NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2290 8.1727 122.0574 56.2959 34.1976 174.0460 2 V 4.7585 8.1492 126.1164 60.6015 32.6515 174.5463 3 F 4.3064 9.2952 127.9661 57.4077 40.0967 175.5125 4 G 3.8460 9.2229 109.3297 45.9516 0.0000 174.6463 5 R 3.6621 8.9840 121.2216 59.8402 30.0999 179.8118 6 C 4.3966 8.1489 115.5002 59.6823 37.3768 175.5789 7 E 3.8979 8.1314 120.7767 59.1624 29.2982 178.5311 8 L 3.5148 8.0965 120.2065 57.7895 42.1141 178.5255 9 A 3.9149 7.9024 120.5422 55.1677 18.3164 179.3743 10 A 3.8966 8.1562 118.8954 55.3042 18.5347 179.6190 11 A 3.9272 7.8676 119.1534 55.7180 18.4863 179.7449 12 M 3.8524 8.2962 117.5246 58.2979 31.9533 178.9469 13 K 3.8736 8.0949 119.7367 59.6167 32.1874 179.1646 14 R 3.9737 7.9095 117.0585 58.7619 29.8796 177.6374 15 H 4.7376 7.5138 113.9388 55.1067 28.9209 175.6278 16 G 3.8442 7.6469 107.9922 46.2332 0.0000 175.3219 17 L 3.5473 7.5114 121.7222 55.9350 41.8873 176.5176 18 D 4.5413 7.9302 118.0596 55.6576 41.1697 175.3390 19 N 4.4060 9.4220 122.7183 53.8387 36.9966 173.4118 20 Y 4.0928 8.3967 121.3190 59.1427 39.0724 176.4541 21 R 3.7807 9.1690 124.3100 57.1265 27.8082 177.1533 22 G 3.6850 8.6000 104.8849 45.5564 0.0000 173.5934 23 Y 4.5787 8.0044 119.0759 55.8949 38.4704 175.7473 24 S 5.0469 8.6323 119.4044 57.4241 64.0940 174.8364 25 L 4.2837 9.1016 123.7718 58.9461 41.6556 179.7406 26 G 3.9869 8.4483 104.6603 48.0796 0.0000 175.1022 27 N 4.4312 8.4787 118.6055 56.1048 38.5353 177.5246 28 W 3.7979 7.9880 120.2693 59.4590 29.1814 178.8977 29 V 3.6300 7.7902 117.8192 65.9709 31.2137 178.3169 30 C 2.4500 7.8506 117.9338 59.0509 44.5531 175.3338 31 A 3.8757 7.7009 121.9954 55.1987 17.8102 179.4308 32 A 4.1886 7.9140 120.4813 54.5020 18.4240 179.8540 33 K 3.0190 7.6848 117.9979 59.5261 32.0158 179.2453 34 F 3.9813 7.5584 116.1189 60.2617 38.8060 177.1741 35 E 4.3761 8.2318 117.9414 58.4613 29.8323 177.7837 36 S 4.5044 8.0741 108.9936 57.0911 65.1227 173.7649 37 N 3.6765 8.7162 117.8584 54.7425 37.7562 173.9053 38 F 4.1242 8.0372 111.3688 57.9335 36.3233 173.8695 39 N 5.2745 8.1042 120.9818 52.2746 38.8188 175.9668 40 T 4.0714 9.2154 118.1524 64.2635 69.0374 175.7236 41 Q 4.4022 8.2753 119.0800 55.4850 29.3844 175.2619 42 A 4.4788 7.8251 121.9666 52.0170 19.5793 177.2155 43 T 4.9076 8.3603 110.7938 59.8255 72.3807 172.7393 44 N 4.8815 8.5850 122.1353 51.7545 41.7686 173.3839 45 R 4.3690 8.5948 126.0743 55.9626 30.8878 176.4169 46 N 4.7482 8.9925 122.4133 52.2143 39.8556 176.3903 47 T 3.8790 8.5682 111.5084 64.9604 68.6874 175.1737 48 D 4.4045 7.9152 119.3787 53.5557 39.7756 176.2514 49 G 3.9496 7.7297 108.2286 45.6844 0.0000 174.2882 50 S 4.6209 8.5110 115.4016 58.2317 65.3077 173.1609 51 T 4.9979 8.8385 114.9575 62.0841 73.1035 173.0245 52 D 5.3634 8.7803 124.6219 53.2931 43.1690 175.1544 53 Y 4.8904 9.0415 120.6370 57.3321 41.7462 177.3954 54 G 4.2732 9.0851 111.9406 44.8289 0.0000 173.7838 55 I 4.2316 8.2862 109.9698 62.8249 37.3317 177.1472 56 L 4.5486 7.9838 117.5815 53.4817 42.4548 176.2401 57 Q 3.5022 8.0434 117.1816 57.0190 26.7267 174.2336 58 I 4.2443 8.1194 119.1603 60.9206 39.2873 177.0128 59 N 5.4260 9.0863 126.0044 53.4789 40.0383 175.4514 60 S 4.6469 9.0526 119.2732 59.8946 63.5892 175.1807 61 R 3.6738 8.1494 121.9801 58.7007 30.4099 178.0240 62 W 4.6340 7.8525 115.1937 55.9106 32.0197 176.6209 63 W 4.7320 7.9915 117.1599 57.5322 29.5358 173.3958 64 C 5.4415 7.9194 110.4160 53.8722 45.2598 172.4333 65 N 4.8271 8.8573 119.2624 52.1569 39.2551 174.4400 66 D 4.8067 8.6670 123.9708 52.3564 40.0029 176.7226 67 G 3.9481 8.2817 106.4354 46.4777 0.0000 174.2619 68 R 4.6552 8.5934 112.6512 55.6622 30.8782 176.2075 69 T 4.5136 7.4742 115.5047 60.3988 68.5677 170.3801 70 P 4.2555 0.0000 0.0000 64.2854 32.0817 177.3259 71 G 3.8474 8.8398 110.4826 45.5321 0.0000 173.4574 72 S 4.0715 7.4433 115.3582 58.2943 63.5481 173.2464 73 R 4.5898 7.5927 120.0166 54.9429 32.7792 176.4047 74 N 5.0263 7.9838 115.3164 52.1144 38.7727 175.0043 75 L 4.0173 8.5949 120.7331 57.7282 42.3636 178.2817 76 C 4.5410 8.3760 113.7130 56.5610 41.0981 172.8055 77 N 4.1806 8.1834 118.1457 53.7439 37.3318 172.9387 78 I 4.6492 8.2833 112.1855 58.6229 41.6354 173.4116 79 P 4.7959 0.0000 0.0000 62.5331 32.2417 178.1299 80 C 4.0088 8.6258 118.8639 59.9810 41.0146 176.6963 81 S 3.8744 7.9384 115.1845 61.2351 62.1842 176.2083 82 A 4.0451 7.8377 123.5237 54.5046 17.8434 178.5196 83 L 4.3684 7.9004 116.0073 55.2295 41.7314 177.7424 84 L 5.4708 7.5662 117.5908 53.7707 42.5827 176.6919 85 S 4.3812 7.7475 113.2716 58.1903 62.8914 173.9261 86 S 4.3597 8.5166 118.5396 59.5041 62.9583 173.9256 87 D 4.7482 8.2600 121.6537 52.6951 40.7376 176.3510 88 I 4.0093 8.2257 120.0870 61.7047 37.5716 177.2026 89 T 3.5738 8.2677 119.3298 67.1892 68.3728 175.8322 90 A 3.9552 7.8984 121.6125 55.3757 18.3942 179.7029 91 S 4.0907 7.9253 113.1282 61.5875 62.8858 177.0047 92 V 3.3040 7.8822 121.1458 66.0435 31.1382 177.8099 93 N 4.1532 8.2353 116.5561 56.4777 38.3348 176.6194 94 C 4.2770 8.3037 119.6531 59.4142 44.5068 175.4076 95 A 4.1432 8.1904 122.6400 55.1630 17.7258 179.7303 96 K 3.7472 7.8339 116.2947 59.5103 32.1853 179.4420 97 K 4.2184 7.7157 118.8146 59.2564 31.9729 179.5328 98 I 2.9157 7.5487 120.3574 64.0560 36.7862 178.7401 99 V 4.0516 7.9857 117.5371 63.6961 31.2117 177.2446 100 S 4.6701 7.6474 115.3316 58.7474 63.0403 175.1358 101 D 4.2377 7.9126 121.5588 55.4098 41.2991 175.8245 102 G 4.3048 7.6152 108.8332 45.6876 0.0000 174.5384 103 N 4.6762 8.6387 112.6783 53.3263 42.0674 175.3244 104 G 4.2927 8.0516 106.5204 46.2897 0.0000 174.2472 105 M 4.0716 7.2479 117.6015 56.3491 31.6999 177.9369 106 N 4.8504 7.5814 115.2910 55.6832 38.8061 176.1164 107 A 3.8363 7.4723 120.4051 53.7409 18.5161 177.8254 108 W 4.4864 8.3666 116.7746 54.7047 30.1663 176.4048 109 V 3.6166 8.3955 124.5561 65.7780 31.0092 177.3061 110 A 3.9525 8.1839 120.1406 54.8904 18.2067 179.2930 111 W 3.7594 8.1168 126.1981 60.4461 30.7007 177.8227 112 R 3.4602 8.2000 117.5440 59.6456 29.5971 177.7928 113 N 4.4092 8.3618 114.5746 54.8316 38.8191 176.6741 114 R 4.1554 7.4891 116.4513 55.5949 32.0413 175.6343 115 C 4.5304 7.0664 114.6843 57.7587 42.3969 174.2449 116 K 3.3698 6.4962 120.3084 57.7857 31.6088 176.8613 117 G 3.8408 8.8860 114.2785 45.5256 0.0000 172.8156 118 T 4.3970 7.2923 109.7477 60.1802 71.3791 175.8369 119 D 4.6995 8.1898 120.3217 53.2360 37.9035 176.5481 120 V 4.1036 7.8451 116.6373 64.1829 32.1112 177.5754 121 Q 4.1406 8.3504 118.7377 58.9502 28.4768 177.8801 122 A 4.0389 8.2711 121.9005 54.7510 18.0900 179.3949 123 W 4.2247 8.3196 116.7364 58.4832 29.2647 176.9489 124 I 4.5309 7.7243 110.9532 60.2610 37.7443 175.5010 125 R 4.0052 7.6118 120.8302 57.7400 30.2700 177.0949 126 G 3.9510 9.0106 109.9704 45.5945 0.0000 173.7193 127 C 4.8237 7.3971 116.6876 55.1282 41.5191 173.8026 128 R 3.7603 8.2171 124.1168 59.7221 30.2675 177.6260 *129 L 4.1415 7.6040 122.2601 54.5800 41.6082 178.8005 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 K 8.17 4.23 0.00 1.77 1.69 0.00 1.32 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.21 7.81 2 V 8.15 4.76 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 1.03 0.00 0.00 0.99 0.00 0.00 3 F 9.30 4.31 0.00 2.88 2.80 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 4 G 9.22 3.85 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 0.00 0.00 0.00 5 R 8.98 3.66 0.00 2.18 2.06 0.00 3.54 0.00 0.00 3.62 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 6 C 8.15 4.40 0.00 3.03 3.14 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 7 E 8.13 3.90 0.00 2.08 2.31 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 2.77 2.47 0.00 8 L 8.10 3.51 0.00 1.42 1.30 0.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.90 3.91 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 10 A 8.16 3.90 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 11 A 7.87 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 12 M 8.30 3.85 0.00 1.83 2.13 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.33 0.00 13 K 8.09 3.87 0.00 1.81 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.47 7.81 14 R 7.91 3.97 0.00 1.84 1.84 0.00 3.15 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 15 H 7.51 4.74 0.00 2.98 3.13 0.00 5.72 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 16 G 7.65 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 L 7.51 3.55 0.00 1.35 0.43 0.23 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.93 4.54 0.00 2.63 2.63 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 19 N 9.42 4.41 0.00 3.05 2.96 0.00 0.00 6.20 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 20 Y 8.40 4.09 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.17 3.78 0.00 2.34 2.06 0.00 3.43 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.68 0.00 22 G 8.60 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.00 4.58 0.00 3.38 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 24 S 8.63 5.05 0.00 4.12 4.11 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 25 L 9.10 4.28 0.00 2.12 1.86 1.00 1.20 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 26 G 8.45 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 0.00 0.00 0.00 27 N 8.48 4.43 0.00 2.70 2.45 0.00 0.00 6.92 7.27 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 28 W 7.99 3.80 0.00 3.44 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 29 V 7.79 3.63 2.21 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 1.29 0.00 0.00 1.00 0.00 0.00 30 C 7.85 2.45 0.00 2.16 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 31 A 7.70 3.88 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 32 A 7.91 4.19 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.68 3.02 0.00 1.11 1.21 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.04 7.81 34 F 7.56 3.98 0.00 3.01 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 35 E 8.23 4.38 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 2.56 2.55 0.00 36 S 8.07 4.50 0.00 4.11 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 0.00 37 N 8.72 3.68 0.00 2.78 2.88 0.00 0.00 7.17 7.13 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 38 F 8.04 4.12 0.00 3.40 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 39 N 8.10 5.27 0.00 2.85 2.83 0.00 0.00 6.99 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.22 4.07 4.51 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 1.61 0.00 0.00 41 Q 8.28 4.40 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 42 A 7.83 4.48 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 43 T 8.36 4.91 3.85 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 1.26 0.00 0.00 44 N 8.59 4.88 0.00 2.89 2.67 0.00 0.00 7.20 7.27 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 45 R 8.59 4.37 0.00 1.72 1.84 0.00 3.34 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 46 N 8.99 4.75 0.00 3.01 2.73 0.00 0.00 6.30 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 47 T 8.57 3.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 D 7.92 4.40 0.00 2.78 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 49 G 7.73 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 50 S 8.51 4.62 0.00 3.92 3.96 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 51 T 8.84 5.00 4.08 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 0.51 0.00 0.00 52 D 8.78 5.36 0.00 2.71 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 53 Y 9.04 4.89 0.00 2.91 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 54 G 9.09 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 0.00 0.00 0.00 0.00 55 I 8.29 4.23 1.92 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.55 1.00 0.00 0.00 56 L 7.98 4.55 0.00 1.77 1.89 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.04 3.50 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 58 I 8.12 4.24 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.91 1.04 0.00 0.00 59 N 9.09 5.43 0.00 3.01 3.00 0.00 0.00 6.98 7.14 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 60 S 9.05 4.65 0.00 4.01 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 0.00 61 R 8.15 3.67 0.00 1.92 1.41 0.00 3.25 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.24 0.00 62 W 7.85 4.63 0.00 1.86 2.34 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 0.00 63 W 7.99 4.73 0.00 3.67 3.34 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 0.00 64 C 7.92 5.44 0.00 3.19 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 65 N 8.86 4.83 0.00 2.74 2.68 0.00 0.00 7.17 8.11 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 66 D 8.67 4.81 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.28 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 68 R 8.59 4.66 0.00 1.89 1.98 0.00 3.24 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 69 T 7.47 4.51 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 1.12 0.00 0.00 70 P 0.00 4.26 0.00 1.99 1.99 0.00 3.68 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 2.01 2.09 0.00 71 G 8.84 3.85 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 0.00 0.00 0.00 72 S 7.44 4.07 0.00 3.89 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 73 R 7.59 4.59 0.00 1.75 1.78 0.00 3.27 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 74 N 7.98 5.03 0.00 2.71 2.61 0.00 0.00 6.89 6.66 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 75 L 8.59 4.02 0.00 1.72 1.84 0.32 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.38 4.54 0.00 3.41 3.22 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 0.00 0.00 0.00 0.00 77 N 8.18 4.18 0.00 2.78 2.80 0.00 0.00 6.91 8.04 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 78 I 8.28 4.65 1.87 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 1.40 0.58 0.96 0.00 0.00 79 P 0.00 4.80 0.00 2.18 2.18 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 80 C 8.63 4.01 0.00 2.15 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 81 S 7.94 3.87 0.00 4.03 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 82 A 7.84 4.05 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 83 L 7.90 4.37 0.00 1.89 1.79 1.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.57 5.47 0.00 1.80 1.77 1.09 1.01 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 85 S 7.75 4.38 0.00 3.85 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 86 S 8.52 4.36 0.00 3.91 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 87 D 8.26 4.75 0.00 2.62 2.62 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 88 I 8.23 4.01 1.69 0.00 0.00 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 1.52 0.38 0.69 0.00 0.00 89 T 8.27 3.57 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 1.21 0.00 0.00 90 A 7.90 3.96 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 91 S 7.93 4.09 0.00 3.95 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 92 V 7.88 3.30 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 0.80 0.00 0.00 0.73 0.00 0.00 93 N 8.24 4.15 0.00 2.73 2.81 0.00 0.00 6.73 8.03 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 94 C 8.30 4.28 0.00 3.13 3.08 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 95 A 8.19 4.14 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 0.00 0.00 96 K 7.83 3.75 0.00 1.69 1.65 0.00 1.33 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 1.00 7.81 97 K 7.72 4.22 0.00 1.94 1.98 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.69 7.81 98 I 7.55 2.92 1.61 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.05 -0.13 0.00 0.00 99 V 7.99 4.05 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.08 0.00 0.00 100 S 7.65 4.67 0.00 4.11 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 0.00 101 D 7.91 4.24 0.00 2.91 2.80 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 0.00 102 G 7.62 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 0.00 0.00 0.00 0.00 103 N 8.64 4.68 0.00 2.68 2.68 0.00 0.00 6.94 8.30 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 0.00 104 G 8.05 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 0.00 0.00 0.00 0.00 105 M 7.25 4.07 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.21 0.00 106 N 7.58 4.85 0.00 3.23 2.99 0.00 0.00 6.88 7.23 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 0.00 107 A 7.47 3.84 0.81 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 0.00 0.00 108 W 8.37 4.49 0.00 3.55 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 0.00 109 V 8.40 3.62 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 0.92 0.00 0.00 0.96 0.00 0.00 110 A 8.18 3.95 1.51 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 0.00 0.00 111 W 8.12 3.76 0.00 3.23 3.39 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 0.00 112 R 8.20 3.46 0.00 2.02 2.14 0.00 3.33 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 1.59 1.89 0.00 113 N 8.36 4.41 0.00 2.54 2.73 0.00 0.00 6.93 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.49 4.16 0.00 0.67 0.66 0.00 3.01 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.09 0.00 115 C 7.07 4.53 0.00 2.31 2.80 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 0.00 116 K 6.50 3.37 0.00 0.79 1.06 0.00 1.66 0.00 0.00 1.47 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.18 1.12 7.81 117 G 8.89 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 0.00 118 T 7.29 4.40 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 0.00 119 D 8.19 4.70 0.00 2.79 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 0.00 120 V 7.85 4.10 2.35 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 0.85 0.00 0.00 1.07 0.00 0.00 121 Q 8.35 4.14 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 122 A 8.27 4.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.32 4.22 0.00 3.53 3.44 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 0.00 124 I 7.72 4.53 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.31 1.06 0.00 0.00 125 R 7.61 4.01 0.00 1.94 1.90 0.00 3.16 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 126 G 9.01 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 0.00 127 C 7.40 4.82 0.00 3.10 3.04 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 0.00 128 R 8.22 3.76 0.00 1.79 1.93 0.00 3.30 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 *129 L 7.60 4.14 0.00 1.41 1.48 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.