NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.3930 8.3044 118.1931 55.0142 32.5284 174.2042 9 R 4.3435 8.2193 120.3218 53.7474 31.7319 174.1111 10 I 3.9678 8.4729 127.5864 61.9262 38.3693 175.7192 11 T 4.6688 8.3879 115.8774 61.5015 69.2444 174.8076 12 Q 4.1866 7.9828 120.2746 57.0016 29.6264 176.6437 13 G 4.0793 8.5214 105.8183 46.0769 0.0000 174.3611 14 T 3.7402 8.5939 118.1904 65.6055 68.6584 175.5526 15 F 5.1181 7.8697 118.1681 57.2125 40.3743 176.5079 16 S 4.4179 8.5282 117.1256 60.6962 62.5868 174.9807 17 F 4.2656 8.3168 117.6241 57.5828 39.4225 175.4848 18 L 4.7736 7.9289 121.0283 51.9860 43.5174 174.6205 19 P 4.3939 0.0000 0.0000 62.4515 31.8425 176.3446 20 D 4.4503 8.6542 120.2461 54.7885 41.1644 177.1070 21 L 4.8103 8.7156 123.4076 54.5188 42.5976 177.3907 22 T 4.4041 8.3297 112.2711 60.9185 71.6414 175.5372 23 D 4.6115 8.7648 122.3486 57.9189 40.8436 178.9543 24 E 3.9152 8.1210 119.2417 59.3858 29.8666 178.4921 25 Q 3.9371 8.4255 118.1589 59.0056 28.7712 179.1967 26 I 3.6810 8.2345 121.0030 64.4223 37.2288 178.0983 27 K 3.8940 8.1762 120.3260 59.8228 31.9017 178.7871 28 K 4.1614 7.9204 118.2097 59.6216 31.9763 179.4203 29 Q 4.0493 8.0791 118.3183 58.8954 28.5273 178.7877 30 I 3.9761 8.2655 121.4053 64.2010 37.0741 178.2096 31 D 4.3919 8.1074 120.2102 57.3698 40.4244 177.9918 32 Y 4.1634 7.8416 119.0734 61.1382 39.1015 177.8647 33 M 4.0096 8.1768 119.5119 58.3235 31.6247 178.8463 34 I 3.7926 7.8465 120.3965 64.1121 37.0739 178.0910 35 S 4.3708 7.9055 113.1650 59.6278 62.9464 174.8369 36 K 4.3923 7.3407 121.5947 55.6091 32.3300 175.9071 37 K 3.8552 7.3904 115.4841 57.3167 30.2741 175.0339 38 L 4.7977 7.7570 115.9186 53.8986 43.4434 176.8232 39 A 4.5525 9.0647 124.8371 51.4610 19.9373 176.3229 40 I 4.9246 8.7904 123.4866 59.5645 40.1628 175.1942 41 G 4.2125 8.8933 112.1673 44.6685 0.0000 171.0920 42 I 5.2663 8.3656 119.9636 59.4246 40.6476 174.6876 43 E 5.5607 9.1374 125.1972 55.1622 34.2164 174.0846 44 Y 6.1773 8.8969 118.9724 57.0818 42.0271 173.4162 45 T 4.7182 7.9632 108.7521 61.0812 71.8001 172.4858 46 N 5.2051 8.5858 117.5985 52.5792 38.0762 174.8245 47 D 4.6642 7.4149 117.9814 53.6881 41.2593 174.5445 48 I 4.3036 7.6891 116.5206 60.5099 38.1391 176.6200 49 H 4.2855 8.2264 121.1277 56.5900 30.0682 174.4148 50 P 4.2412 0.0000 0.0000 65.3071 31.5904 177.0598 51 R 4.2438 7.8199 117.5314 56.3090 28.6967 175.3312 *64 N 4.8052 8.0270 117.2295 53.6199 38.6216 174.3672 65 A 3.8263 8.1159 125.5175 53.4681 18.9116 177.6814 66 Y 4.7943 6.8464 113.3232 55.7838 37.7970 175.4344 67 W 4.6170 8.3901 123.1741 55.9271 30.6309 175.7341 68 E 4.1498 8.7825 122.2252 56.6118 29.9965 176.0807 69 I 4.7054 8.1800 116.6980 59.5753 39.6572 175.8535 70 W 4.6570 9.4345 135.0000 56.7516 29.4656 176.3884 71 G 3.8012 8.3978 116.6519 43.5549 0.0000 170.5731 72 L 4.1857 8.1146 118.6131 53.7756 42.1039 175.4451 73 P 4.4649 0.0000 0.0000 62.1546 32.4436 175.4898 74 L 4.3540 9.2442 119.8710 53.7327 42.3103 177.9078 75 F 4.7034 8.7624 122.3684 58.7652 39.8030 176.2430 76 D 5.0216 7.8855 119.0809 53.2871 41.6786 175.9346 77 V 3.6029 8.1182 117.6686 64.3466 31.5880 175.5556 78 T 4.5355 8.4899 120.1666 62.6404 70.7418 173.2298 79 D 4.7307 7.8150 120.6231 50.7450 42.3524 173.4206 80 P 4.1780 0.0000 0.0000 66.2474 30.7534 177.8638 81 A 4.1187 8.1440 119.3059 54.7600 18.3712 179.3335 82 A 3.9764 8.7340 120.1480 55.2344 18.4721 180.0631 83 V 3.6660 7.6734 116.2492 66.2689 31.8632 177.6561 84 L 3.9848 8.3901 120.4966 58.3105 41.6819 178.6946 85 F 4.1974 8.1828 120.2356 61.4626 39.3451 176.8697 86 E 4.0793 8.1168 116.8964 59.4143 29.2782 179.5168 87 I 3.5051 7.8134 119.7485 64.6059 37.1819 178.3035 88 N 4.3555 8.1069 116.7748 55.7188 38.2979 177.5558 89 A 3.7002 7.9056 122.9120 55.1527 18.4904 179.2578 90 C 2.0000 7.8361 117.9299 61.8150 31.2196 175.8339 91 R 3.7782 7.7682 120.0490 58.9687 29.3141 179.0529 92 K 3.7987 7.5960 118.4743 59.4478 32.3695 178.5568 93 A 4.1668 7.5756 119.2504 53.4386 19.7709 177.6620 94 R 4.1843 7.6778 115.3817 54.6616 30.5009 175.4979 95 S 4.4223 8.2290 114.1267 60.3030 63.8769 175.8768 96 N 4.8442 8.0157 117.5098 52.6236 37.6435 174.0772 97 F 4.6894 7.7740 115.0248 56.7338 43.4581 174.9367 98 Y 4.4265 8.7122 119.1324 57.7673 39.1552 174.8795 99 I 5.5206 8.9240 124.3529 59.5437 41.3712 174.6386 100 K 4.9978 9.4416 124.1579 55.3364 36.7434 174.8804 101 V 4.5752 7.9555 121.4194 61.0805 33.9175 174.4864 102 V 4.7595 8.5739 127.2019 60.9825 34.6574 174.1988 103 G 4.2876 9.0913 115.3854 44.7171 0.0000 171.9603 104 F 5.1631 9.4710 129.6096 56.5793 41.8674 174.3673 105 S 4.7690 7.3566 118.8784 56.4398 65.0729 174.3309 106 S 4.6017 8.4848 121.0362 58.0052 63.3859 174.2495 107 V 3.5692 7.6452 122.7118 63.9554 31.6017 177.3251 107A R 3.7309 8.4813 128.3851 59.4100 30.8037 177.4092 107B G 3.6589 8.0106 105.3554 48.1478 0.0000 173.9971 108 I 3.8666 7.5619 120.8026 60.3896 38.1429 176.0888 109 E 4.0877 7.7014 119.5704 55.4602 27.4634 173.4564 110 S 4.8049 6.5266 110.6195 57.4126 66.6895 173.6905 111 T 4.5869 8.7077 119.2076 63.7410 68.5078 174.5844 112 I 4.5282 8.3419 117.7782 60.0393 38.9860 175.0089 113 I 4.1736 7.5221 119.5051 60.8383 41.4991 173.0158 114 S 5.4832 8.6416 123.6173 57.8793 65.3709 172.7202 115 F 5.3904 8.2403 121.7622 54.9658 41.6775 173.9052 116 I 4.5999 8.6492 120.7915 61.1396 37.8695 176.0800 117 V 4.5656 8.4952 118.1541 60.2305 33.7335 174.8653 118 N 4.2605 7.4967 115.6563 53.3413 41.9329 173.6401 119 R 4.3429 8.5805 124.8477 53.1431 33.5810 173.6767 120 P 4.2200 0.0000 0.0000 61.9526 32.2247 176.4831 121 K 3.9558 8.6681 119.0979 59.3476 32.0120 176.9203 122 H 4.7800 8.0107 115.2690 54.0188 32.6089 171.9317 123 E 4.6984 8.3208 126.6507 53.6844 30.3742 173.3503 124 P 4.3151 0.0000 0.0000 64.2718 32.3214 176.7282 125 G 3.7295 8.3356 103.4091 43.6631 0.0000 171.7672 126 F 5.1365 8.4320 116.8796 55.6749 42.6408 174.3145 127 N 4.9678 8.7897 119.0125 51.1218 41.4711 173.3527 128 L 5.1462 8.4288 125.4300 53.6820 44.7750 175.3030 129 M 4.4780 9.3628 126.9796 54.5390 33.9461 175.7939 130 R 4.2640 8.4943 121.9872 54.2334 31.7247 173.6744 131 Q 4.2138 8.4835 125.5201 54.9958 30.5458 174.2515 132 E 4.3952 8.7415 126.8201 55.0828 29.8895 175.6440 133 D 4.8729 8.4625 127.4294 53.8535 40.0784 178.1573 134 K 4.2486 8.6152 116.3096 57.1324 33.7231 177.8968 135 S 3.6739 8.0589 118.1537 60.1567 62.7016 174.0075 136 R 4.3727 8.6196 128.2049 57.2518 30.3219 176.3658 137 S 4.4417 8.2174 115.9453 58.7830 64.0966 173.3781 138 I 4.9057 8.1096 122.2351 59.5067 40.9404 174.9272 139 K 4.4493 8.8224 126.4709 55.3175 33.2893 175.2901 140 Y 5.3370 8.6009 122.8313 56.5917 39.9353 175.5351 141 T 4.7449 8.4158 117.7671 62.0920 72.7856 172.7009 142 I 4.9936 8.4825 126.5714 60.0139 39.9379 174.7908 143 H 4.8910 8.8761 125.4314 54.7619 33.5035 173.0415 144 S 4.3494 8.6915 120.9870 58.1863 63.4254 174.5979 145 Y 4.5919 8.1888 121.1390 61.4048 37.5343 178.9781 146 E 3.9700 8.0151 119.0769 59.0477 29.3549 178.5744 147 S 4.2861 7.4723 113.0643 59.9238 62.9832 174.9841 148 Y 4.4642 7.5466 118.5315 57.8810 38.2204 175.1304 149 K 4.7158 7.1496 119.6032 53.2672 34.9909 174.3990 150 P 4.4118 0.0000 0.0000 62.5647 31.8275 176.7257 151 E 3.8395 8.9377 121.0979 59.5736 29.3831 177.5143 152 D 4.8246 8.0555 114.7894 53.4937 39.6859 176.1505 153 E 4.6307 8.1874 117.2089 56.2158 30.7411 176.2034 154 R 4.1411 7.8220 118.2180 56.7353 31.1299 176.0702 155 Y 3.9400 8.8784 119.0235 58.7107 38.6220 170.7007 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 8 M 8.30 4.39 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 9 R 8.22 4.34 0.00 1.80 1.76 0.00 3.17 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 10 I 8.47 3.97 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.58 0.92 0.00 0.00 11 T 8.39 4.67 4.53 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 1.08 0.00 0.00 12 Q 7.98 4.19 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 13 G 8.52 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 0.00 0.00 0.00 0.00 14 T 8.59 3.74 3.59 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 0.00 0.00 0.00 0.18 0.00 0.00 15 F 7.87 5.12 0.00 3.10 2.94 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 16 S 8.53 4.42 0.00 4.01 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 17 F 8.32 4.27 0.00 3.05 3.18 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 18 L 7.93 4.77 0.00 1.81 1.62 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.39 0.00 2.04 2.00 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 20 D 8.65 4.45 0.00 2.66 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 21 L 8.72 4.81 0.00 1.70 1.58 0.71 0.93 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 22 T 8.33 4.40 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 1.20 0.00 0.00 23 D 8.76 4.61 0.00 2.79 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 24 E 8.12 3.92 0.00 1.99 1.91 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 2.37 2.33 0.00 25 Q 8.43 3.94 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 26 I 8.23 3.68 2.08 0.00 0.00 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 1.63 0.89 1.10 0.00 0.00 27 K 8.18 3.89 0.00 1.91 2.09 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.67 7.81 28 K 7.92 4.16 0.00 2.05 1.79 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 29 Q 8.08 4.05 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.19 1.72 0.00 30 I 8.27 3.98 2.12 0.00 0.00 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 1.68 1.04 0.98 0.00 0.00 31 D 8.11 4.39 0.00 2.99 2.76 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 32 Y 7.84 4.16 0.00 2.94 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 33 M 8.18 4.01 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.13 2.75 0.00 34 I 7.85 3.79 2.04 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 1.60 1.20 0.96 0.00 0.00 35 S 7.91 4.37 0.00 4.03 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 0.00 36 K 7.34 4.39 0.00 1.58 1.66 0.00 1.45 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.19 0.85 7.81 37 K 7.39 3.86 0.00 1.82 1.86 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 L 7.76 4.80 0.00 1.61 1.67 0.88 0.80 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 39 A 9.06 4.55 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 40 I 8.79 4.92 1.86 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 1.21 1.11 0.94 0.00 0.00 41 G 8.89 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 0.00 0.00 0.00 0.00 42 I 8.37 5.27 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.86 0.85 0.00 0.00 43 E 9.14 5.56 0.00 1.99 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 2.29 2.27 0.00 44 Y 8.90 6.18 0.00 3.24 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 45 T 7.96 4.72 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 0.92 0.00 0.00 46 N 8.59 5.21 0.00 2.78 2.26 0.00 0.00 5.71 8.06 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 47 D 7.41 4.66 0.00 2.59 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 0.00 0.00 0.00 0.00 48 I 7.69 4.30 1.76 0.00 0.00 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 0.94 0.47 -0.04 0.00 0.00 49 H 8.23 4.29 0.00 3.37 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.24 0.00 2.11 2.02 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 51 R 7.82 4.24 0.00 1.74 1.96 0.00 3.30 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 *64 N 8.03 4.81 0.00 2.89 3.08 0.00 0.00 7.58 8.15 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 65 A 8.12 3.83 0.69 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 0.00 0.00 66 Y 6.85 4.79 0.00 3.14 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 67 W 8.39 4.62 0.00 3.28 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 68 E 8.78 4.15 0.00 1.16 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 2.23 2.38 0.00 69 I 8.18 4.71 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 1.00 0.00 0.00 70 W 9.43 4.66 0.00 3.63 3.28 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 71 G 8.40 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 0.00 0.00 0.00 72 L 8.11 4.19 0.00 1.68 1.72 0.93 1.10 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 73 P 0.00 4.46 0.00 1.68 1.87 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.83 0.00 74 L 9.24 4.35 0.00 1.72 1.62 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.76 4.70 0.00 3.11 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 76 D 7.89 5.02 0.00 2.69 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 77 V 8.12 3.60 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 0.85 0.00 0.00 0.96 0.00 0.00 78 T 8.49 4.54 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 79 D 7.81 4.73 0.00 2.71 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 80 P 0.00 4.18 0.00 2.34 2.38 0.00 3.78 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 2.11 2.23 0.00 81 A 8.14 4.12 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 82 A 8.73 3.98 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 83 V 7.67 3.67 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 1.08 0.00 0.00 0.99 0.00 0.00 84 L 8.39 3.98 0.00 1.93 1.76 1.01 0.84 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 85 F 8.18 4.20 0.00 3.28 3.32 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 86 E 8.12 4.08 0.00 2.34 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 0.00 2.60 2.72 0.00 87 I 7.81 3.51 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 0.84 0.00 0.00 88 N 8.11 4.36 0.00 2.81 2.73 0.00 0.00 6.98 6.81 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 89 A 7.91 3.70 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 90 C 7.84 2.00 0.00 1.23 2.22 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 91 R 7.77 3.78 0.00 1.78 1.82 0.00 3.07 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 92 K 7.60 3.80 0.00 1.86 1.83 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.53 7.81 93 A 7.58 4.17 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 94 R 7.68 4.18 0.00 1.10 0.85 0.00 2.21 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 95 S 8.23 4.42 0.00 3.92 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 96 N 8.02 4.84 0.00 2.93 2.94 0.00 0.00 5.79 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 97 F 7.77 4.69 0.00 2.88 3.02 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 98 Y 8.71 4.43 0.00 2.73 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 99 I 8.92 5.52 1.89 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.96 0.93 0.00 0.00 100 K 9.44 5.00 0.00 1.71 1.89 0.00 0.64 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.43 1.15 7.81 101 V 7.96 4.58 0.69 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 0.85 0.00 0.00 0.69 0.00 0.00 102 V 8.57 4.76 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 0.93 0.00 0.00 0.79 0.00 0.00 103 G 9.09 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 0.00 104 F 9.47 5.16 0.00 3.11 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 0.00 105 S 7.36 4.77 0.00 3.77 3.35 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 0.00 106 S 8.48 4.60 0.00 3.94 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 0.00 107 V 7.65 3.57 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 0.90 0.00 0.00 0.88 0.00 0.00 107A R 8.48 3.73 0.00 1.82 1.90 0.00 3.29 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 107B G 8.01 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 0.00 0.00 0.00 108 I 7.56 3.87 1.75 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 1.23 0.43 0.79 0.00 0.00 109 E 7.70 4.09 0.00 2.06 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 2.27 2.43 0.00 110 S 6.53 4.80 0.00 3.88 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 0.00 111 T 8.71 4.59 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 1.27 0.00 0.00 112 I 8.34 4.53 1.87 0.00 0.00 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 1.25 0.72 0.85 0.00 0.00 113 I 7.52 4.17 2.06 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.42 1.14 0.00 0.00 114 S 8.64 5.48 0.00 3.85 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 0.00 115 F 8.24 5.39 0.00 3.34 3.19 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 0.00 116 I 8.65 4.60 2.06 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 1.17 0.00 0.00 117 V 8.50 4.57 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 0.71 0.00 0.00 0.89 0.00 0.00 118 N 7.50 4.26 0.00 2.66 2.57 0.00 0.00 6.89 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 0.00 119 R 8.58 4.34 0.00 1.65 1.51 0.00 3.39 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 120 P 0.00 4.22 0.00 1.73 1.29 0.00 2.22 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 121 K 8.67 3.96 0.00 1.77 1.96 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.43 7.81 122 H 8.01 4.78 0.00 3.07 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.32 4.70 0.00 2.00 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 2.30 2.35 0.00 124 P 0.00 4.32 0.00 2.13 2.15 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 125 G 8.34 3.73 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 0.00 126 F 8.43 5.14 0.00 2.84 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 0.00 127 N 8.79 4.97 0.00 1.81 2.67 0.00 0.00 6.50 6.56 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 0.00 128 L 8.43 5.15 0.00 1.70 1.60 1.03 1.04 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 0.00 129 M 9.36 4.48 0.00 1.95 2.00 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 2.63 2.74 0.00 130 R 8.49 4.26 0.00 1.58 1.67 0.00 3.21 0.00 0.00 3.14 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 131 Q 8.48 4.21 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 132 E 8.74 4.40 0.00 1.86 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 2.24 0.00 133 D 8.46 4.87 0.00 2.59 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 0.00 0.00 0.00 0.00 134 K 8.62 4.25 0.00 1.86 1.70 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.45 7.81 135 S 8.06 3.67 0.00 3.93 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 0.00 136 R 8.62 4.37 0.00 1.80 1.97 0.00 3.38 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 137 S 8.22 4.44 0.00 3.92 3.79 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 0.00 138 I 8.11 4.91 1.47 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 -0.08 0.00 0.00 139 K 8.82 4.45 0.00 1.60 1.74 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.53 7.81 140 Y 8.60 5.34 0.00 2.78 2.87 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 0.00 141 T 8.42 4.74 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 1.26 0.00 0.00 142 I 8.48 4.99 1.70 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 0.50 0.00 0.00 143 H 8.88 4.89 0.00 3.13 2.96 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.69 4.35 0.00 3.65 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 0.00 145 Y 8.19 4.59 0.00 3.16 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 0.00 146 E 8.02 3.97 0.00 1.62 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 1.98 1.47 0.00 147 S 7.47 4.29 0.00 3.53 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 0.00 148 Y 7.55 4.46 0.00 3.28 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 0.00 149 K 7.15 4.72 0.00 1.78 1.69 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.35 7.81 150 P 0.00 4.41 0.00 2.41 2.20 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 151 E 8.94 3.84 0.00 1.98 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 2.42 2.54 0.00 152 D 8.06 4.82 0.00 2.88 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 0.00 153 E 8.19 4.63 0.00 2.06 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 2.23 2.24 0.00 154 R 7.82 4.14 0.00 1.69 1.49 0.00 3.38 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 155 Y 8.88 3.94 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.