NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -9 S 4.3935 8.3231 115.4157 57.6194 65.0306 173.4730 -8 G 3.7431 7.8673 110.3072 44.1173 0.0000 172.0145 -7 L 3.9425 9.3344 122.3039 56.9769 43.0909 175.8533 -6 V 4.4548 7.1103 109.2003 58.3021 35.2270 173.5407 -5 P 4.4301 0.0000 0.0000 62.1066 31.8942 176.1863 -4 R 4.0726 8.6606 118.8335 58.4279 29.3952 176.5497 -3 G 4.0713 9.1342 109.1091 46.2307 0.0000 175.1937 -2 S 4.4187 8.0395 116.0500 61.0697 63.3814 175.2212 -1 H 4.4636 7.2742 115.0621 55.1259 27.2358 174.4120 -7 D 4.2425 9.5144 120.9039 56.0769 41.7909 174.5533 -6 R 4.6748 7.3103 110.5003 52.1021 33.2270 173.5407 -5 T 4.3601 8.2096 114.7473 60.6066 69.5942 173.5863 -4 H 4.4626 8.8506 116.5335 57.4279 27.4952 174.3497 -3 E 4.4613 9.2242 120.5091 57.7307 26.8844 176.8938 -2 R 4.2887 7.9595 120.8501 58.7697 30.4814 176.9212 -1 V 3.8536 6.8842 116.0621 62.3259 31.1358 176.6120 9 L 4.0891 7.8322 117.9659 58.3838 42.2290 178.4432 10 Q 4.1643 8.0426 117.1532 58.7557 28.6622 179.0229 11 A 4.2451 7.6889 118.0050 52.7236 18.2567 178.7611 *13 A 4.1845 7.9602 125.6582 53.7303 20.6758 179.8538 14 E 3.9036 8.3705 115.6349 59.4620 29.7465 177.8973 15 N 4.5404 8.5556 114.6600 54.8696 38.9993 175.9152 16 L 4.5157 7.9528 116.5707 53.5263 44.5043 177.8082 17 G 4.0859 7.7589 108.2462 46.3695 0.0000 176.8100 18 E 3.9882 8.9188 123.2232 58.2738 29.3033 177.4593 19 G 3.7374 8.0791 107.8177 45.0585 0.0000 173.3180 20 L 4.0149 7.6443 123.0848 54.1825 42.6351 175.1869 21 P 4.4126 0.0000 0.0000 62.2498 32.0833 177.3437 22 R 3.8861 8.6771 120.9490 59.6105 29.8594 178.8380 23 A 3.9277 7.9742 119.9375 54.6570 18.2964 179.5105 24 I 3.5920 7.6477 118.7521 64.3016 37.2566 176.8112 25 P 4.2487 0.0000 0.0000 65.4863 31.1658 178.7082 26 L 4.0050 7.5230 117.5542 57.6206 41.4915 179.5406 27 L 3.9102 8.1807 118.8674 57.7121 41.3746 179.0788 28 A 3.8041 7.7922 119.4711 55.2688 18.2793 179.1564 29 E 3.9476 7.9583 116.1714 59.2006 29.9764 178.4344 30 K 4.3814 8.3678 115.7179 56.6460 34.5167 177.2260 31 A 4.7303 8.3557 122.4846 49.1221 20.0025 174.9128 32 P 4.3523 0.0000 0.0000 65.3587 31.6671 179.0116 33 G 3.6272 8.0480 104.9684 47.6094 0.0000 175.3058 34 L 4.0267 7.8903 122.1860 57.5546 42.0494 178.8603 35 L 3.9815 7.7460 120.1914 58.1200 42.1187 178.7856 36 L 4.0879 8.0953 119.0057 57.6382 41.4343 179.0942 37 E 4.0263 8.3911 119.6229 59.2311 29.5101 178.2842 38 H 4.3948 8.0039 120.1867 58.7551 29.9705 177.5518 39 G 3.6035 8.3087 107.5367 47.6169 0.0000 175.6479 40 R 3.5898 8.4739 121.7757 59.1795 30.2701 178.7847 41 S 4.1923 8.4570 114.4980 61.2126 62.7056 176.1405 42 W 4.0661 8.2127 131.4117 60.4495 30.5258 177.8025 43 T 4.2353 8.0327 108.6056 64.6315 68.3849 175.8675 44 Y 4.1669 8.0750 121.7839 60.4064 38.8823 177.5944 45 A 3.7947 7.5433 117.2531 51.4366 18.4649 175.1226 *47 P 4.2479 0.0000 0.0000 63.2555 32.5054 176.2513 48 E 4.0975 8.9070 119.9095 59.2425 29.4993 177.9801 49 K 4.5170 7.8253 117.4833 54.0360 32.6048 176.1163 50 G 4.2282 7.8200 112.6453 44.1737 0.0000 170.6920 51 A 4.1798 8.5231 121.3001 53.6780 19.0539 177.9518 52 L 4.8171 7.4992 114.1242 52.4144 45.1829 176.5206 53 D 4.7074 8.2707 121.4654 52.7867 41.9285 177.3429 54 E 4.0187 8.6284 118.9690 59.1743 29.2967 179.5010 55 K 3.9153 7.9998 119.3215 59.8801 32.3757 178.6543 56 T 3.8545 8.4797 116.1295 66.7679 68.4025 176.6939 57 R 3.8878 8.0717 119.7464 59.7036 30.0578 179.2932 58 T 3.9597 8.1147 115.4086 66.7301 68.3714 176.8396 59 L 4.0701 8.1922 120.9554 57.5484 41.5162 179.7120 60 I 3.6863 7.9417 119.9772 64.4295 37.1078 178.3625 61 L 3.9517 7.9979 119.8365 57.6912 41.4324 179.4766 62 L 4.0810 8.4523 120.8154 57.9896 41.9864 179.1946 63 G 3.6362 8.3854 106.0220 47.9127 0.0000 175.6155 64 I 3.6789 7.9540 122.5052 63.9176 37.1594 178.2395 65 A 4.0065 8.0928 121.4809 55.2579 18.0774 179.7151 66 L 3.9237 8.0343 117.0350 58.0422 41.5403 179.7380 67 A 4.0489 8.1581 119.7438 54.5869 18.3921 178.7418 68 T 4.3564 8.0226 105.8829 60.7832 69.5449 174.9684 69 G 3.7534 7.5732 109.7227 47.2520 0.0000 175.2650 70 S 4.4334 7.9646 116.0397 56.4650 62.0177 173.0191 71 E 3.9388 8.6409 128.7732 59.3640 29.4416 178.8694 72 A 4.0318 7.9881 120.0032 55.5330 18.2645 179.3609 73 C 4.2218 7.6937 114.0120 62.6205 28.2515 176.1987 74 V 3.7551 7.8784 119.5603 65.8961 31.4602 177.7239 75 K 4.1892 8.2170 119.1462 59.3160 31.9392 178.9420 76 A 4.2740 8.1830 118.1330 52.5454 17.9559 178.7233 *78 A 4.2226 7.9019 124.9220 53.9301 20.6396 179.8711 79 H 4.2020 8.2435 112.9830 58.6251 28.6379 178.0402 80 R 4.0267 8.3390 120.6425 59.4613 29.9779 178.4032 81 A 4.0117 8.0032 120.0382 54.9564 18.3844 179.2704 82 K 3.8512 8.1333 118.0316 59.9307 32.1182 179.3532 83 R 3.9658 8.0295 116.8826 58.8977 30.0380 178.3294 84 L 4.3205 7.8235 116.8253 54.5854 41.8816 177.2212 85 G 3.8775 8.0199 106.9674 46.2431 0.0000 174.1884 86 L 4.1587 7.8076 119.1732 54.0861 42.4428 178.2302 87 S 4.3972 8.3507 116.7831 57.8277 65.2252 175.2743 88 K 3.8987 8.5534 124.1350 59.9930 31.9971 179.0099 89 E 3.9415 8.1852 118.0341 59.2636 29.3959 179.0909 90 A 4.0202 7.9612 120.6626 55.0475 18.4696 179.7443 91 L 3.9725 8.0239 117.5694 57.9459 41.6922 179.7554 92 L 4.0275 8.2685 119.3374 57.6714 41.4552 179.1858 93 E 3.9552 8.2939 119.4625 59.4157 29.5046 178.9594 94 T 3.8461 8.0648 115.9704 66.4293 68.5038 176.3009 95 L 3.9424 8.0485 122.2019 58.2082 42.0964 179.2074 96 K 4.0158 8.2272 118.4276 59.5164 31.8384 179.4730 97 I 3.7205 7.9955 120.1361 64.1980 37.1440 178.3376 98 A 3.9792 8.2300 121.8568 55.0014 18.2723 179.6840 99 R 3.8250 8.0512 117.2955 59.6220 30.1359 178.5335 100 Q 3.9531 8.3291 119.2772 59.0431 28.9607 177.9908 101 A 3.9609 8.3166 122.1272 55.4523 17.9249 179.6979 102 Q 3.9261 8.0536 115.8951 58.8909 28.6005 178.9214 103 A 4.0215 7.9243 121.4274 55.1290 18.4401 179.1959 104 N 4.2371 8.8707 115.3135 56.6761 38.6698 177.3809 105 A 3.9588 8.2254 122.0163 55.0958 18.1764 179.8450 106 V 3.5823 7.2773 114.8764 66.2372 31.9512 177.9857 107 L 4.2394 7.8063 119.0314 57.7555 41.2280 179.7743 108 G 3.6328 8.0381 104.7051 47.3805 0.0000 174.4755 109 H 4.7076 7.8053 115.6206 56.0821 29.3737 176.1045 110 A 4.3568 7.8972 122.6634 52.2748 18.7511 178.8545 111 A 3.9345 7.9332 120.2905 54.9447 18.2459 178.0391 112 P 4.3274 0.0000 0.0000 65.3371 31.5960 178.4556 113 L 4.1091 7.7800 118.7849 58.1918 42.4138 178.6135 114 L 4.0141 8.1717 119.1999 57.9802 41.2915 179.4068 115 E 4.0484 8.5127 118.0353 58.8321 29.4229 178.7544 116 V 4.1512 7.4385 109.7830 61.1365 32.0226 176.0552 117 L 4.2181 7.6788 124.4732 54.9630 41.5953 176.5211 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 -9 S 8.32 4.39 0.00 4.02 4.07 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 -8 G 7.87 3.74 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 0.00 0.00 0.00 -7 L 9.33 3.94 0.00 1.10 0.74 0.67 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 -6 V 7.11 4.45 2.04 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 0.64 0.00 0.00 0.90 0.00 0.00 -5 P 0.00 4.43 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 -4 R 8.66 4.07 0.00 1.80 1.92 0.00 3.36 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 -3 G 9.13 4.07 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 0.00 0.00 0.00 -2 S 8.04 4.42 0.00 4.01 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 -1 H 7.27 4.46 0.00 3.46 3.45 0.00 5.59 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 -7 D 9.51 4.24 0.00 2.20 1.77 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 -6 R 7.31 4.67 0.00 1.86 1.47 0.00 2.65 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.00 -5 T 8.21 4.36 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 1.21 0.00 0.00 -4 H 8.85 4.46 0.00 3.23 3.32 0.00 8.74 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 E 9.22 4.46 0.00 1.95 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 2.27 2.18 0.00 -2 R 7.96 4.29 0.00 1.98 1.90 0.00 2.21 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 -1 V 6.88 3.85 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 0.79 0.00 0.00 0.93 0.00 0.00 9 L 7.83 4.09 0.00 1.72 1.85 0.92 0.77 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 10 Q 8.04 4.16 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 11 A 7.69 4.25 1.39 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 0.00 0.00 0.00 *13 A 7.96 4.18 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 14 E 8.37 3.90 0.00 2.14 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 2.30 2.26 0.00 15 N 8.56 4.54 0.00 2.70 2.80 0.00 0.00 7.01 7.72 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 16 L 7.95 4.52 0.00 1.64 1.65 0.84 0.94 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 17 G 7.76 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 18 E 8.92 3.99 0.00 1.84 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 0.00 2.31 2.26 0.00 19 G 8.08 3.74 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 0.00 0.00 0.00 20 L 7.64 4.01 0.00 1.67 1.56 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.41 0.00 2.20 1.95 0.00 3.63 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 2.12 2.08 0.00 22 R 8.68 3.89 0.00 1.86 1.92 0.00 3.17 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 23 A 7.97 3.93 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 0.00 0.00 24 I 7.65 3.59 1.94 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 1.60 0.79 0.89 0.00 0.00 25 P 0.00 4.25 0.00 2.14 2.09 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 26 L 7.52 4.01 0.00 1.95 1.70 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.18 3.91 0.00 1.85 1.69 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.79 3.80 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 0.00 0.00 29 E 7.96 3.95 0.00 1.97 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 0.00 2.30 2.33 0.00 30 K 8.37 4.38 0.00 1.76 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.53 7.81 31 A 8.36 4.73 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 32 P 0.00 4.35 0.00 2.28 2.36 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 33 G 8.05 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 0.00 0.00 0.00 34 L 7.89 4.03 0.00 1.80 1.86 0.95 0.48 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 35 L 7.75 3.98 0.00 1.80 1.86 0.94 0.70 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 36 L 8.10 4.09 0.00 1.94 1.75 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.39 4.03 0.00 2.11 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 2.32 2.39 0.00 38 H 8.00 4.39 0.00 3.39 3.60 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.31 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 0.00 0.00 0.00 40 R 8.47 3.59 0.00 1.90 2.07 0.00 3.12 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 0.00 41 S 8.46 4.19 0.00 4.11 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 42 W 8.21 4.07 0.00 3.48 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 43 T 8.03 4.24 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 1.45 0.00 0.00 44 Y 8.07 4.17 0.00 3.00 3.24 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 45 A 7.54 3.79 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 *47 P 0.00 4.25 0.00 2.19 2.05 0.00 3.69 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 1.82 1.89 0.00 48 E 8.91 4.10 0.00 2.00 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 2.36 2.41 0.00 49 K 7.83 4.52 0.00 1.69 1.71 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.39 7.81 50 G 7.82 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 0.00 0.00 0.00 0.00 51 A 8.52 4.18 1.25 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 52 L 7.50 4.82 0.00 1.56 1.52 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.27 4.71 0.00 2.95 2.81 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 54 E 8.63 4.02 0.00 2.03 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 2.44 2.50 0.00 55 K 8.00 3.92 0.00 1.83 1.96 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 56 T 8.48 3.85 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 1.20 0.00 0.00 57 R 8.07 3.89 0.00 2.02 1.96 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 58 T 8.11 3.96 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 1.27 0.00 0.00 59 L 8.19 4.07 0.00 1.69 1.72 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.94 3.69 1.98 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 1.50 0.71 0.87 0.00 0.00 61 L 8.00 3.95 0.00 1.88 1.77 0.77 0.23 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 62 L 8.45 4.08 0.00 1.83 1.88 0.95 0.90 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 63 G 8.39 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 0.00 0.00 0.00 64 I 7.95 3.68 2.00 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 1.44 0.67 0.91 0.00 0.00 65 A 8.09 4.01 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 66 L 8.03 3.92 0.00 1.88 1.74 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.16 4.05 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 68 T 8.02 4.36 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 1.27 0.00 0.00 69 G 7.57 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 0.00 0.00 0.00 70 S 7.96 4.43 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 71 E 8.64 3.94 0.00 2.06 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 2.41 2.40 0.00 72 A 7.99 4.03 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 73 C 7.69 4.22 0.00 3.11 3.06 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 0.00 0.00 0.00 74 V 7.88 3.76 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 0.81 0.00 0.00 1.02 0.00 0.00 75 K 8.22 4.19 0.00 1.91 1.81 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.53 7.81 76 A 8.18 4.27 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 *78 A 7.90 4.22 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 79 H 8.24 4.20 0.00 3.36 3.47 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.34 4.03 0.00 2.04 2.02 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 81 A 8.00 4.01 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 82 K 8.13 3.85 0.00 1.90 1.98 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 83 R 8.03 3.97 0.00 1.94 1.99 0.00 3.32 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 84 L 7.82 4.32 0.00 1.79 1.73 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.02 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 86 L 7.81 4.16 0.00 1.79 1.62 0.93 0.73 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 87 S 8.35 4.40 0.00 4.05 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 K 8.55 3.90 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.54 7.81 89 E 8.19 3.94 0.00 2.02 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 2.40 2.32 0.00 90 A 7.96 4.02 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 91 L 8.02 3.97 0.00 1.85 1.73 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.27 4.03 0.00 1.91 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.29 3.96 0.00 2.15 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 0.00 2.30 2.35 0.00 94 T 8.06 3.85 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 1.26 0.00 0.00 95 L 8.05 3.94 0.00 1.77 1.86 0.93 0.38 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 96 K 8.23 4.02 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.70 7.81 97 I 8.00 3.72 2.03 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 1.45 0.88 0.91 0.00 0.00 98 A 8.23 3.98 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 99 R 8.05 3.83 0.00 1.91 2.12 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 100 Q 8.33 3.95 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 101 A 8.32 3.96 1.39 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 0.00 0.00 0.00 102 Q 8.05 3.93 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 103 A 7.92 4.02 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 0.00 104 N 8.87 4.24 0.00 2.92 2.88 0.00 0.00 6.94 7.67 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 0.00 105 A 8.23 3.96 1.38 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 0.00 0.00 0.00 106 V 7.28 3.58 2.25 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 0.88 0.00 0.00 0.99 0.00 0.00 107 L 7.81 4.24 0.00 1.83 1.70 0.92 0.83 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 0.00 108 G 8.04 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 0.00 0.00 0.00 109 H 7.81 4.71 0.00 3.32 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.90 4.36 1.39 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 0.00 0.00 0.00 111 A 7.93 3.93 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 0.00 112 P 0.00 4.33 0.00 2.04 2.14 0.00 3.77 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 2.04 2.15 0.00 113 L 7.78 4.11 0.00 1.76 1.83 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.17 4.01 0.00 1.83 1.71 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.51 4.05 0.00 2.05 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 2.48 2.50 0.00 116 V 7.44 4.15 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 0.79 0.00 0.00 1.03 0.00 0.00 117 L 7.68 4.22 0.00 1.67 1.57 0.92 0.61 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 * Residues marked with a * may have inaccurate shift predictions.