NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9517 8.3544 109.7410 45.7044 0.0000 173.3622 2 S 4.4759 8.1513 123.9079 56.7276 62.9231 173.4551 3 M 4.7781 8.7357 122.8618 54.3514 32.8899 173.5130 4 E 4.9420 7.2970 118.4988 55.5132 34.0906 175.5211 5 Q 3.7126 8.7307 116.0283 54.9669 26.1260 173.8752 6 F 5.6183 7.0075 129.2376 58.7777 43.6395 172.9519 7 E 4.2176 8.3279 127.3978 54.2840 31.4291 174.4308 8 L 4.8893 7.5601 123.8797 52.6826 43.7423 176.0847 9 F 5.1897 9.1672 122.4585 55.7820 42.9743 174.1859 10 S 5.0880 8.8006 118.3077 56.5715 65.8531 173.4948 11 I 4.3003 8.7647 126.2327 60.6784 38.6453 176.2956 12 D 4.7803 8.4067 126.2560 53.4433 39.8101 176.4321 13 K 3.8764 8.2252 117.9304 57.2517 30.9466 174.6499 14 F 4.2338 8.5400 114.6905 56.8249 41.2422 174.6193 15 K 4.3815 8.5040 131.2551 55.2012 33.3329 175.9653 16 C 4.4538 8.3131 122.9909 56.1759 44.8050 172.6334 17 N 4.5403 8.5427 127.1151 52.8273 40.1153 171.8259 18 S 3.9505 8.2365 113.7469 59.3246 61.9932 170.8353 19 E 4.1175 8.0046 120.5599 56.1930 30.8017 173.8016 20 A 4.0869 8.3425 135.0000 51.3173 23.8140 177.5995 21 K 3.9534 8.0732 117.1727 58.7000 32.8273 177.5337 22 Y 4.3934 8.5474 118.7096 61.1078 38.0601 177.8627 23 Y 3.5855 6.9839 120.5682 60.2489 38.8582 177.7218 24 L 4.0944 8.7065 119.7593 58.2053 41.8129 179.5805 25 N 4.6365 8.6077 114.8594 55.5499 38.4964 176.3961 26 I 4.2864 7.5819 118.3327 60.8827 38.3716 175.8977 27 I 4.4772 8.0033 119.0988 61.1172 39.6351 174.0355 28 E 4.6127 8.4305 120.6918 59.9450 29.0390 174.6726 29 G 4.0132 8.4706 116.0546 43.8601 0.0000 170.7010 30 E 5.1314 8.4940 119.8050 53.9503 32.0805 175.7451 31 W 3.7248 9.3279 124.0993 57.5970 29.2650 174.6231 32 H 4.5489 8.6441 121.3726 54.9058 27.7193 174.5048 33 P 4.5893 0.0000 0.0000 62.8697 32.5006 176.3381 34 Q 4.6562 8.4405 116.8140 56.9171 28.9047 175.6506 35 D 4.8979 8.0733 116.1326 55.4707 41.0336 177.1165 36 L 4.4613 8.6087 114.6857 55.5917 44.8032 174.1159 37 N 4.1003 9.1228 114.8758 53.0782 38.4104 173.3361 38 D 4.4282 7.8300 114.7226 55.3446 39.7206 173.6675 39 S 5.0352 7.3673 118.9075 56.6002 64.0289 172.4461 40 P 4.7709 0.0000 0.0000 63.1925 34.9818 176.6106 41 L 4.6583 8.0161 124.0383 54.4595 42.4004 176.0935 42 K 5.8215 9.2338 125.6784 54.0943 35.4484 174.9551 43 F 5.5723 8.6373 126.2122 56.3463 42.7192 173.6227 44 I 4.6868 8.2069 118.1820 58.6641 41.3085 173.7180 45 L 4.7704 7.9021 121.9255 54.8275 42.6645 176.4649 46 S 3.8559 8.6711 118.7643 58.5346 63.8595 171.9055 47 T 4.5520 7.9572 116.1453 62.8411 69.5267 174.8934 48 S 3.8904 7.5799 115.1083 59.1290 63.0976 172.7360 49 D 4.8849 8.1474 118.9625 53.9417 42.6972 175.6889 50 D 4.5006 8.2253 116.2425 53.5208 43.5249 174.9204 51 S 5.0413 8.0883 119.8946 57.1878 64.2968 175.5535 52 D 4.2493 8.9057 124.6748 57.2008 41.2753 175.6756 53 Y 5.3519 7.7406 116.5453 56.2926 40.4966 174.8354 54 I 4.2187 8.5882 124.7618 58.8471 40.1013 173.4446 55 C 4.0597 8.8354 131.0616 57.5319 43.3887 173.2923 56 K 4.6020 9.0914 129.4024 58.4054 31.6662 175.9702 57 Y 5.0600 7.6494 116.7173 55.5399 41.7847 173.0876 58 I 4.0700 8.4624 114.7205 60.8880 39.3291 175.7962 59 N 4.9359 8.6573 123.5500 50.9537 38.3108 175.1889 60 T 4.5777 7.6087 118.9334 60.2364 67.6612 174.0070 61 E 4.6213 6.8684 119.8659 58.0460 37.3263 175.0242 62 H 4.2185 8.0739 119.4122 59.0529 29.5342 176.2261 63 K 3.8617 7.2002 114.5150 57.5920 29.6232 173.7075 64 Q 5.0718 7.7595 121.1622 54.1767 33.3596 174.4002 65 L 5.0047 8.8075 125.5397 53.2838 45.8337 174.9359 66 T 4.9685 7.8585 116.0515 59.7544 70.9552 173.3359 67 L 5.2552 8.8477 126.3478 54.2702 44.4198 174.0315 68 Y 5.4001 9.0753 120.7266 55.2163 40.5390 174.1522 69 N 5.0319 9.6775 123.2131 52.7431 40.2529 175.2766 70 K 4.4292 8.6489 128.7366 56.3568 32.8274 176.2114 71 N 4.6791 8.3826 117.5336 54.3474 40.2356 175.5294 72 N 4.5747 8.0604 113.9652 54.6729 39.0516 174.2425 73 S 4.4445 7.0903 115.8002 57.1964 69.7795 175.6443 74 S 4.9323 7.5219 112.4891 58.0164 65.1399 173.5124 75 I 5.0921 8.4103 128.4271 60.2969 38.5097 174.0838 76 V 4.7323 8.7068 128.2502 60.8462 32.7207 175.1554 77 I 5.0784 9.0126 120.3995 58.7405 40.6282 174.5548 78 E 5.0021 9.0204 123.6194 54.6656 31.5850 174.4075 79 I 5.5228 8.3318 118.7387 58.0667 40.9498 174.1139 80 F 5.2676 8.7370 127.2385 56.7638 41.5967 174.0474 81 I 3.8625 8.3650 128.1241 60.4845 36.9027 173.4264 82 P 4.2240 0.0000 0.0000 61.9773 30.8045 178.9565 83 N 4.0916 9.6352 123.8566 55.3367 44.2781 173.2352 84 D 4.8250 9.3624 113.3799 55.4463 40.1425 173.9797 85 N 4.2580 7.4169 111.8666 52.0982 35.8229 173.1822 86 K 4.6225 7.9491 115.8523 55.7081 35.6798 174.0001 87 I 4.4086 8.4144 125.6906 59.6846 42.0381 172.6495 88 L 5.0916 8.4454 129.7214 53.0689 45.0887 174.5681 89 L 5.1050 8.8549 127.8591 53.5440 45.0896 175.0344 90 T 4.9345 8.5746 121.6027 61.7593 72.2077 172.8625 91 I 4.9541 8.2209 125.0391 59.9188 40.7004 174.1393 92 M 5.1277 8.8834 124.4212 54.6161 36.3076 172.9174 93 N 5.1064 8.0134 119.4985 54.1651 42.6216 176.3571 94 T 2.8359 8.3907 110.7620 60.4344 70.4540 173.4180 95 E 4.7014 8.8293 117.5778 56.1782 31.3125 174.5615 96 A 4.8724 8.0218 123.0498 50.5632 22.0455 176.4173 97 L 4.4746 8.3024 114.7351 55.0483 43.1712 176.1017 98 G 3.9973 8.4975 109.9386 44.5609 0.0000 174.5268 99 T 4.1042 8.0005 105.3582 62.7059 68.4842 173.3490 100 S 4.3899 7.7839 113.7664 60.5199 64.3382 172.7404 101 P 4.0866 0.0000 0.0000 62.8653 31.4223 177.0776 102 R 4.0950 7.2447 117.4677 55.5431 27.0365 173.2553 103 M 4.0991 7.6455 121.4430 53.6587 34.4023 173.9648 104 T 4.5834 8.1198 121.6324 60.8874 68.2368 173.2187 105 F 5.1858 8.9360 128.8564 55.5740 41.5432 174.8985 106 I 4.8098 8.4359 116.6639 58.8662 39.7346 176.8889 107 K 3.9258 8.7841 126.6247 55.8833 29.5213 173.1424 108 H 4.2766 8.0711 117.8974 55.0442 25.4744 175.4143 *109 K 4.1220 8.7074 121.6641 57.0405 32.2543 177.2915 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 G 8.35 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 0.00 0.00 0.00 2 S 8.15 4.48 0.00 3.88 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 3 M 8.74 4.78 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 4 E 7.30 4.94 0.00 1.97 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 0.00 2.25 2.44 0.00 5 Q 8.73 3.71 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.29 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 6 F 7.01 5.62 0.00 2.89 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 7 E 8.33 4.22 0.00 2.14 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 2.41 2.30 0.00 8 L 7.56 4.89 0.00 1.07 1.29 -0.30 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.17 5.19 0.00 3.26 3.30 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 0.00 10 S 8.80 5.09 0.00 3.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.76 4.30 2.64 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 1.43 1.35 1.13 0.00 0.00 12 D 8.41 4.78 0.00 2.95 3.05 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 13 K 8.23 3.88 0.00 1.98 1.88 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.36 7.81 14 F 8.54 4.23 0.00 3.22 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.50 4.38 0.00 1.86 1.75 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.38 7.81 16 C 8.31 4.45 0.00 2.89 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 17 N 8.54 4.54 0.00 2.71 2.74 0.00 0.00 7.20 7.65 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 18 S 8.24 3.95 0.00 4.05 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 19 E 8.00 4.12 0.00 1.78 1.76 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 1.47 1.47 0.00 20 A 8.34 4.09 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 K 8.07 3.95 0.00 1.96 1.90 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.59 7.81 22 Y 8.55 4.39 0.00 3.26 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 23 Y 6.98 3.59 0.00 2.41 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 24 L 8.71 4.09 0.00 1.89 1.97 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.61 4.64 0.00 2.74 2.92 0.00 0.00 6.99 7.42 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 26 I 7.58 4.29 2.06 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 0.44 1.04 0.00 0.00 27 I 8.00 4.48 1.46 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.55 -0.29 0.00 0.00 28 E 8.43 4.61 0.00 2.12 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 2.36 2.33 0.00 29 G 8.47 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 30 E 8.49 5.13 0.00 2.07 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 0.00 2.14 2.23 0.00 31 W 9.33 3.72 0.00 3.22 3.10 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 0.00 0.00 0.00 0.00 32 H 8.64 4.55 0.00 3.38 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.59 0.00 2.20 2.13 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 34 Q 8.44 4.66 0.00 2.31 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.29 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 35 D 8.07 4.90 0.00 2.68 2.73 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 36 L 8.61 4.46 0.00 1.61 1.56 0.93 0.59 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 37 N 9.12 4.10 0.00 2.81 3.00 0.00 0.00 7.49 8.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.83 4.43 0.00 2.83 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 39 S 7.37 5.04 0.00 4.32 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 40 P 0.00 4.77 0.00 2.15 2.32 0.00 3.63 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 2.15 2.14 0.00 41 L 8.02 4.66 0.00 1.55 1.41 0.88 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 42 K 9.23 5.82 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.47 0.00 0.00 2.66 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.14 1.02 7.81 43 F 8.64 5.57 0.00 3.49 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 44 I 8.21 4.69 1.68 0.00 0.00 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 1.08 0.83 0.78 0.00 0.00 45 L 7.90 4.77 0.00 1.63 1.68 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.67 3.86 0.00 3.98 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 47 T 7.96 4.55 4.41 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 1.28 0.00 0.00 48 S 7.58 3.89 0.00 4.01 3.75 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 0.00 0.00 0.00 49 D 8.15 4.88 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.50 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 5.04 0.00 3.94 3.84 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 52 D 8.91 4.25 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 5.35 0.00 3.26 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 54 I 8.59 4.22 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.38 -0.13 0.00 0.00 55 C 8.84 4.06 0.00 3.13 3.12 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 56 K 9.09 4.60 0.00 2.15 1.84 0.00 1.68 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.78 1.50 7.81 57 Y 7.65 5.06 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.07 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 1.40 0.66 0.96 0.00 0.00 59 N 8.66 4.94 0.00 2.77 2.74 0.00 0.00 6.71 7.37 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 60 T 7.61 4.58 4.21 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 1.20 0.00 0.00 61 E 6.87 4.62 0.00 1.83 1.57 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 2.11 2.26 0.00 62 H 8.07 4.22 0.00 2.92 2.79 0.00 5.80 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.20 3.86 0.00 1.81 2.05 0.00 1.11 0.00 0.00 1.38 0.00 0.00 2.67 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.19 7.81 64 Q 7.76 5.07 0.00 2.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 65 L 8.81 5.00 0.00 1.51 1.22 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.86 4.97 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 0.91 0.00 0.00 67 L 8.85 5.26 0.00 1.54 1.55 0.34 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.08 5.40 0.00 3.09 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 69 N 9.68 5.03 0.00 2.81 2.79 0.00 0.00 5.19 5.82 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 70 K 8.65 4.43 0.00 1.64 1.70 0.00 1.86 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.44 7.81 71 N 8.38 4.68 0.00 2.70 2.82 0.00 0.00 6.99 7.07 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 72 N 8.06 4.57 0.00 2.77 2.86 0.00 0.00 6.68 7.57 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 73 S 7.09 4.44 0.00 3.79 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 74 S 7.52 4.93 0.00 3.99 4.10 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 0.00 0.00 0.00 0.00 75 I 8.41 5.09 2.04 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 1.37 0.74 1.09 0.00 0.00 76 V 8.71 4.73 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 0.80 0.00 0.00 0.95 0.00 0.00 77 I 9.01 5.08 1.83 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 1.08 0.00 0.00 78 E 9.02 5.00 0.00 1.95 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 2.15 2.35 0.00 79 I 8.33 5.52 1.71 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.19 0.77 0.00 0.00 80 F 8.74 5.27 0.00 3.03 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 81 I 8.37 3.86 1.66 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 1.05 0.88 0.92 0.00 0.00 82 P 0.00 4.22 0.00 1.87 1.42 0.00 3.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 83 N 9.64 4.09 0.00 2.98 2.76 0.00 0.00 6.70 8.49 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 84 D 9.36 4.82 0.00 2.77 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 85 N 7.42 4.26 0.00 2.99 3.05 0.00 0.00 6.72 7.46 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 86 K 7.95 4.62 0.00 1.72 1.56 0.00 1.77 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.35 7.81 87 I 8.41 4.41 0.77 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.18 -0.65 0.00 0.00 88 L 8.45 5.09 0.00 1.79 1.47 0.86 0.20 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 89 L 8.85 5.10 0.00 1.99 1.54 0.95 0.82 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 90 T 8.57 4.93 4.38 0.00 0.00 0.00 0.00 0.00 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 91 I 8.22 4.95 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.99 0.00 0.00 92 M 8.88 5.13 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 93 N 8.01 5.11 0.00 2.70 2.67 0.00 0.00 7.24 6.98 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 94 T 8.39 2.84 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 1.23 0.00 0.00 95 E 8.83 4.70 0.00 1.96 1.89 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 2.18 2.19 0.00 96 A 8.02 4.87 1.24 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 0.00 0.00 0.00 97 L 8.30 4.47 0.00 1.74 1.60 0.93 0.97 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 98 G 8.50 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 99 T 8.00 4.10 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 0.00 100 S 7.78 4.39 0.00 3.62 3.84 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 0.00 101 P 0.00 4.09 0.00 2.22 2.08 0.00 3.93 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 102 R 7.24 4.10 0.00 1.85 1.99 0.00 3.21 0.00 0.00 3.79 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 103 M 7.65 4.10 0.00 1.21 1.62 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.34 0.00 104 T 8.12 4.58 4.12 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 1.12 0.00 0.00 105 F 8.94 5.19 0.00 2.62 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 0.00 106 I 8.44 4.81 2.13 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 1.34 0.76 1.03 0.00 0.00 107 K 8.78 3.93 0.00 1.09 1.63 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.26 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.89 1.24 7.81 108 H 8.07 4.28 0.00 3.28 3.65 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 K 8.71 4.12 0.00 1.86 1.80 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.