NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7956 8.4449 117.8268 56.2098 30.0331 172.9220 1D H 4.4559 8.7387 118.1469 56.1874 29.5773 173.3781 1E H 5.1051 7.6782 114.9810 53.4654 33.4033 171.9092 1F H 4.6179 8.8546 116.8469 55.9259 29.0043 174.3378 1G F 4.8512 8.3750 119.4888 57.7957 39.8200 174.1292 2 N 4.6817 8.4870 117.2025 52.2449 39.3292 174.6962 3 L 4.8341 8.0663 122.9904 51.9473 44.3588 174.5587 4 P 4.4867 0.0000 0.0000 61.6263 32.2890 174.7730 5 P 4.3803 0.0000 0.0000 62.5242 33.0446 176.3593 6 G 3.9453 8.5586 104.5390 45.6650 0.0000 171.8838 7 N 4.6663 8.0023 115.6488 51.1183 39.8407 174.4226 8 Y 4.8215 8.2750 119.2338 58.8302 38.7795 177.6004 9 K 4.2013 8.4446 124.2857 56.8962 31.8855 181.0150 10 K 4.7822 7.6259 116.9364 53.1773 34.8157 174.0709 11 P 4.7822 0.0000 0.0000 63.3343 32.3009 175.0774 12 K 4.9213 9.5185 119.0410 55.2417 37.4237 175.0711 13 L 5.1700 9.1987 121.6222 53.6176 44.2699 176.2547 14 L 5.1568 8.9189 122.6918 53.4503 43.2751 173.9295 15 Y 4.8698 9.4128 126.3225 56.5783 40.8129 173.4165 16 C 4.4722 8.5352 127.9245 56.5865 32.5065 174.7024 17 S 4.0094 8.3639 121.5632 60.8381 63.0168 174.8194 18 N 4.1172 7.8720 119.2961 56.2958 38.4120 175.2938 19 G 3.9231 7.6089 102.5343 44.3984 0.0000 172.4376 20 G 3.6151 7.4195 106.2475 45.0105 0.0000 173.3980 21 H 4.9533 7.1788 114.1430 53.5939 33.1564 174.0112 22 F 5.3611 9.4336 120.6167 55.8027 40.5852 175.4342 23 L 4.5481 9.0550 125.9954 55.8550 43.2626 175.7761 24 R 5.1452 9.4118 125.2207 54.9204 34.1070 173.6045 25 I 4.9283 8.2139 126.1345 59.5113 39.1670 175.7734 26 L 4.1291 9.3725 128.7584 53.3441 42.3606 176.5750 27 P 4.3024 0.0000 0.0000 65.9661 31.2468 177.3116 28 D 4.5075 7.9748 114.1926 53.7191 39.5747 177.0323 29 G 4.5272 8.8270 109.7720 45.5318 0.0000 173.8900 30 T 4.3869 8.7783 117.6075 63.1461 69.1759 173.7067 31 V 4.9688 7.8291 124.2771 61.3236 34.4565 174.7427 32 D 4.5718 8.4845 124.2718 53.2508 43.4007 174.2230 33 G 4.5708 8.7402 104.7549 45.3311 0.0000 172.3394 34 T 5.0080 9.0864 116.3612 60.3391 70.9555 174.6534 35 R 4.0429 8.8868 124.2682 56.7183 30.9066 176.5043 36 D 4.6433 8.2752 119.1989 53.0502 39.9629 176.5575 37 R 3.4669 8.6452 127.6395 58.3334 30.2410 177.2751 38 S 4.3549 8.2441 110.7421 58.5980 63.5824 174.0342 39 D 4.3546 7.8496 121.9020 55.0880 41.2456 176.0885 40 Q 4.1456 8.4146 122.9656 57.0135 28.9869 176.0177 41 H 4.7701 9.5209 116.7748 55.4452 29.0764 174.9832 42 I 4.4444 7.0674 111.3348 59.9325 38.5145 175.1783 43 Q 4.3542 7.2728 123.3369 55.0787 30.1462 174.6416 44 F 5.3803 9.1714 122.7858 55.5879 43.4804 174.0126 45 Q 4.8657 9.4832 123.3783 54.6042 30.6908 174.4574 46 L 5.3189 8.7187 126.7825 53.9122 43.6156 176.3434 47 S 4.4560 8.6365 115.2413 56.6928 66.9015 172.5241 48 A 4.2724 8.0404 123.8937 51.1874 19.1921 176.1127 49 E 4.0555 9.2761 126.4791 56.2786 30.4790 177.3720 50 S 4.7735 7.7696 111.5675 55.9083 66.0811 173.9653 51 V 3.7922 8.2017 121.4790 64.7798 31.4772 176.2896 52 G 3.9419 9.2459 115.2100 45.0843 0.0000 171.8433 53 E 5.1805 8.3560 120.2279 54.6777 32.0193 175.6590 54 V 4.8890 9.1617 116.5405 60.0324 36.8190 173.8083 55 Y 5.1911 8.7792 119.5319 56.5159 40.9928 175.3770 56 I 4.4087 8.6322 123.1157 59.6127 40.1035 173.9519 57 K 4.8401 8.6660 129.1456 53.9509 34.8722 175.2084 58 S 4.5637 9.2824 123.3125 58.9604 62.6716 174.8015 59 T 3.8991 8.5020 118.0040 63.9081 68.8938 175.9865 60 E 4.0494 8.2209 122.9687 58.7473 29.9571 177.0551 61 T 4.2058 7.8777 106.2564 61.0723 69.8567 175.8374 62 G 3.8104 8.2078 109.7674 45.2419 0.0000 173.5764 63 Q 4.3709 7.7038 119.2123 55.9754 30.1481 174.7049 64 Y 4.9417 9.0194 120.6860 56.3615 40.3437 174.9520 65 L 4.4139 8.9910 126.3052 55.2572 43.4475 175.5732 66 A 5.1853 8.7268 126.1515 50.8057 23.2859 174.2803 67 M 5.3644 8.6056 119.3599 53.8374 34.7893 175.7746 68 D 5.2895 9.5950 126.5879 52.6515 41.2597 176.8444 69 T 4.0216 8.5839 112.6961 64.9830 67.2938 174.2638 70 D 4.7370 8.8779 119.6953 53.9269 41.0372 177.1441 71 G 3.3580 8.5459 108.0007 45.0915 0.0000 172.9062 72 L 4.7675 7.8176 119.6597 53.3629 43.3690 176.1187 73 L 4.9968 8.5575 123.5417 55.1270 42.7445 175.6179 74 Y 5.0002 9.1042 119.8764 56.0156 42.0477 173.4891 75 G 4.3212 8.7378 108.3309 45.1901 0.0000 173.1169 76 S 5.0804 9.3975 121.8682 56.8656 63.8629 175.2931 77 Q 4.2095 9.1512 126.2245 58.1762 28.9330 176.5514 78 T 4.7959 7.6191 105.9260 58.5849 71.5295 171.6825 79 P 3.8470 0.0000 0.0000 62.4657 32.0134 175.1561 80 N 4.9988 8.1747 117.9203 51.1343 40.3801 174.5549 81 E 3.8977 8.7350 115.2678 59.1408 29.6471 177.6457 82 E 4.1585 8.9614 118.5895 57.4823 29.8200 177.4218 83 C 4.9999 7.8890 115.5378 59.4151 29.1231 173.5528 84 L 4.2612 7.2724 120.9979 53.8930 42.7852 175.7834 85 F 5.1541 9.0027 121.6496 55.5615 43.5211 174.2646 86 L 4.8120 9.1175 122.9372 53.8993 42.6196 175.5229 87 E 4.4261 9.0288 127.2063 55.2451 30.2224 175.6582 88 R 4.7870 8.5513 125.3957 54.0204 34.8553 174.4871 89 L 4.7650 8.6743 123.6226 55.0585 43.1580 175.7971 90 E 4.6512 9.0254 125.5099 55.1838 33.7968 175.0037 91 E 3.9265 9.7423 123.7113 57.4572 27.2752 176.6238 92 N 4.4012 8.5581 113.7074 54.3376 37.2312 174.7701 93 H 4.7533 7.9502 110.8948 55.0704 31.4449 172.7102 94 Y 4.6892 8.3697 117.5744 56.6815 40.8119 173.9768 95 N 5.6601 9.6509 117.7032 51.9167 41.5924 174.4882 96 T 5.2684 8.8469 112.4617 60.1672 72.7660 172.7056 97 Y 4.9096 8.6629 119.6024 56.5831 41.3731 174.1591 98 I 4.4876 8.5769 126.2971 59.2988 39.3205 175.5028 99 S 3.8742 8.9380 122.7876 58.4917 62.4330 173.9164 100 K 3.9230 8.6580 129.5578 59.3745 32.2961 178.6232 101 K 3.7251 7.8991 118.1788 59.2340 32.2328 176.9323 102 H 4.6635 7.9652 114.8235 55.1363 29.3963 176.7471 103 A 3.9354 7.6982 125.6515 55.1567 18.3238 180.8681 104 E 3.6172 7.8203 112.4318 58.6054 29.6523 177.7289 105 K 4.0824 7.4766 116.9947 55.5330 32.9051 175.8535 106 N 3.9219 7.5940 115.8006 53.9736 36.3546 174.4822 107 W 5.2172 7.5242 117.6127 55.6062 31.3576 177.5509 108 F 5.4238 9.4125 123.6573 55.3444 41.5957 175.2494 109 V 4.0012 9.0253 121.1881 62.9879 32.4400 175.1651 110 G 4.3637 8.4630 112.1954 45.5029 0.0000 171.6847 111 L 5.3411 8.5769 121.1466 52.5309 45.3944 177.1322 112 K 4.1778 9.2428 122.9248 55.3335 33.0023 178.3394 113 K 3.8639 8.4722 119.6020 59.4178 31.9172 177.9042 114 N 4.5574 8.0835 113.7376 52.7063 37.7672 175.8823 115 G 3.4903 8.3890 108.7248 45.2392 0.0000 173.2079 116 S 4.8929 8.1207 115.0783 57.1137 65.0344 173.7987 117 C 4.7852 8.5431 119.5768 59.9430 28.7293 173.3535 118 K 4.3954 8.6875 122.0517 55.4388 33.2765 176.7058 119 R 4.1752 8.6138 123.4309 55.7612 31.0025 177.4149 120 G 3.1948 8.2413 115.0944 48.2393 0.0000 174.2141 121 P 4.2199 0.0000 0.0000 63.9962 31.4668 177.5501 122 R 4.3059 7.8762 116.3836 56.4200 30.4218 176.3793 123 T 5.1219 7.7045 108.5243 60.0739 70.7226 173.4370 124 H 4.7625 7.8640 115.0447 54.9087 30.5984 173.0921 125 Y 3.9022 8.6530 118.4981 59.7294 38.1372 177.0934 126 G 4.0344 9.0321 111.3324 45.3857 0.0000 173.8839 127 Q 4.2632 7.3203 118.8703 54.9511 29.9720 177.1372 128 K 3.8015 8.3129 119.3069 58.9935 32.7031 179.4662 129 A 4.0080 8.0821 121.0285 53.9282 18.3123 178.5124 130 I 4.3702 7.1761 106.1392 60.7313 38.3996 175.4113 131 L 4.3515 7.3983 123.3720 54.0176 42.6130 175.7448 132 F 5.0885 9.5151 123.1716 55.4585 42.8871 174.3432 133 L 5.2998 9.3314 124.1077 52.6097 44.7045 173.6146 134 P 5.1369 0.0000 0.0000 62.8466 32.1223 175.6420 135 L 4.9708 9.2037 124.8050 51.8974 45.1084 174.4225 136 P 4.6241 0.0000 0.0000 62.4187 32.3035 176.8434 137 V 3.7027 8.2130 121.1956 63.2432 31.5188 175.8201 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 1C H 8.44 4.80 0.00 3.14 3.45 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 1D H 8.74 4.46 0.00 3.27 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.68 5.11 0.00 3.16 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.85 4.62 0.00 3.31 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.38 4.85 0.00 2.84 3.05 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 2 N 8.49 4.68 0.00 2.92 2.76 0.00 0.00 6.84 6.74 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 3 L 8.07 4.83 0.00 1.47 1.40 0.60 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.49 0.00 2.16 2.18 0.00 3.68 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 1.97 1.97 0.00 5 P 0.00 4.38 0.00 2.17 2.11 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 6 G 8.56 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 7 N 8.00 4.67 0.00 2.73 2.73 0.00 0.00 5.84 7.55 0.00 0.00 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 Y 8.27 4.82 0.00 3.05 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 9 K 8.44 4.20 0.00 1.80 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.29 7.81 10 K 7.63 4.78 0.00 1.72 1.73 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.40 7.81 11 P 0.00 4.78 0.00 2.06 2.06 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 12 K 9.52 4.92 0.00 1.73 1.89 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.66 7.81 13 L 9.20 5.17 0.00 1.77 1.71 0.63 0.60 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 14 L 8.92 5.16 0.00 1.58 1.58 0.22 0.83 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 15 Y 9.41 4.87 0.00 3.26 3.17 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 16 C 8.54 4.47 0.00 2.30 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.01 0.00 3.99 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 18 N 7.87 4.12 0.00 2.52 2.70 0.00 0.00 6.73 7.98 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 19 G 7.61 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 20 G 7.42 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 21 H 7.18 4.95 0.00 3.00 3.24 0.00 5.80 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 22 F 9.43 5.36 0.00 3.10 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 23 L 9.06 4.55 0.00 1.83 1.64 0.92 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.41 5.15 0.00 1.99 2.09 0.00 3.22 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 25 I 8.21 4.93 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.10 0.96 0.00 0.00 26 L 9.37 4.13 0.00 1.77 1.52 0.93 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.30 0.00 2.00 2.11 0.00 3.53 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 28 D 7.97 4.51 0.00 2.77 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 29 G 8.83 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 0.00 0.00 0.00 0.00 30 T 8.78 4.39 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 1.24 0.00 0.00 31 V 7.83 4.97 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 0.91 0.00 0.00 1.01 0.00 0.00 32 D 8.48 4.57 0.00 2.86 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 33 G 8.74 4.57 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 0.00 34 T 9.09 5.01 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 1.43 0.00 0.00 35 R 8.89 4.04 0.00 1.89 1.99 0.00 3.22 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 36 D 8.28 4.64 0.00 2.83 2.66 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 37 R 8.65 3.47 0.00 1.97 1.93 0.00 3.35 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.00 38 S 8.24 4.35 0.00 3.98 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 39 D 7.85 4.35 0.00 2.74 2.61 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 40 Q 8.41 4.15 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.11 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 41 H 9.52 4.77 0.00 3.24 3.44 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.07 4.44 1.87 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 1.26 0.81 1.04 0.00 0.00 43 Q 7.27 4.35 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 44 F 9.17 5.38 0.00 2.91 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 45 Q 9.48 4.87 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 46 L 8.72 5.32 0.00 1.89 1.67 1.01 0.98 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 47 S 8.64 4.46 0.00 3.87 3.93 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 48 A 8.04 4.27 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 49 E 9.28 4.06 0.00 1.64 1.85 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 2.25 2.30 0.00 50 S 7.77 4.77 0.00 4.15 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 51 V 8.20 3.79 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 0.96 0.00 0.00 1.03 0.00 0.00 52 G 9.25 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 53 E 8.36 5.18 0.00 2.03 1.71 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 2.21 2.28 0.00 54 V 9.16 4.89 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 0.74 0.00 0.00 1.22 0.00 0.00 55 Y 8.78 5.19 0.00 3.01 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 56 I 8.63 4.41 1.55 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.63 0.25 0.00 0.00 57 K 8.67 4.84 0.00 1.43 1.51 0.00 1.26 0.00 0.00 1.12 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.04 0.78 7.81 58 S 9.28 4.56 0.00 3.96 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 59 T 8.50 3.90 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 1.16 0.00 0.00 60 E 8.22 4.05 0.00 1.93 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 2.21 2.35 0.00 61 T 7.88 4.21 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 1.21 0.00 0.00 62 G 8.21 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 0.00 0.00 0.00 63 Q 7.70 4.37 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.34 0.00 64 Y 9.02 4.94 0.00 2.90 2.96 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 65 L 8.99 4.41 0.00 1.44 1.32 0.72 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.73 5.19 0.48 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 0.00 0.00 0.00 67 M 8.61 5.36 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 68 D 9.59 5.29 0.00 2.95 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 69 T 8.58 4.02 4.33 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 1.27 0.00 0.00 70 D 8.88 4.74 0.00 2.68 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 71 G 8.55 3.36 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 0.00 72 L 7.82 4.77 0.00 1.91 1.64 0.91 0.61 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 73 L 8.56 5.00 0.00 1.56 1.60 0.88 0.96 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 74 Y 9.10 5.00 0.00 2.96 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 75 G 8.74 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 0.00 0.00 0.00 0.00 76 S 9.40 5.08 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 77 Q 9.15 4.21 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 78 T 7.62 4.80 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 1.25 0.00 0.00 79 P 0.00 3.85 0.00 1.55 0.49 0.00 3.60 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 1.65 1.39 0.00 80 N 8.17 5.00 0.00 2.92 2.94 0.00 0.00 6.01 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 81 E 8.74 3.90 0.00 2.04 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 2.26 2.28 0.00 82 E 8.96 4.16 0.00 2.27 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 2.39 2.35 0.00 83 C 7.89 5.00 0.00 3.25 3.23 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 84 L 7.27 4.26 0.00 1.34 1.31 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.00 5.15 0.00 3.07 3.05 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 86 L 9.12 4.81 0.00 1.48 1.58 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.03 4.43 0.00 2.12 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 2.16 1.89 0.00 88 R 8.55 4.79 0.00 1.75 1.79 0.00 3.09 0.00 0.00 2.83 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 89 L 8.67 4.77 0.00 1.70 1.66 0.92 0.88 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 90 E 9.03 4.65 0.00 2.18 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 2.27 2.39 0.00 91 E 9.74 3.93 0.00 2.43 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 2.34 2.36 0.00 92 N 8.56 4.40 0.00 2.56 2.75 0.00 0.00 6.89 8.16 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 93 H 7.95 4.75 0.00 2.74 3.00 0.00 5.83 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.37 4.69 0.00 3.02 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 N 9.65 5.66 0.00 3.03 2.54 0.00 0.00 6.97 7.01 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 96 T 8.85 5.27 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 97 Y 8.66 4.91 0.00 2.72 2.68 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 98 I 8.58 4.49 1.66 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.45 0.52 0.00 0.00 99 S 8.94 3.87 0.00 3.97 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 0.00 100 K 8.66 3.92 0.00 1.65 1.61 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.30 7.81 101 K 7.90 3.73 0.00 1.57 1.59 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.80 1.20 7.81 102 H 7.97 4.66 0.00 3.05 2.16 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.70 3.94 1.34 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 0.00 0.00 104 E 7.82 3.62 0.00 1.82 1.55 0.00 0.00 0.00 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 2.12 0.00 105 K 7.48 4.08 0.00 0.90 1.50 0.00 1.49 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.95 7.81 106 N 7.59 3.92 0.00 3.03 3.04 0.00 0.00 6.87 6.95 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 0.00 107 W 7.52 5.22 0.00 3.27 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 0.00 108 F 9.41 5.42 0.00 2.81 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 0.00 109 V 9.03 4.00 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 0.53 0.00 0.00 0.51 0.00 0.00 110 G 8.46 4.36 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 0.00 111 L 8.58 5.34 0.00 1.47 1.45 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.24 4.18 0.00 1.92 1.68 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.48 7.81 113 K 8.47 3.86 0.00 1.71 1.86 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.38 7.81 114 N 8.08 4.56 0.00 2.79 2.90 0.00 0.00 6.16 7.00 0.00 0.00 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 G 8.39 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.89 0.00 3.88 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 0.00 117 C 8.54 4.79 0.00 2.88 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 0.00 118 K 8.69 4.40 0.00 1.72 1.69 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.34 7.81 119 R 8.61 4.18 0.00 1.73 1.62 0.00 3.24 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 120 G 8.24 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 0.00 0.00 0.00 121 P 0.00 4.22 0.00 2.00 2.23 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 122 R 7.88 4.31 0.00 1.82 1.93 0.00 3.29 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 123 T 7.70 5.12 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 1.26 0.00 0.00 124 H 7.86 4.76 0.00 3.39 3.50 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.65 3.90 0.00 3.16 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 0.00 126 G 9.03 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 0.00 0.00 0.00 127 Q 7.32 4.26 0.00 1.80 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.77 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 128 K 8.31 3.80 0.00 1.72 1.74 0.00 1.35 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.34 7.81 129 A 8.08 4.01 1.23 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 0.00 130 I 7.18 4.37 1.64 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 1.32 1.00 0.47 0.00 0.00 131 L 7.40 4.35 0.00 0.99 0.79 0.40 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.52 5.09 0.00 3.43 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 0.00 133 L 9.33 5.30 0.00 2.06 1.85 0.87 0.89 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 0.00 134 P 0.00 5.14 0.00 2.22 2.22 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 135 L 9.20 4.97 0.00 1.72 1.66 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.62 0.00 1.95 1.99 0.00 3.96 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 2.03 1.97 0.00 137 V 8.21 3.70 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 0.68 0.00 0.00 0.94 0.00 0.00