NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4036 8.3044 120.3516 54.9987 33.4279 174.9579 2 V 3.5646 8.1925 125.7269 61.6621 32.3073 172.1787 3 E 4.1476 9.3475 128.0927 56.1213 31.2046 175.3433 4 I 4.4330 8.0852 125.4863 59.9263 39.0322 175.1100 5 N 5.1018 8.1592 120.7646 50.3607 41.9469 174.7835 6 N 4.2484 8.6304 117.2027 56.9139 38.8336 176.6143 7 Q 4.0995 8.1563 119.0310 59.0789 28.9479 178.6673 8 R 4.0344 8.6612 119.4025 58.9800 30.0458 179.0538 9 K 3.9561 8.4249 119.4855 59.5685 32.2717 178.7030 10 A 3.8921 8.0952 121.0224 55.0799 18.0617 179.4437 11 F 4.3350 8.5102 119.2952 61.5536 39.4369 177.4550 12 L 4.0023 8.3733 118.7775 57.8554 41.1527 179.2987 13 D 4.3478 8.1778 118.2189 57.4801 40.8422 178.0466 14 M 4.1199 7.9401 117.7034 58.4537 32.4990 177.7219 15 L 4.0218 7.9746 120.3072 57.9478 42.2691 179.8405 16 A 4.2390 8.1462 118.1528 52.7376 17.8490 179.0344 *18 S 4.2379 8.0147 116.6905 59.9922 63.9230 175.5540 19 E 3.8901 8.4923 117.3772 57.2936 29.2950 177.9299 20 G 3.9210 7.6618 107.1762 45.9225 0.0000 174.4445 21 T 4.1748 7.6631 111.4237 62.7487 69.9030 173.5870 22 D 4.9938 7.8208 120.5109 51.9490 40.7523 174.1127 23 N 4.8568 8.0395 113.8627 51.6860 38.4891 176.6120 24 G 3.9952 8.5032 106.4771 45.9585 0.0000 174.2507 25 R 4.3718 7.9288 115.9651 57.4761 32.4722 176.3716 26 Q 4.0044 8.2423 118.2660 55.5094 29.4592 175.8185 27 K 4.0796 8.4571 126.4733 56.9462 32.9614 175.6127 28 T 4.3314 7.8595 116.6869 61.7564 69.7557 173.0754 29 R 4.4550 8.8504 124.8839 56.2957 31.7093 176.7072 30 N 4.8786 7.7418 116.1254 53.9667 39.3602 173.4346 31 H 4.1051 8.9230 108.5278 56.8656 27.3141 176.8793 32 G 3.8673 8.4074 108.2289 45.5387 0.0000 175.7007 33 Y 4.3579 7.8885 117.2490 59.8577 38.1617 176.5510 34 D 3.6984 7.8691 118.7395 52.4542 41.1256 175.2541 35 V 4.5318 7.7467 120.4887 62.5899 32.9562 174.8118 36 I 4.9407 8.8549 129.2306 59.1000 39.6006 175.7056 37 V 3.9903 7.8141 124.9589 62.8773 31.3592 175.7239 38 G 4.0181 8.9609 111.5066 45.0401 0.0000 174.1974 39 G 4.0238 8.0896 105.3632 44.9793 0.0000 173.6132 40 E 4.3276 8.1654 121.0151 55.9523 31.1457 175.0783 41 L 5.4123 8.4300 123.1251 52.8796 44.7125 175.4914 42 F 5.2109 8.2655 116.1333 55.4562 40.4386 175.0259 43 T 4.2621 8.6306 106.6803 60.9138 70.2517 173.2586 44 D 4.7045 8.1965 122.0692 53.5731 41.7599 174.9813 45 Y 4.9138 8.7043 123.5304 58.0279 38.3322 177.5333 46 S 4.4438 8.3119 116.9860 60.6604 63.5027 173.2444 47 D 4.4941 7.5639 118.0278 52.9725 43.6620 173.8651 48 H 2.7954 8.1136 122.3832 54.9058 30.5426 174.5017 49 P 3.9937 0.0000 0.0000 63.8463 31.2317 176.6480 50 R 4.1483 7.1221 116.7547 56.9454 28.1337 175.9373 51 K 4.3013 7.2644 114.4816 54.9804 33.4018 175.7435 52 L 4.6648 8.3933 126.1969 54.0820 42.8368 175.4383 53 V 4.3241 8.4598 127.3420 61.6375 33.6887 174.6008 54 T 4.5969 8.4311 124.5474 62.5071 68.6037 174.7265 55 L 4.2184 8.9696 128.4189 56.7122 42.4813 176.4571 56 N 4.4541 7.6186 113.4511 51.4355 39.2232 173.2500 57 P 4.2433 0.0000 0.0000 65.4784 31.3300 177.9130 58 K 4.1765 8.4542 115.6393 56.7530 32.7170 176.0501 59 L 4.6979 8.0410 121.4428 53.2481 44.1782 175.3064 60 K 5.1637 8.2912 124.8635 55.0658 35.7500 175.4237 61 S 4.6460 8.2885 113.8493 57.7851 66.3053 175.4228 62 T 4.7916 7.9728 113.3913 60.3674 69.7675 174.0786 63 G 4.0216 8.1220 110.1060 47.6803 0.0000 172.8668 64 A 5.1545 9.1646 124.1879 51.6334 23.5893 176.6338 65 G 4.2479 9.6595 106.6431 44.8159 0.0000 174.7679 66 R 3.5828 8.6192 118.5741 58.5578 29.7388 176.7780 67 Y 4.6487 7.3959 112.6815 56.8181 38.8883 175.6948 68 Q 3.5540 7.9525 117.9454 56.9305 27.0600 173.7862 69 L 4.4416 8.2972 119.9649 54.3964 43.3376 176.0881 70 L 4.4856 8.4938 126.3703 54.3736 42.4029 177.2103 71 S 3.8314 8.5032 117.7519 61.3481 63.2578 176.1801 72 R 4.1500 7.5861 118.3857 56.0926 26.7120 176.0157 *75 D 4.4742 8.1117 124.7925 55.1669 43.5677 177.8963 76 A 3.8662 7.7777 120.1914 55.6638 18.2791 179.4366 77 Y 4.1243 7.8051 114.4396 60.8225 38.0182 178.3225 78 R 3.9757 8.1973 119.4340 59.4111 29.6489 178.1811 79 K 3.8961 7.8069 118.9580 59.6991 32.0521 178.3947 80 Q 4.0121 7.9579 118.2728 58.7902 29.0965 177.4655 81 L 4.5299 8.3789 117.2773 53.5190 42.5614 176.3760 82 G 3.8808 7.7161 105.9130 46.4901 0.0000 174.1273 83 L 4.3566 7.9432 118.9430 54.0303 42.5148 177.7168 84 K 4.4266 8.4745 121.0369 56.4412 32.8062 175.1875 85 D 4.9664 7.5210 116.3746 54.0153 41.6563 174.5284 86 F 5.1172 9.0001 120.7438 57.9667 39.7297 176.3080 87 S 4.3542 8.4110 114.1405 56.9116 65.0129 171.7982 88 P 3.4454 0.0000 0.0000 65.5519 30.8061 178.6980 89 K 3.8319 7.6965 117.5226 59.7037 32.1439 178.8493 90 S 4.1791 7.6026 114.1423 61.6175 62.7165 176.6924 91 Q 4.0540 8.2792 121.0313 59.0795 28.3819 178.5526 92 D 4.4954 8.5339 119.7684 57.2815 40.8404 178.5771 93 A 3.9642 8.1139 121.2240 55.3000 18.3665 179.8934 94 V 3.2912 7.8881 116.3556 65.8707 31.6144 177.9754 95 A 3.8292 7.8549 120.4601 55.2886 18.1243 179.6570 96 L 3.8767 8.0310 117.6782 57.8061 41.6375 179.5778 97 Q 3.9143 8.0448 119.6602 59.3081 28.6264 178.3994 98 Q 3.9946 7.9893 119.1290 58.9624 28.7971 178.8000 99 I 3.7452 7.8125 120.9283 64.0220 37.0085 178.3764 100 K 3.8887 8.3435 120.9164 59.6237 31.9052 178.7022 101 E 4.0720 8.1454 116.8196 58.3772 29.4076 178.3544 102 R 4.4720 7.3200 115.3765 55.0164 30.4702 176.5772 103 G 3.8309 7.8929 106.4861 46.8039 0.0000 175.3102 104 A 4.2445 7.6243 121.0231 52.4085 18.9148 180.0812 105 L 3.7741 7.7173 117.9024 57.4278 41.7029 177.5528 106 P 4.2606 0.0000 0.0000 65.7397 31.1749 178.5699 107 M 3.9910 7.8541 117.0338 58.3486 31.9980 178.7453 108 I 3.5200 7.7808 120.0250 64.4684 37.0696 178.1006 109 D 4.4210 8.1536 118.9569 57.3309 40.8134 178.6331 110 R 4.2478 8.0575 113.9687 56.8979 30.1717 177.3606 111 G 3.9708 8.0622 108.7511 45.9460 0.0000 173.6872 112 D 5.1276 8.0815 122.2933 52.9958 37.4756 177.0337 113 I 3.5963 7.2958 123.9034 64.0975 37.7369 177.8227 114 R 3.9440 7.9765 119.1507 59.6288 29.8055 178.4964 115 Q 3.9619 8.0506 116.9672 58.9143 28.8721 178.1924 116 A 3.9090 7.8698 121.6248 55.2284 18.1232 179.7245 117 I 3.8404 8.0484 117.5615 64.6328 37.3894 177.8092 118 D 4.5105 8.2203 118.7116 57.5899 40.8403 178.5567 119 R 3.9407 8.0827 117.4609 59.0030 30.3289 177.9484 120 C 4.4987 8.2662 114.7530 60.0309 28.3058 175.6390 121 S 4.1874 7.6371 116.0572 60.8582 62.6315 175.2469 122 N 4.5436 8.1122 116.7047 54.4342 37.5112 175.3947 123 I 4.1806 7.6865 119.1323 61.5686 37.2575 176.2089 *125 A 4.4429 7.8654 124.8824 52.0403 20.1050 178.6025 126 S 4.3954 8.1366 108.6806 59.7912 63.6854 174.6555 127 L 4.3442 7.7059 121.6073 53.4221 42.3440 174.4312 128 P 4.7490 0.0000 0.0000 61.8518 32.9603 175.8795 129 G 3.3255 6.8568 108.7150 44.0447 0.0000 174.7643 130 A 2.8340 8.7737 124.6552 54.2575 18.3315 179.1599 131 G 3.9079 7.7239 102.1059 46.1491 0.0000 173.4335 132 Y 4.5412 8.0707 119.3411 57.2561 38.7495 176.6977 133 G 4.0913 8.8475 113.5761 48.6281 0.0000 175.0488 134 Q 4.7361 7.9178 118.9494 54.4066 29.7867 177.5934 135 F 4.0952 8.3004 120.3331 61.9758 39.5126 175.4969 136 E 3.8195 8.4435 117.1452 59.8902 29.4749 179.0073 137 H 4.1642 8.1188 117.4453 59.1875 29.9370 177.3763 138 K 3.9526 7.8925 119.6756 59.2666 31.7757 179.1579 139 A 3.7352 7.8479 121.3787 55.0924 18.1917 179.3593 140 D 4.2443 7.7689 117.1430 57.5826 40.7861 179.2513 141 S 4.1346 7.5584 113.4303 61.2868 62.9089 176.5914 142 L 3.9551 7.6692 122.5207 57.6205 41.2690 179.4307 143 I 3.7183 8.0960 119.9519 64.1394 37.0050 178.3130 144 A 4.0008 7.8601 121.1612 55.2288 18.2798 179.8508 145 K 3.9341 7.8602 116.8017 59.4646 32.1126 179.3430 146 F 4.1166 8.5330 121.1590 61.3555 39.3611 177.3977 147 K 4.3724 8.7617 119.9089 58.8026 31.6551 178.9767 148 E 4.0993 8.1542 116.1777 58.3052 29.7679 177.9596 149 A 4.2499 7.3184 119.9101 52.3559 18.8069 177.8516 150 G 3.8165 7.8305 106.3582 44.7987 0.0000 174.5298 151 G 2.9509 7.3979 109.2737 44.7488 0.0000 172.9489 152 T 4.6367 9.0598 112.0312 59.5291 70.5528 174.2683 153 V 4.4236 8.3412 125.2130 61.4291 33.3511 175.3948 154 R 4.1931 8.3924 123.9931 56.5041 29.8393 176.0343 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 8.30 4.40 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 V 8.19 3.56 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 0.76 0.00 0.00 0.91 0.00 0.00 3 E 9.35 4.15 0.00 1.96 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 2.29 2.33 0.00 4 I 8.09 4.43 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 1.48 0.73 0.93 0.00 0.00 5 N 8.16 5.10 0.00 2.93 2.89 0.00 0.00 5.87 6.96 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 6 N 8.63 4.25 0.00 2.84 2.84 0.00 0.00 6.91 7.10 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 7 Q 8.16 4.10 0.00 2.34 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 8 R 8.66 4.03 0.00 1.99 2.00 0.00 3.22 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 9 K 8.42 3.96 0.00 1.92 1.93 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 10 A 8.10 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.51 4.34 0.00 3.51 3.29 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 12 L 8.37 4.00 0.00 1.98 1.84 0.94 0.50 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 13 D 8.18 4.35 0.00 2.78 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 14 M 7.94 4.12 0.00 2.02 2.17 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 2.78 2.42 0.00 15 L 7.97 4.02 0.00 1.85 1.88 0.80 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.15 4.24 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 *18 S 8.01 4.24 0.00 3.93 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 19 E 8.49 3.89 0.00 2.02 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 2.49 2.48 0.00 20 G 7.66 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 21 T 7.66 4.17 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 1.25 0.00 0.00 22 D 7.82 4.99 0.00 2.58 2.46 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 23 N 8.04 4.86 0.00 2.77 2.80 0.00 0.00 6.45 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 24 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 25 R 7.93 4.37 0.00 1.87 1.92 0.00 3.21 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 26 Q 8.24 4.00 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 27 K 8.46 4.08 0.00 1.74 1.67 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.40 7.81 28 T 7.86 4.33 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 1.16 0.00 0.00 29 R 8.85 4.46 0.00 1.89 1.91 0.00 3.22 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 30 N 7.74 4.88 0.00 2.75 2.75 0.00 0.00 7.29 7.89 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 31 H 8.92 4.11 0.00 3.34 3.42 0.00 5.78 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 32 G 8.41 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 33 Y 7.89 4.36 0.00 3.19 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 34 D 7.87 3.70 0.00 2.21 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 35 V 7.75 4.53 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 1.03 0.00 0.00 0.90 0.00 0.00 36 I 8.85 4.94 2.05 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 1.41 0.96 0.95 0.00 0.00 37 V 7.81 3.99 2.29 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 0.96 0.00 0.00 0.96 0.00 0.00 38 G 8.96 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 39 G 8.09 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 0.00 0.00 0.00 40 E 8.17 4.33 0.00 2.09 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 2.41 2.36 0.00 41 L 8.43 5.41 0.00 1.49 1.41 0.87 0.84 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 42 F 8.27 5.21 0.00 2.86 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 43 T 8.63 4.26 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 1.19 0.00 0.00 44 D 8.20 4.70 0.00 2.68 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 45 Y 8.70 4.91 0.00 3.14 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 46 S 8.31 4.44 0.00 4.01 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 0.00 47 D 7.56 4.49 0.00 2.59 2.46 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 48 H 8.11 2.80 0.00 2.41 2.73 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 3.99 0.00 2.03 1.73 0.00 2.89 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.38 0.00 50 R 7.12 4.15 0.00 1.96 1.98 0.00 3.07 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.68 0.00 51 K 7.26 4.30 0.00 1.86 1.71 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.32 7.81 52 L 8.39 4.66 0.00 1.62 1.58 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.46 4.32 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 0.92 0.00 0.00 1.01 0.00 0.00 54 T 8.43 4.60 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 1.28 0.00 0.00 55 L 8.97 4.22 0.00 1.70 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.62 4.45 0.00 2.88 2.87 0.00 0.00 6.27 7.76 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 57 P 0.00 4.24 0.00 2.06 2.18 0.00 3.67 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 2.03 2.13 0.00 58 K 8.45 4.18 0.00 1.84 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.36 7.81 59 L 8.04 4.70 0.00 1.75 1.51 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.29 5.16 0.00 1.64 1.67 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.39 7.81 61 S 8.29 4.65 0.00 3.87 3.66 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 0.00 0.00 0.00 0.00 62 T 7.97 4.79 4.25 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 1.20 0.00 0.00 63 G 8.12 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 64 A 9.16 5.15 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 65 G 9.66 4.25 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 0.00 66 R 8.62 3.58 0.00 0.73 0.66 0.00 2.21 0.00 0.00 2.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.02 0.00 67 Y 7.40 4.65 0.00 3.09 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 68 Q 7.95 3.55 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 69 L 8.30 4.44 0.00 2.00 1.90 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.49 4.49 0.00 1.73 1.61 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.50 3.83 0.00 3.76 3.60 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 0.00 0.00 0.00 0.00 72 R 7.59 4.15 0.00 1.99 2.13 0.00 2.99 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 *75 D 8.11 4.47 0.00 2.87 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 76 A 7.78 3.87 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 77 Y 7.81 4.12 0.00 3.14 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 78 R 8.20 3.98 0.00 1.97 2.14 0.00 3.21 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 79 K 7.81 3.90 0.00 1.96 1.95 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 80 Q 7.96 4.01 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 81 L 8.38 4.53 0.00 1.79 1.75 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.72 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 0.00 0.00 0.00 83 L 7.94 4.36 0.00 1.77 1.70 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.47 4.43 0.00 1.77 1.87 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.43 7.81 85 D 7.52 4.97 0.00 3.05 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 86 F 9.00 5.12 0.00 2.86 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 87 S 8.41 4.35 0.00 3.90 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 88 P 0.00 3.45 0.00 1.50 0.49 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.00 89 K 7.70 3.83 0.00 1.73 1.73 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.51 7.81 90 S 7.60 4.18 0.00 4.20 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 91 Q 8.28 4.05 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 1.55 2.06 0.00 92 D 8.53 4.50 0.00 2.93 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 93 A 8.11 3.96 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.89 3.29 2.13 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 0.74 0.00 0.00 1.09 0.00 0.00 95 A 7.85 3.83 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 96 L 8.03 3.88 0.00 1.77 1.68 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.04 3.91 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 98 Q 7.99 3.99 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 99 I 7.81 3.75 1.93 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 1.41 1.05 0.69 0.00 0.00 100 K 8.34 3.89 0.00 1.85 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 101 E 8.15 4.07 0.00 2.18 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 2.40 2.53 0.00 102 R 7.32 4.47 0.00 1.91 1.94 0.00 3.47 0.00 0.00 3.37 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 103 G 7.89 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 0.00 0.00 0.00 0.00 104 A 7.62 4.24 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 0.00 105 L 7.72 3.77 0.00 1.64 1.67 0.88 1.00 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 0.00 106 P 0.00 4.26 0.00 2.11 2.07 0.00 3.72 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 2.08 2.14 0.00 107 M 7.85 3.99 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 108 I 7.78 3.52 1.79 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.67 0.89 0.00 0.00 109 D 8.15 4.42 0.00 2.73 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 0.00 110 R 8.06 4.25 0.00 1.95 2.04 0.00 3.33 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 1.86 1.62 0.00 111 G 8.06 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.08 5.13 0.00 2.76 2.60 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 0.00 0.00 0.00 0.00 113 I 7.30 3.60 1.64 0.00 0.00 0.32 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 -0.33 0.58 0.00 0.00 114 R 7.98 3.94 0.00 1.91 2.03 0.00 3.30 0.00 0.00 3.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.72 0.00 115 Q 8.05 3.96 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 116 A 7.87 3.91 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 0.00 117 I 8.05 3.84 2.16 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 1.41 0.85 0.96 0.00 0.00 118 D 8.22 4.51 0.00 2.66 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 0.00 119 R 8.08 3.94 0.00 1.94 1.96 0.00 3.34 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 120 C 8.27 4.50 0.00 3.22 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 0.00 121 S 7.64 4.19 0.00 3.94 4.14 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 0.00 122 N 8.11 4.54 0.00 2.86 2.99 0.00 0.00 5.98 7.81 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 0.00 123 I 7.69 4.18 2.03 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 1.28 0.64 1.01 0.00 0.00 *125 A 7.87 4.44 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 0.00 126 S 8.14 4.40 0.00 4.10 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 0.00 127 L 7.71 4.34 0.00 1.70 1.67 1.00 0.96 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 0.00 128 P 0.00 4.75 0.00 2.41 2.14 0.00 3.74 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 1.87 1.77 0.00 129 G 6.86 3.33 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 0.00 130 A 8.77 2.83 0.73 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 0.00 131 G 7.72 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 0.00 132 Y 8.07 4.54 0.00 3.31 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 0.00 133 G 8.85 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 0.00 134 Q 7.92 4.74 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 135 F 8.30 4.10 0.00 3.31 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 0.00 136 E 8.44 3.82 0.00 2.07 2.03 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 2.60 2.42 0.00 137 H 8.12 4.16 0.00 3.25 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.89 3.95 0.00 1.75 1.76 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.57 7.81 139 A 7.85 3.74 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 0.00 140 D 7.77 4.24 0.00 2.89 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 0.00 141 S 7.56 4.13 0.00 4.06 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 0.00 142 L 7.67 3.96 0.00 1.74 1.65 0.81 1.09 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 0.00 143 I 8.10 3.72 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.86 0.95 0.00 0.00 144 A 7.86 4.00 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.86 3.93 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.57 7.81 146 F 8.53 4.12 0.00 3.16 3.27 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 0.00 147 K 8.76 4.37 0.00 2.00 1.86 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.74 1.65 7.81 148 E 8.15 4.10 0.00 2.11 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 2.52 2.29 0.00 149 A 7.32 4.25 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 0.00 150 G 7.83 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 0.00 0.00 0.00 151 G 7.40 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 0.00 0.00 0.00 152 T 9.06 4.64 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 1.22 0.00 0.00 153 V 8.34 4.42 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 0.87 0.00 0.00 1.12 0.00 0.00 154 R 8.39 4.19 0.00 1.96 1.91 0.00 3.61 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.