NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 3.9995 8.2985 121.4254 56.0795 31.8739 177.2811 15 A 3.7996 8.0136 125.9023 54.5480 19.4325 178.0289 16 G 3.8384 8.7307 104.8866 48.4697 0.0000 173.4588 17 I 3.7036 7.2014 120.2278 63.6360 37.3086 177.4344 18 T 3.9157 7.7834 117.2616 62.4836 69.0122 175.0668 19 G 3.5844 7.2484 113.1314 45.5577 0.0000 170.4816 20 T 4.8820 7.4695 116.1876 61.5990 71.0965 173.9229 21 W 5.4162 9.1108 124.7939 55.1731 33.9401 173.8238 22 Y 6.1618 9.4243 119.3272 55.4893 41.7786 174.9932 23 N 5.9433 8.9635 120.3874 50.3466 40.1695 175.4499 24 Q 4.0602 8.6134 115.7931 58.7781 28.7581 177.2484 25 L 4.0968 8.0689 117.2413 55.7360 42.0359 177.7020 26 G 3.9060 8.3123 106.9009 45.1598 0.0000 173.8122 27 S 4.6523 8.2591 115.8341 58.5679 64.6047 173.1750 28 T 5.2775 8.7883 118.6379 61.8477 71.5280 172.9746 29 F 5.1265 9.3579 128.6934 56.4696 42.3017 173.5278 30 I 4.7951 8.6666 128.0703 59.3818 39.5095 175.2760 31 V 4.5818 8.3021 125.8274 60.0493 35.2854 174.3391 32 T 4.6999 8.8222 118.8875 61.6958 71.6150 172.7188 33 A 4.7066 8.6155 129.0174 50.2877 20.1478 177.0893 34 G 3.9209 9.3354 112.2989 44.5220 0.0000 174.4596 35 A 4.5602 8.7583 122.6618 54.1260 18.4873 178.4320 36 D 4.4629 8.0327 113.0957 53.8067 40.0606 177.1875 37 G 3.3075 8.3367 109.2640 44.8110 0.0000 173.1147 38 A 4.7445 8.1925 121.9825 51.5349 20.1493 176.6971 39 L 5.3149 8.9293 121.2266 53.1663 44.7856 175.8998 40 T 4.9548 9.0299 112.7102 59.4561 72.5373 174.3980 41 G 4.0157 7.2884 109.3908 46.5383 0.0000 171.2909 42 T 5.3063 7.9102 111.0014 60.2329 72.9069 172.8247 43 Y 5.1304 9.2755 123.6350 55.8736 42.5961 173.5906 44 E 5.3679 9.1875 127.1344 54.6462 32.4840 174.2651 45 S 5.1852 9.3509 122.0173 57.3439 63.1214 174.1334 46 A 4.2152 9.1141 129.8997 54.1212 18.4910 177.3661 47 V 4.3860 7.3369 107.4371 60.2990 35.7071 176.1055 48 G 3.5594 8.4327 108.5188 44.8180 0.0000 173.4918 49 N 4.5446 7.9506 114.6370 51.3638 37.2514 174.1043 50 A 4.9148 7.4905 121.6418 50.7033 22.6172 175.8617 51 E 4.7272 9.4431 118.8355 56.0097 32.9084 177.0066 52 S 3.7847 8.4963 115.4061 57.9843 62.0317 170.0935 53 R 4.9775 8.2714 116.8013 55.7673 31.4662 175.7216 54 Y 4.7753 9.0621 119.3487 55.7567 41.9234 175.3736 55 V 4.2720 8.6178 122.7761 63.1067 32.3733 175.0382 56 L 5.2350 8.9059 126.7972 54.4323 43.9801 175.1530 57 T 4.9288 8.5339 113.6599 61.3425 71.4598 173.4098 58 G 4.5243 8.6185 111.7882 46.4916 0.0000 172.0980 59 R 5.5828 8.7459 117.6468 54.9820 34.8950 174.0705 60 Y 5.3003 8.6706 118.6446 55.1940 42.0879 174.6759 61 D 4.2886 9.0689 120.5001 54.3623 40.5950 176.6436 62 S 4.3240 8.1475 120.5094 58.7028 63.9771 174.5935 63 A 4.6415 8.1813 123.4945 50.3786 18.6249 173.2767 64 P 5.1693 0.0000 0.0000 60.6138 33.0499 176.9330 65 A 4.2169 8.3418 121.4996 52.6407 18.7109 177.3762 66 T 4.5524 8.4610 109.8080 61.5578 69.0970 174.4379 67 D 4.7218 8.2681 119.2325 53.6375 39.5478 176.7866 68 G 3.9655 8.4820 106.3393 45.9753 0.0000 174.0329 69 S 4.5584 7.6243 115.2443 57.0703 63.9652 174.2444 70 G 4.1503 8.3637 109.8784 46.0731 0.0000 172.7709 71 T 4.8226 8.9849 117.0534 61.6032 70.2517 174.8331 72 A 4.8764 8.7256 129.0698 52.2390 20.0082 175.8209 73 L 5.0067 8.9303 119.8050 55.6014 44.6017 173.9015 74 G 4.6527 9.2456 105.5170 45.7653 0.0000 172.0367 75 W 5.7952 8.5806 116.8468 55.6803 32.3833 173.4424 76 T 5.2133 9.3155 116.7368 61.7930 72.0864 173.3155 77 V 4.6602 8.7220 124.4308 60.9466 34.3342 173.9645 78 A 4.5896 8.3590 129.6321 49.7971 20.1132 177.6036 79 W 4.2188 8.6362 125.4368 56.3987 28.7875 176.5632 80 K 5.1976 8.0120 118.4749 54.6780 34.5186 174.2941 81 N 4.9913 8.9683 123.1917 51.9308 39.9373 174.6539 82 N 4.5467 8.5010 117.2782 54.0149 38.4098 175.1825 83 Y 4.7202 8.0480 116.2064 58.0475 40.5415 175.6431 84 R 4.6310 7.6205 118.1679 55.2895 33.3886 173.1559 85 N 5.2928 8.5660 120.3130 52.2417 41.0688 173.8881 86 A 4.2938 9.0335 128.4510 51.8459 20.1437 175.9996 87 H 4.1595 8.5151 113.2932 55.8231 26.6757 173.2978 88 S 5.2014 7.4500 111.8436 57.9450 66.8516 174.5877 89 A 5.0538 9.1306 121.2530 50.9699 22.8064 175.3046 90 T 4.9489 8.8548 118.3496 61.7393 71.8590 173.3486 91 T 4.9183 8.4028 115.2682 59.6288 71.9576 172.7804 92 W 4.9397 8.6928 124.4962 54.8127 31.8246 174.6098 93 S 4.9849 8.7045 119.5621 56.7260 64.8952 173.2119 94 G 4.6172 8.5007 112.5834 46.6603 0.0000 171.6600 95 Q 5.3380 8.4567 117.8694 54.8521 32.2237 173.5506 96 Y 4.7650 9.2647 123.5752 56.8382 40.7694 174.1697 97 V 4.1651 8.5605 127.0861 61.2205 33.8230 175.2449 98 G 3.9492 7.9719 116.7898 44.6293 0.0000 170.8404 99 G 3.8642 8.8666 104.7300 44.1853 0.0000 174.3190 100 A 4.1506 8.3628 120.3293 54.0722 18.8248 177.8425 101 E 4.6241 7.2028 113.5824 54.3741 29.1576 175.3842 102 A 4.4902 7.6596 123.0618 52.0731 20.4582 177.4427 103 R 5.2974 9.0955 118.9069 54.6605 35.2882 174.4019 104 I 5.0324 9.0966 122.6260 59.8498 40.1839 174.1490 105 N 5.5221 9.2261 125.6550 51.8825 40.5113 174.4466 106 T 5.3437 9.0549 113.0030 60.2180 73.0355 172.7226 107 Q 5.0841 9.0133 121.0385 53.9932 32.5782 174.6682 108 W 5.4932 8.4573 117.7626 54.8563 32.4399 173.7601 109 L 5.1737 8.7896 120.3341 52.9854 44.8094 175.2578 110 L 4.9281 9.3296 127.0058 53.8228 44.0699 174.8593 111 T 4.9682 8.7793 124.3077 62.1431 70.5391 174.2223 112 S 5.0083 8.8449 123.2222 56.7348 64.6508 174.5732 113 G 3.8944 8.8079 112.0689 46.8134 0.0000 172.9154 114 T 4.7949 8.2578 113.0952 59.5102 72.5381 173.2557 115 T 4.3085 8.0755 111.8126 61.0441 70.0567 175.3445 116 E 3.9712 8.8460 121.2342 59.6859 29.1899 179.5733 117 A 4.2019 7.4672 117.1771 54.3096 18.6946 178.3289 118 N 4.7016 7.7885 112.7454 53.2834 39.0906 176.7435 119 A 4.2471 8.1423 125.8712 54.0527 18.1747 179.9922 120 W 4.2697 8.3439 113.9744 58.5856 28.3430 176.8577 121 K 4.0637 6.6024 117.6013 56.1200 32.1351 177.5215 122 S 4.1642 7.7847 116.8099 61.0343 63.4325 173.5187 123 T 5.0812 7.5374 117.0578 61.6756 71.0597 173.5433 124 L 4.7591 8.9441 126.9398 53.4633 43.9827 176.0420 125 V 4.4112 7.7998 120.5338 60.3504 34.4463 175.2393 126 G 3.1457 6.2870 107.7968 45.8226 0.0000 171.0564 127 H 5.3563 8.0702 114.3149 54.1255 31.6398 172.6548 128 D 5.2899 9.2235 120.8348 52.8882 45.1632 174.6136 129 T 5.1533 9.0037 118.8739 61.9294 71.3882 173.0642 130 F 5.5107 9.6914 125.7326 56.2678 41.7953 174.8061 131 T 5.1623 9.1666 119.8277 61.6907 71.1139 173.5536 132 K 3.5658 8.0972 127.1367 55.6849 33.0433 176.3040 133 V 4.2698 7.8608 123.3283 60.2010 33.4905 176.7771 *134 K 4.1053 8.2868 126.1428 55.0804 32.3481 171.7323 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 14 E 8.30 4.00 0.00 2.10 1.83 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 2.26 2.44 0.00 15 A 8.01 3.80 1.29 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 0.00 0.00 16 G 8.73 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 0.00 0.00 0.00 17 I 7.20 3.70 1.27 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.36 0.46 0.00 0.00 18 T 7.78 3.92 4.16 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 1.10 0.00 0.00 19 G 7.25 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 0.00 0.00 0.00 20 T 7.47 4.88 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 0.77 0.00 0.00 21 W 9.11 5.42 0.00 3.27 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 22 Y 9.42 6.16 0.00 2.95 2.75 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 23 N 8.96 5.94 0.00 2.49 1.77 0.00 0.00 6.49 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.61 4.06 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.07 4.10 0.00 1.88 1.80 1.01 1.00 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 26 G 8.31 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 27 S 8.26 4.65 0.00 4.14 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 28 T 8.79 5.28 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 29 F 9.36 5.13 0.00 2.56 2.86 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 0.00 0.00 0.00 30 I 8.67 4.80 1.76 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 1.15 0.44 0.78 0.00 0.00 31 V 8.30 4.58 0.67 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 0.07 0.00 0.00 0.52 0.00 0.00 32 T 8.82 4.70 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 33 A 8.62 4.71 0.64 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 34 G 9.34 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 35 A 8.76 4.56 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 36 D 8.03 4.46 0.00 2.77 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 37 G 8.34 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 38 A 8.19 4.74 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 39 L 8.93 5.31 0.00 1.65 1.49 1.11 0.45 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 40 T 9.03 4.95 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 1.21 0.00 0.00 41 G 7.29 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 42 T 7.91 5.31 4.31 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 1.22 0.00 0.00 43 Y 9.28 5.13 0.00 3.04 2.88 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 44 E 9.19 5.37 0.00 2.13 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 2.31 2.54 0.00 45 S 9.35 5.19 0.00 4.24 3.77 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 46 A 9.11 4.22 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 47 V 7.34 4.39 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 0.72 0.00 0.00 0.86 0.00 0.00 48 G 8.43 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 0.00 0.00 0.00 49 N 7.95 4.54 0.00 2.58 2.61 0.00 0.00 6.59 7.96 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 50 A 7.49 4.91 1.05 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 0.00 0.00 51 E 9.44 4.73 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 52 S 8.50 3.78 0.00 3.86 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 53 R 8.27 4.98 0.00 1.75 1.89 0.00 3.22 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 54 Y 9.06 4.78 0.00 2.89 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 55 V 8.62 4.27 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 8.91 5.24 0.00 2.03 1.80 0.82 0.43 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 57 T 8.53 4.93 4.28 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 1.26 0.00 0.00 58 G 8.62 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.75 5.58 0.00 1.77 1.79 0.00 3.28 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.67 5.30 0.00 3.06 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 61 D 9.07 4.29 0.00 2.81 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 62 S 8.15 4.32 0.00 3.86 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 63 A 8.18 4.64 1.21 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 0.00 0.00 64 P 0.00 5.17 0.00 2.28 2.19 0.00 3.44 0.00 0.00 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 65 A 8.34 4.22 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 66 T 8.46 4.55 4.27 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 1.24 0.00 0.00 67 D 8.27 4.72 0.00 2.79 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 68 G 8.48 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 69 S 7.62 4.56 0.00 3.90 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 70 G 8.36 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.98 4.82 4.56 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 1.45 0.00 0.00 72 A 8.73 4.88 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 73 L 8.93 5.01 0.00 2.11 1.95 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.25 4.65 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 0.00 0.00 0.00 75 W 8.58 5.80 0.00 3.54 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 76 T 9.32 5.21 4.29 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 1.18 0.00 0.00 77 V 8.72 4.66 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 -0.54 0.00 0.00 0.81 0.00 0.00 78 A 8.36 4.59 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 79 W 8.64 4.22 0.00 3.31 2.92 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 80 K 8.01 5.20 0.00 1.91 1.74 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.44 7.81 81 N 8.97 4.99 0.00 2.74 2.50 0.00 0.00 6.58 6.47 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 82 N 8.50 4.55 0.00 1.97 2.36 0.00 0.00 6.56 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 83 Y 8.05 4.72 0.00 3.02 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 84 R 7.62 4.63 0.00 2.05 1.96 0.00 3.23 0.00 0.00 3.42 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 85 N 8.57 5.29 0.00 2.68 2.57 0.00 0.00 6.93 7.96 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 86 A 9.03 4.29 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.52 4.16 0.00 3.37 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.45 5.20 0.00 4.00 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 89 A 9.13 5.05 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 90 T 8.85 4.95 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 -0.35 0.00 0.00 91 T 8.40 4.92 4.16 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 1.16 0.00 0.00 92 W 8.69 4.94 0.00 1.78 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 0.00 0.00 0.00 93 S 8.70 4.98 0.00 3.80 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 94 G 8.50 4.62 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 95 Q 8.46 5.34 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.26 4.76 0.00 3.05 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 97 V 8.56 4.17 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 0.86 0.00 0.00 0.93 0.00 0.00 98 G 7.97 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 99 G 8.87 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.36 4.15 1.29 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 0.00 0.00 101 E 7.20 4.62 0.00 1.95 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 2.23 2.21 0.00 102 A 7.66 4.49 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 0.00 103 R 9.10 5.30 0.00 1.79 1.94 0.00 3.40 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 104 I 9.10 5.03 1.73 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.17 1.08 0.00 0.00 105 N 9.23 5.52 0.00 2.73 2.81 0.00 0.00 6.06 6.59 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 0.00 106 T 9.05 5.34 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 107 Q 9.01 5.08 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 108 W 8.46 5.49 0.00 2.57 2.33 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 0.00 109 L 8.79 5.17 0.00 1.52 1.54 0.88 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.33 4.93 0.00 1.55 1.69 0.90 0.29 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 0.00 111 T 8.78 4.97 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 1.19 0.00 0.00 112 S 8.84 5.01 0.00 3.66 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 0.00 113 G 8.81 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 0.00 114 T 8.26 4.79 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 1.20 0.00 0.00 115 T 8.08 4.31 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 1.21 0.00 0.00 116 E 8.85 3.97 0.00 2.05 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 2.41 2.39 0.00 117 A 7.47 4.20 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 0.00 118 N 7.79 4.70 0.00 2.71 2.68 0.00 0.00 6.73 7.22 0.00 0.00 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 A 8.14 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 0.00 120 W 8.34 4.27 0.00 3.58 3.25 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 0.00 121 K 6.60 4.06 0.00 1.12 0.74 0.00 1.15 0.00 0.00 0.96 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.73 7.81 122 S 7.78 4.16 0.00 4.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.54 5.08 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 1.24 0.00 0.00 124 L 8.94 4.76 0.00 1.79 1.74 0.94 0.91 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 0.00 125 V 7.80 4.41 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 0.54 0.00 0.00 0.63 0.00 0.00 126 G 6.29 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.07 5.36 0.00 3.17 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.22 5.29 0.00 2.98 2.28 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 0.00 129 T 9.00 5.15 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 1.38 0.00 0.00 130 F 9.69 5.51 0.00 3.15 3.38 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 0.00 131 T 9.17 5.16 4.43 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 1.28 0.00 0.00 132 K 8.10 3.57 0.00 0.79 1.10 0.00 1.21 0.00 0.00 1.35 0.00 0.00 2.61 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.71 0.21 7.81 133 V 7.86 4.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.46 0.00 0.00 *134 K 8.29 4.11 0.00 1.73 1.50 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.27 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.