59.9581 36.9242 173.9448 107 E 5.2446 8.7262 121.2973 55.1262 31.9486 175.4959 108 V 4.5722 8.7078 115.5933 59.8268 36.1820 176.9360 109 S 4.1129 8.8786 116.6243 61.3240 62.8089 174.7448 110 R 4.6266 7.4720 117.1745 55.0230 32.8774 173.4749 111 L 4.7591 8.0293 121.1570 51.6547 44.1981 174.2811 112 P 4.1985 0.0000 0.0000 64.1168 31.4706 177.1960 113 K 3.9723 8.8100 121.7671 57.9156 29.0950 175.0236 114 D 4.3024 7.5903 114.5369 55.1187 40.1893 173.5700 115 V 4.1263 6.9207 115.9637 61.8229 33.0870 175.4529 116 L 4.3262 9.1009 124.1607 57.2505 42.6313 177.1441 117 I 5.2292 7.5822 116.7560 59.3358 41.3768 173.9731 118 E 5.0879 9.6378 129.2366 54.5735 33.1962 174.3136 119 I 5.1241 8.9513 126.4522 59.5501 41.4935 173.9247 120 E 5.1408 8.9724 124.3530 54.5780 32.3902 174.8513 121 A 5.2504 8.3320 123.0981 50.4475 23.5315 174.7427 122 I 4.9547 8.4271 118.5124 59.5149 41.3449 174.7862 123 A 5.2751 8.6253 126.7405 50.3431 22.8197 174.0873 124 Y 5.1324 9.0170 119.5552 54.8517 42.3561 175.0583 125 K 4.1294 6.9316 124.8689 55.2626 35.1681 175.1284 126 E 3.8257 8.4485 127.3637 56.2911 29.6340 175.6725 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 M 8.16 4.55 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 2 K 8.41 5.05 0.00 1.85 1.63 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.58 7.81 3 E 9.07 4.91 0.00 2.03 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 2.26 2.32 0.00 4 V 8.52 4.50 2.12 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 0.74 0.00 0.00 0.98 0.00 0.00 5 I 8.92 4.51 2.02 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 1.31 0.92 0.94 0.00 0.00 6 F 8.37 4.89 0.00 3.02 2.94 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 0.00 0.00 0.00 7 T 8.56 4.45 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 1.02 0.00 0.00 8 E 8.49 4.04 0.00 1.94 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 2.38 0.00 9 N 7.59 4.61 0.00 2.63 2.78 0.00 0.00 6.63 7.20 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 10 A 7.04 4.72 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 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.18 0.00 2.08 2.05 0.00 3.80 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 2.10 2.29 0.00 12 K 8.44 4.48 0.00 1.89 1.80 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.60 7.81 13 P 0.00 4.15 0.00 1.29 1.31 0.00 4.08 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 14 I 8.39 3.98 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.92 0.00 0.00 15 G 7.65 4.19 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 0.00 16 P 0.00 4.61 0.00 2.24 2.13 0.00 3.97 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 2.08 2.00 0.00 17 Y 6.91 4.72 0.00 3.10 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 18 S 8.43 4.85 0.00 3.94 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 19 Q 8.77 4.39 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 20 A 7.71 5.14 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 21 I 8.78 4.95 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.96 0.00 0.00 22 K 9.35 4.90 0.00 1.92 1.80 0.00 1.78 0.00 0.00 1.94 0.00 0.00 3.25 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.60 7.81 23 A 9.41 5.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.87 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 0.00 0.00 0.00 25 N 8.97 4.61 0.00 2.21 2.17 0.00 0.00 6.76 8.13 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 26 F 8.19 5.07 0.00 3.36 2.65 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 27 L 8.54 5.04 0.00 0.95 0.92 0.89 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.41 4.78 0.00 3.07 3.03 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 29 I 8.54 4.79 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.85 0.99 0.00 0.00 30 A 9.24 4.46 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 31 G 8.53 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 0.00 0.00 0.00 32 Q 9.61 4.92 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 33 I 8.21 4.94 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.92 0.00 0.00 34 P 0.00 4.62 0.00 2.14 2.44 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 35 I 7.79 4.81 1.89 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 1.13 0.69 0.92 0.00 0.00 36 D 8.84 4.54 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.33 2.08 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 38 K 8.28 3.97 0.00 1.94 1.93 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.44 7.81 39 T 8.54 4.23 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 1.32 0.00 0.00 40 G 8.89 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 0.00 0.00 0.00 0.00 41 E 7.34 4.75 0.00 1.92 1.78 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 2.21 2.30 0.00 42 I 8.83 4.35 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.54 0.92 0.00 0.00 43 V 8.21 3.73 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 0.64 0.00 0.00 0.93 0.00 0.00 44 K 8.40 4.52 0.00 1.72 1.76 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.41 7.81 45 G 7.44 4.37 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 0.00 46 D 8.34 4.75 0.00 2.89 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 47 I 8.36 3.69 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.95 0.00 0.00 48 K 8.14 4.04 0.00 2.02 1.85 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.56 7.81 49 D 7.87 4.40 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 50 Q 8.18 3.97 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 51 T 8.13 3.81 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 1.26 0.00 0.00 52 R 7.95 3.82 0.00 2.09 2.02 0.00 3.17 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 53 Q 7.95 4.05 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 54 V 7.82 3.52 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 1.04 0.00 0.00 1.04 0.00 0.00 55 L 7.78 3.59 0.00 1.38 0.23 0.73 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.06 3.81 0.00 2.15 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 2.40 2.56 0.00 57 N 8.20 4.24 0.00 2.88 2.82 0.00 0.00 7.02 7.01 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 58 I 7.75 3.66 1.88 0.00 0.00 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 1.41 0.89 0.94 0.00 0.00 59 K 7.87 3.87 0.00 1.71 1.90 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.51 7.81 60 A 7.77 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.73 3.61 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 1.46 0.88 0.90 0.00 0.00 62 L 8.17 3.97 0.00 1.89 1.81 1.00 0.90 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 63 E 8.47 4.14 0.00 2.20 2.01 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 2.36 2.53 0.00 64 A 8.21 3.99 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 65 A 8.29 4.35 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 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 67 Y 8.73 4.62 0.00 2.96 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 68 S 8.31 4.93 0.00 3.99 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 69 L 8.49 4.15 0.00 1.82 2.08 1.11 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.11 5.07 0.00 2.92 3.06 0.00 0.00 6.36 8.06 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 71 D 8.15 4.72 0.00 3.21 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 72 V 7.61 4.16 2.23 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 0.69 0.00 0.00 1.18 0.00 0.00 73 I 8.85 4.41 1.88 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.01 1.05 0.00 0.00 74 K 7.73 5.02 0.00 1.74 1.55 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.35 7.81 75 V 8.70 4.77 1.79 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 0.99 0.00 0.00 0.38 0.00 0.00 76 T 8.62 4.84 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 0.57 0.00 0.00 77 V 8.66 4.62 2.01 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 1.14 0.00 0.00 0.96 0.00 0.00 78 Y 9.14 5.16 0.00 2.96 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 79 L 8.77 5.31 0.00 1.65 1.56 0.99 0.55 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 80 K 8.60 4.45 0.00 1.81 1.74 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.40 7.81 81 D 8.09 5.53 0.00 2.74 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 *89 N 7.86 4.68 0.00 2.83 3.22 0.00 0.00 6.65 7.66 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 90 E 7.86 4.29 0.00 2.08 1.97 0.00 0.00 0.00 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 2.36 0.00 91 V 8.09 3.61 1.92 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 0.97 0.00 0.00 0.98 0.00 0.00 92 Y 8.13 4.03 0.00 3.25 3.31 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 93 A 8.14 4.22 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.60 3.94 0.00 2.21 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 2.26 2.22 0.00 95 Y 7.39 4.65 0.00 2.49 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 0.00 0.00 0.00 96 F 8.89 5.38 0.00 3.03 2.99 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 97 G 7.91 3.53 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 0.00 0.00 0.00 98 E 8.17 4.49 0.00 1.97 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 2.30 2.31 0.00 99 S 7.86 4.52 0.00 4.14 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 0.00 100 K 8.32 4.02 0.00 1.93 1.87 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.56 7.81 101 P 0.00 4.60 0.00 1.88 2.03 0.00 3.74 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 1.60 1.27 0.00 102 A 8.96 4.21 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 0.00 103 R 8.44 4.97 0.00 1.66 1.67 0.00 3.24 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 104 V 8.66 4.51 1.93 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 0.73 0.00 0.00 0.85 0.00 0.00 105 A 8.33 5.03 1.09 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 0.00 106 V 8.83 4.53 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 0.69 0.00 0.00 0.91 0.00 0.00 107 E 8.73 5.24 0.00 1.92 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 2.32 0.00 108 V 8.71 4.57 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 1.02 0.00 0.00 1.05 0.00 0.00 109 S 8.88 4.11 0.00 3.86 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 0.00 110 R 7.47 4.63 0.00 1.71 1.72 0.00 3.18 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 111 L 8.03 4.76 0.00 1.84 1.51 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.20 0.00 2.15 1.96 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 113 K 8.81 3.97 0.00 1.93 1.96 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.43 7.81 114 D 7.59 4.30 0.00 2.69 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 0.00 115 V 6.92 4.13 2.26 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 0.93 0.00 0.00 0.94 0.00 0.00 116 L 9.10 4.33 0.00 2.08 1.72 0.94 0.72 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 0.00 117 I 7.58 5.23 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.05 0.95 0.00 0.00 118 E 9.64 5.09 0.00 2.04 1.82 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 2.26 2.41 0.00 119 I 8.95 5.12 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.96 1.10 0.00 0.00 120 E 8.97 5.14 0.00 2.05 2.14 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 2.46 2.31 0.00 121 A 8.33 5.25 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 0.00 122 I 8.43 4.95 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.76 0.60 0.00 0.00 123 A 8.63 5.28 1.02 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 0.00 124 Y 9.02 5.13 0.00 2.76 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 0.00 125 K 6.93 4.13 0.00 1.36 1.07 0.00 1.45 0.00 0.00 0.90 0.00 0.00 2.36 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.97 1.15 7.81 126 E 8.45 3.83 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.