NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.4805 8.3531 120.1871 54.8390 42.4073 173.8861 6 G 3.9689 8.5881 111.1051 43.4330 0.0000 172.2256 7 A 4.3302 8.9925 125.2746 50.4889 20.7921 176.5812 8 C 3.9632 8.3386 117.1755 56.4875 40.5541 172.9154 9 P 4.4867 0.0000 0.0000 62.2911 31.6048 175.5795 10 E 4.1299 8.4847 118.1508 55.9623 30.3842 176.1985 11 V 4.2083 8.2166 123.0153 61.0172 33.1805 175.7803 12 K 4.3744 8.0644 125.9877 54.1915 31.7158 173.9873 13 P 4.5512 0.0000 0.0000 62.5524 32.5013 176.5367 14 V 3.9122 7.8993 113.6315 61.7660 31.8719 176.7919 15 D 4.9617 8.3400 119.0194 53.2520 39.6387 176.0999 16 N 5.0578 7.8709 115.3629 52.5653 38.2539 173.9469 17 F 4.1176 8.8612 122.3379 58.8778 40.0764 173.5494 18 D 4.7974 7.6308 127.6142 51.8877 41.3802 176.4737 19 W 4.2136 8.6170 135.0000 59.7670 30.9911 177.8344 20 S 4.3308 8.2807 111.9473 60.4989 62.6133 174.9743 21 Q 4.2574 7.7006 118.9997 57.0835 29.2555 175.9564 22 Y 4.0200 7.3105 121.9143 55.5203 37.0078 173.0186 23 H 4.9381 7.6335 116.3133 55.3564 32.3248 175.1788 24 G 3.7588 8.7439 108.6083 44.5386 0.0000 171.3977 25 K 4.8455 8.2262 119.9467 55.1542 33.2640 176.9539 26 W 4.9472 9.3054 127.0606 54.7263 32.6834 174.2980 27 W 4.9701 9.8366 124.8391 55.4505 30.9255 175.6923 28 Q 5.0713 9.5137 126.8772 55.5730 27.1392 175.5847 29 V 4.3443 9.1041 119.3187 63.5192 33.1114 175.5311 30 A 5.3248 8.0293 119.7842 51.7679 22.5076 174.7831 31 A 4.7551 7.9891 119.0404 51.1960 22.8385 175.5581 32 Y 4.8313 8.3635 117.1978 57.6860 38.9153 175.9628 33 P 4.3002 0.0000 0.0000 66.1836 31.4894 178.7493 34 D 4.4191 8.2532 116.9968 57.6049 40.7299 178.2722 35 H 4.2787 8.3863 118.2603 59.4527 30.0276 177.2265 36 I 4.0089 7.9805 121.6300 64.7079 36.6467 178.6575 37 T 3.8482 7.7702 115.7965 66.4506 68.4201 176.8717 38 K 3.7796 7.6772 119.2894 58.4111 32.1656 177.5392 39 Y 4.3862 7.9904 113.5870 57.0909 39.0856 176.4700 40 G 3.8941 7.9332 106.5463 44.9849 0.0000 173.3603 41 K 4.3655 8.5984 119.4748 55.7157 34.4720 175.9135 42 C 4.4421 8.5425 113.1159 60.8010 25.7253 173.7323 43 G 4.6031 8.3243 106.2095 45.8556 0.0000 173.7008 44 W 5.9613 8.3416 119.7800 55.1435 32.1252 173.3479 45 A 5.0714 9.3736 121.3833 50.5126 22.7778 174.4939 46 E 5.1327 9.2242 121.5136 54.6962 32.4705 174.1902 47 Y 4.9124 9.1287 124.5483 56.5211 40.7551 174.7155 48 T 4.7765 8.9049 121.3557 60.8792 71.5621 171.9026 49 P 4.6464 0.0000 0.0000 62.8855 32.4852 176.9316 50 E 4.5420 9.3891 123.8594 55.2050 31.9197 177.0473 51 G 3.9535 8.1267 116.7050 46.8146 0.0000 175.1063 52 K 4.2573 9.0650 124.5393 57.8621 32.4018 176.6195 53 S 4.8370 7.9358 113.6061 56.8760 65.9062 173.2003 54 V 4.8876 8.5507 119.7514 61.0168 34.4211 174.1202 55 K 4.7585 9.1203 129.3296 55.4092 34.1814 175.1891 56 V 4.3691 8.7131 126.8832 61.0353 34.2203 174.1236 57 S 5.1411 8.6569 123.9828 56.6865 65.7104 173.1339 58 R 4.7402 8.9713 124.8311 54.5189 33.5930 173.1001 59 Y 4.5982 7.5526 126.8979 55.8780 41.4402 174.3559 60 S 4.5004 7.0806 118.2460 57.7557 67.3558 173.8078 61 V 4.5677 8.4300 120.4591 61.3030 33.4096 174.1572 62 I 4.4648 8.7463 129.7993 60.1124 39.7092 175.9919 63 H 3.9192 9.7698 125.2032 56.8861 26.2930 175.8624 64 G 3.9446 8.5224 105.1112 45.2035 0.0000 173.6627 65 K 4.4431 7.7268 121.2250 53.9176 34.5318 174.9818 66 E 4.3284 8.1775 123.2398 56.2500 30.9805 175.3291 67 Y 4.7663 7.9871 117.4749 56.6169 42.9603 173.7397 68 F 5.2951 8.8689 120.1931 55.8191 41.5399 175.0563 69 S 4.9718 9.2441 117.3884 56.3694 66.5455 172.4799 70 E 5.0616 8.5246 117.4877 55.0268 33.1527 174.6317 71 G 4.6619 8.4237 106.8176 46.9124 0.0000 171.7972 72 T 5.2500 8.9744 115.9886 61.4413 72.3632 173.3510 73 A 5.6086 9.1287 126.7126 50.6567 22.3075 174.8699 74 Y 5.2259 9.2673 117.9024 55.6743 42.7533 173.3058 75 P 4.3624 0.0000 0.0000 62.3210 32.5350 175.7801 76 V 3.9531 8.1055 123.0259 61.8187 32.4499 176.6563 77 G 3.6221 8.7331 116.8963 46.0060 0.0000 173.0255 78 D 4.3562 8.4390 123.0165 53.7783 41.6399 177.5058 79 S 4.0183 8.7483 121.9985 61.1684 63.2070 176.4667 80 K 4.5095 8.2374 121.3001 58.4587 31.6563 177.8026 81 I 4.5781 7.4958 117.3988 60.4733 38.2916 175.8583 82 G 3.3106 7.7877 107.9998 46.9332 0.0000 172.7245 83 K 4.6761 7.1326 118.2357 54.2929 34.2399 174.8487 84 I 4.8593 8.0326 128.0557 59.5311 41.0307 173.8243 85 Y 5.0777 9.2175 128.2245 56.7820 40.7213 173.9226 86 H 5.5857 8.5314 122.6223 54.0420 33.0560 173.1941 87 S 4.7935 8.7761 117.0278 57.7132 66.0306 172.9749 88 Y 4.6442 8.8886 122.1369 57.2994 41.4110 173.2546 89 T 4.9317 8.5986 124.9439 61.6011 71.4087 173.5092 90 I 4.4203 8.3053 126.2005 59.8573 42.0204 174.8730 91 G 3.7817 9.5929 116.4518 46.7201 0.0000 174.0724 92 G 3.8437 8.3721 103.7450 45.3197 0.0000 173.8856 93 V 4.3270 7.6338 119.7209 60.9186 33.5796 174.4658 94 T 4.9780 8.3757 123.2922 62.0603 70.4150 173.5942 95 Q 4.9935 8.9981 124.0308 54.2799 33.2148 173.9239 96 E 4.9704 8.2802 117.1158 55.4695 33.1525 173.9585 97 G 4.0766 7.8067 106.7676 46.2772 0.0000 171.9849 98 V 5.2945 8.8449 119.6683 60.9398 33.9105 174.3437 99 F 5.4369 8.9751 121.4963 55.2449 42.0839 173.1094 100 N 5.2711 9.1659 115.3094 51.3315 42.2389 174.1608 101 V 4.2199 8.4812 123.4738 62.4468 32.0792 176.5323 102 L 4.1567 8.6201 128.7494 56.8587 42.6570 177.3817 103 S 4.3993 7.4375 110.7097 57.5860 65.1077 172.7625 104 T 3.7995 7.9335 118.8886 61.3213 68.9510 172.6045 105 D 4.6842 7.1748 123.9965 52.4100 39.7986 176.5180 106 N 4.0777 8.1765 115.8687 53.9552 36.7236 174.7089 107 K 4.7913 7.9815 112.5778 58.0893 39.4671 176.3155 108 N 5.0737 9.3267 117.4924 53.2027 40.9262 173.8513 109 Y 5.8023 7.9240 114.7499 56.1693 41.7586 173.9143 110 I 4.8784 9.1161 120.3180 59.8709 42.1741 174.1133 111 I 4.6293 8.7787 127.1329 59.5496 39.5587 175.0253 112 G 3.5285 8.0566 114.7282 44.4227 0.0000 171.6647 113 Y 5.0431 8.3650 121.7299 55.5814 42.9390 173.7018 114 F 5.0657 8.4907 126.7202 56.6063 43.3940 172.3644 115 C 5.2283 7.4748 124.3507 54.6765 46.1826 172.9016 116 S 4.8271 7.9696 119.5597 57.1065 66.1881 172.6922 117 Y 3.7645 7.7752 118.0808 54.8880 39.1233 175.6534 *123 G 3.8290 8.1714 111.0781 46.3045 0.0000 171.3008 124 H 4.6482 7.8866 110.3823 54.8299 30.5730 172.7188 125 M 4.8259 8.8291 121.9921 54.0215 34.6744 174.0527 126 D 5.4902 8.9288 124.8265 52.7864 44.0637 175.6512 127 L 5.1189 8.6370 120.5886 53.3340 46.4688 175.6430 128 V 4.8467 7.9143 121.7542 60.8790 35.3725 173.8579 129 W 5.5367 8.1292 122.2651 54.8909 32.0417 173.6345 130 V 4.8511 9.1844 122.0467 61.2828 33.8496 174.1658 131 L 5.5051 9.1518 127.7929 53.4661 44.5899 175.4560 132 S 5.5694 9.4965 115.8286 57.0449 65.9454 174.8765 133 R 3.6601 8.5471 123.0164 57.5766 29.9915 176.9199 134 S 4.7937 8.0265 113.7501 56.1343 65.3896 175.2225 135 M 3.5584 7.9034 121.0113 57.1759 31.8567 176.9936 136 V 4.4188 6.8896 118.0519 60.5857 34.2156 174.8002 137 L 4.2977 8.7080 127.3893 54.5735 41.5310 176.0708 138 T 4.6851 8.2231 113.0525 59.5462 73.1521 177.1870 139 G 3.8861 8.3223 110.9136 45.6180 0.0000 175.2027 140 E 3.9129 9.1679 123.9622 59.4487 29.0356 178.4850 141 A 4.0634 8.0398 119.7650 55.1002 18.4856 179.4092 142 K 3.8443 7.8664 117.9215 59.9534 32.2733 179.2016 143 T 3.8449 8.2202 116.0335 66.4710 68.3469 176.5429 144 A 4.0166 7.9927 122.7164 55.1641 18.4654 179.8007 145 V 3.4116 7.6924 116.8327 66.0845 31.6553 178.0103 146 E 3.9996 8.3314 118.3069 59.5930 29.2243 179.0967 147 N 4.3200 8.1419 116.3863 56.4422 38.3949 176.5709 148 Y 4.0223 7.9214 119.6686 60.9441 39.2411 178.1080 149 L 3.9880 8.1188 119.5716 57.8651 41.4716 179.6472 150 I 3.8355 7.6038 118.8455 63.5375 37.1232 177.7214 151 G 3.8329 7.2754 103.8564 43.5557 0.0000 173.7442 152 S 3.9267 6.8978 117.1513 57.3315 62.7828 173.1742 153 P 4.1756 0.0000 0.0000 64.2916 31.5262 177.3589 154 V 4.2456 7.0482 109.2800 61.1252 33.9153 176.0424 155 V 4.0528 7.7463 119.8162 61.7349 32.2499 174.7494 156 D 4.7337 9.2940 128.0810 52.7085 40.3922 176.9635 157 S 4.3452 8.6689 122.9128 61.2716 63.1932 176.3970 158 Q 4.1724 7.7941 117.7480 57.5807 28.6299 176.7413 159 K 4.1948 7.9156 117.8827 57.2949 32.6880 176.7318 160 L 4.4429 7.6260 118.5950 55.0634 42.3341 176.6195 161 V 4.4652 8.6840 123.6300 61.4037 33.7010 174.0744 162 Y 4.8671 8.7423 125.4180 57.1664 39.1684 175.5466 163 S 4.1311 9.1839 120.1240 58.4107 63.9745 174.0726 164 D 4.6412 8.3468 123.4419 52.8435 40.5613 175.5546 165 F 4.9867 8.2984 125.8113 57.8132 39.2787 176.4052 166 S 4.3705 7.9390 122.8913 58.9717 62.5936 174.2747 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 5 D 8.35 4.48 0.00 2.66 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 6 G 8.59 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 7 A 8.99 4.33 1.14 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 0.00 0.00 8 C 8.34 3.96 0.00 2.82 2.97 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 9 P 0.00 4.49 0.00 2.14 2.04 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 10 E 8.48 4.13 0.00 2.08 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 0.00 2.25 2.27 0.00 11 V 8.22 4.21 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 0.80 0.00 0.00 1.07 0.00 0.00 12 K 8.06 4.37 0.00 1.87 1.79 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.43 7.81 13 P 0.00 4.55 0.00 2.19 1.96 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.18 0.00 14 V 7.90 3.91 2.30 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 0.84 0.00 0.00 0.97 0.00 0.00 15 D 8.34 4.96 0.00 2.68 2.72 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 16 N 7.87 5.06 0.00 2.80 2.88 0.00 0.00 6.09 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 17 F 8.86 4.12 0.00 3.03 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 18 D 7.63 4.80 0.00 2.67 2.42 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 19 W 8.62 4.21 0.00 3.41 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 20 S 8.28 4.33 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 21 Q 7.70 4.26 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.52 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 22 Y 7.31 4.02 0.00 2.21 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 0.00 0.00 0.00 0.00 23 H 7.63 4.94 0.00 3.27 3.25 0.00 5.83 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 24 G 8.74 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 25 K 8.23 4.85 0.00 1.80 1.49 0.00 1.15 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.50 1.01 7.81 26 W 9.31 4.95 0.00 3.44 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 27 W 9.84 4.97 0.00 3.33 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 28 Q 9.51 5.07 0.00 2.32 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.02 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 29 V 9.10 4.34 2.38 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 1.02 0.00 0.00 1.20 0.00 0.00 30 A 8.03 5.32 0.62 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 0.00 0.00 31 A 7.99 4.76 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 32 Y 8.36 4.83 0.00 3.02 2.85 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 33 P 0.00 4.30 0.00 2.18 2.14 0.00 3.64 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 34 D 8.25 4.42 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 35 H 8.39 4.28 0.00 3.39 3.60 0.00 5.68 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 36 I 7.98 4.01 2.08 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 1.58 0.50 0.92 0.00 0.00 37 T 7.77 3.85 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 1.18 0.00 0.00 38 K 7.68 3.78 0.00 1.00 0.74 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.17 1.34 7.81 39 Y 7.99 4.39 0.00 2.63 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 40 G 7.93 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 41 K 8.60 4.37 0.00 1.94 1.97 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.41 7.81 42 C 8.54 4.44 0.00 3.39 3.50 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 0.00 43 G 8.32 4.60 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 0.00 0.00 0.00 44 W 8.34 5.96 0.00 2.77 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 45 A 9.37 5.07 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 46 E 9.22 5.13 0.00 2.32 1.86 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 2.25 2.37 0.00 47 Y 9.13 4.91 0.00 2.83 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 48 T 8.90 4.78 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 49 P 0.00 4.65 0.00 1.99 2.06 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 50 E 9.39 4.54 0.00 1.95 1.86 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 2.24 2.26 0.00 51 G 8.13 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 52 K 9.07 4.26 0.00 1.93 2.04 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.49 7.81 53 S 7.94 4.84 0.00 3.45 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.55 4.89 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 1.20 0.00 0.00 1.11 0.00 0.00 55 K 9.12 4.76 0.00 1.97 1.72 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.32 7.81 56 V 8.71 4.37 1.86 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 0.39 0.00 0.00 0.64 0.00 0.00 57 S 8.66 5.14 0.00 3.74 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 58 R 8.97 4.74 0.00 1.70 1.62 0.00 2.95 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.57 0.00 59 Y 7.55 4.60 0.00 1.79 1.43 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 0.00 0.00 0.00 0.00 60 S 7.08 4.50 0.00 3.94 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 61 V 8.43 4.57 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 1.01 0.00 0.00 0.86 0.00 0.00 62 I 8.75 4.46 1.98 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.74 0.00 0.00 63 H 9.77 3.92 0.00 3.29 3.33 0.00 5.74 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 64 G 8.52 3.94 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 0.00 0.00 0.00 65 K 7.73 4.44 0.00 1.66 1.66 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.48 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.85 7.81 66 E 8.18 4.33 0.00 1.94 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 2.22 2.20 0.00 67 Y 7.99 4.77 0.00 2.73 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 68 F 8.87 5.30 0.00 2.94 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 69 S 9.24 4.97 0.00 3.43 3.63 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 0.00 0.00 0.00 0.00 70 E 8.52 5.06 0.00 1.95 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 2.07 2.16 0.00 71 G 8.42 4.66 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 0.00 0.00 0.00 72 T 8.97 5.25 4.39 0.00 0.00 0.00 0.00 0.00 0.00 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 73 A 9.13 5.61 1.66 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 0.00 0.00 74 Y 9.27 5.23 0.00 3.00 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 75 P 0.00 4.36 0.00 1.55 1.36 0.00 3.43 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 76 V 8.11 3.95 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 0.70 0.00 0.00 0.95 0.00 0.00 77 G 8.73 3.62 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 0.00 0.00 0.00 78 D 8.44 4.36 0.00 2.65 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 79 S 8.75 4.02 0.00 3.96 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 80 K 8.24 4.51 0.00 2.03 1.87 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.37 7.81 81 I 7.50 4.58 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.80 0.88 0.00 0.00 82 G 7.79 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 0.00 0.00 0.00 83 K 7.13 4.68 0.00 1.77 1.55 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.45 7.81 84 I 8.03 4.86 0.56 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.05 1.01 0.00 0.00 85 Y 9.22 5.08 0.00 3.09 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 86 H 8.53 5.59 0.00 3.06 3.08 0.00 5.67 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.78 4.79 0.00 3.95 4.17 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 88 Y 8.89 4.64 0.00 2.86 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 89 T 8.60 4.93 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 1.12 0.00 0.00 90 I 8.31 4.42 1.27 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.05 0.57 0.00 0.00 91 G 9.59 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 0.00 0.00 0.00 92 G 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6.99 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 0.00 101 V 8.48 4.22 1.73 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 0.89 0.00 0.00 0.46 0.00 0.00 102 L 8.62 4.16 0.00 1.25 1.47 0.78 0.95 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 0.00 103 S 7.44 4.40 0.00 2.72 3.37 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 0.00 104 T 7.93 3.80 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 1.28 0.00 0.00 105 D 7.17 4.68 0.00 2.82 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 0.00 106 N 8.18 4.08 0.00 2.84 2.86 0.00 0.00 6.69 7.19 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 0.00 107 K 7.98 4.79 0.00 1.84 1.86 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.83 7.81 108 N 9.33 5.07 0.00 3.01 3.02 0.00 0.00 6.64 7.36 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 117 Y 7.78 3.76 0.00 3.04 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 *123 G 8.17 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 0.00 124 H 7.89 4.65 0.00 3.34 3.31 0.00 5.48 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.83 4.83 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 126 D 8.93 5.49 0.00 2.85 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 0.00 127 L 8.64 5.12 0.00 1.88 1.85 1.17 0.85 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 0.00 128 V 7.91 4.85 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 0.00 0.00 0.80 0.00 0.00 0.69 0.00 0.00 129 W 8.13 5.54 0.00 3.26 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 0.00 130 V 9.18 4.85 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 1.11 0.00 0.00 0.91 0.00 0.00 131 L 9.15 5.51 0.00 1.84 2.00 0.94 1.16 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 0.00 132 S 9.50 5.57 0.00 4.10 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 0.00 133 R 8.55 3.66 0.00 1.51 1.55 0.00 2.82 0.00 0.00 2.88 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 134 S 8.03 4.79 0.00 3.90 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 0.00 135 M 7.90 3.56 0.00 1.44 1.70 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.00 136 V 6.89 4.42 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 0.81 0.00 0.00 0.90 0.00 0.00 137 L 8.71 4.30 0.00 1.78 1.67 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.22 4.69 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 1.20 0.00 0.00 139 G 8.32 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 0.00 140 E 9.17 3.91 0.00 2.05 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 0.00 2.45 2.45 0.00 141 A 8.04 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 0.00 142 K 7.87 3.84 0.00 1.79 1.98 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.46 7.81 143 T 8.22 3.84 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 0.00 144 A 7.99 4.02 1.47 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 0.00 0.00 0.00 145 V 7.69 3.41 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 1.05 0.00 0.00 0.27 0.00 0.00 146 E 8.33 4.00 0.00 2.18 2.00 0.00 0.00 0.00 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 2.53 0.00 147 N 8.14 4.32 0.00 2.84 2.90 0.00 0.00 6.70 7.59 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 0.00 148 Y 7.92 4.02 0.00 3.11 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 0.00 149 L 8.12 3.99 0.00 1.91 1.72 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.60 3.84 1.95 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 1.44 0.62 0.88 0.00 0.00 151 G 7.28 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 0.00 152 S 6.90 3.93 0.00 2.96 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.18 0.00 2.02 2.04 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 154 V 7.05 4.25 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 0.53 0.00 0.00 0.52 0.00 0.00 155 V 7.75 4.05 2.17 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 0.86 0.00 0.00 1.01 0.00 0.00 156 D 9.29 4.73 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 S 8.67 4.35 0.00 4.13 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 0.00 158 Q 7.79 4.17 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 159 K 7.92 4.19 0.00 1.61 1.60 0.00 1.52 0.00 0.00 0.98 0.00 0.00 2.25 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.01 1.21 7.81 160 L 7.63 4.44 0.00 1.81 1.34 0.97 0.77 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 0.00 161 V 8.68 4.47 2.24 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 1.01 0.00 0.00 1.04 0.00 0.00 162 Y 8.74 4.87 0.00 2.90 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 0.00 163 S 9.18 4.13 0.00 3.46 2.69 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 0.00 164 D 8.35 4.64 0.00 2.66 2.50 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 0.00 165 F 8.30 4.99 0.00 3.00 2.97 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 0.00 166 S 7.94 4.37 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.