NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8845 8.3549 109.7349 45.2960 0.0000 173.2940 2 S 4.0853 8.6591 121.7441 57.6094 63.2920 172.4424 3 S 4.5067 8.7909 122.5312 56.8073 63.8485 173.1401 4 G 4.1566 8.0699 113.5771 42.5397 0.0000 171.3382 5 S 4.1149 8.4683 113.9639 58.6026 63.0937 173.8578 6 S 4.7983 8.1753 116.9659 55.6953 66.3218 172.9440 7 G 4.0797 7.5564 104.3218 43.9345 0.0000 173.7314 8 V 4.6691 7.9714 122.1927 60.8035 34.4059 174.1505 9 T 4.6524 8.5246 119.5859 61.5947 72.5582 172.6420 10 W 5.1765 8.9243 125.7002 54.9394 31.4063 175.0854 11 Q 4.8477 8.7804 121.9402 53.6809 32.1208 172.3915 12 P 4.9526 0.0000 0.0000 62.9485 32.4728 176.0779 13 S 4.3816 8.9008 117.6420 57.4353 63.6977 174.6010 14 K 3.8614 8.8909 122.6979 59.7460 31.7622 177.3511 15 E 4.0375 8.1404 116.4307 57.6651 29.5947 177.9749 16 G 4.0472 8.2013 105.7525 45.0183 0.0000 173.7397 17 D 4.5830 8.0147 118.9767 55.9562 42.5125 176.4279 18 R 4.7559 7.9447 116.7244 54.4192 33.9501 175.1536 19 L 5.2122 9.1530 119.0745 53.1648 44.8718 176.7313 20 I 4.4367 9.1460 127.3949 60.8573 38.2247 175.7558 21 G 2.8357 9.2398 116.6865 44.6950 0.0000 171.8108 22 R 4.5932 8.5030 127.8451 54.6983 31.6534 175.0243 23 V 4.8474 8.7190 126.8045 61.1656 35.1646 174.3476 24 I 5.0149 8.0218 124.6171 59.7558 41.6307 174.1665 25 L 5.0352 9.0799 126.1397 52.8272 45.8559 175.5428 26 N 5.5556 8.9827 118.4374 49.8251 38.6375 173.1739 27 K 4.6765 8.4168 124.1674 54.6695 36.2074 176.2730 28 R 4.5095 7.9734 120.8883 55.8476 30.7921 175.2905 29 T 4.3680 7.4211 108.5128 62.6874 72.2657 173.3543 30 T 4.2207 8.6452 122.1920 63.2435 69.2923 174.3719 31 M 3.8530 8.5570 125.3358 54.4558 32.9298 175.0218 32 P 4.2885 0.0000 0.0000 65.7050 31.7637 176.8025 33 K 4.2458 7.6846 118.3643 55.3911 33.4636 176.1076 34 D 4.7270 8.2222 120.2033 54.0393 39.2558 177.1915 35 S 4.1885 7.4439 118.0763 60.0898 64.4557 176.2790 36 G 4.1021 8.1514 108.3033 46.4909 0.0000 172.9331 37 A 3.6634 7.8273 112.6543 53.0405 16.2413 178.0526 38 L 4.7189 7.7304 120.0159 54.6040 42.2738 177.6213 39 L 3.9430 8.9861 125.2213 56.6225 42.2631 176.5214 40 G 3.6492 6.8705 115.4577 44.2650 0.0000 172.0886 41 L 4.7477 6.8730 116.1272 54.9884 43.1932 174.7614 42 K 4.3076 8.4748 123.2252 55.5746 33.4434 175.2565 43 V 4.8585 8.2600 127.7038 61.0077 33.7643 174.9320 44 V 4.2187 8.9088 128.0584 60.3700 33.3515 175.2784 45 G 4.1415 8.5405 117.7110 45.7893 0.0000 173.4935 46 G 4.2163 8.7603 111.2546 46.1808 0.0000 173.3622 47 K 4.4719 7.6936 118.2252 55.6378 33.9751 175.6063 48 M 4.9429 8.4745 121.3572 54.9252 33.7290 175.0157 49 T 4.9340 8.3647 113.4442 59.7198 72.0476 174.8297 50 D 4.4743 8.9508 121.9036 56.8356 41.0622 177.8928 51 L 4.1479 7.4323 117.8968 55.7496 41.8894 177.7053 52 G 4.0374 7.9325 105.4575 44.9940 0.0000 173.5764 53 R 4.5637 7.8087 116.4701 54.9094 32.7911 175.2604 54 L 5.4718 7.6552 117.7832 53.7874 43.7383 176.1766 55 G 4.2263 8.3265 105.0882 45.8271 0.0000 172.5056 56 A 5.6827 7.7076 122.0419 49.6907 21.7855 176.0178 57 F 5.3159 8.4463 117.0579 55.9089 44.3194 173.6676 58 I 4.6757 8.5619 122.4894 61.2946 37.7271 176.7105 59 T 4.5542 8.9348 117.3363 62.8077 70.5205 174.8400 60 K 4.6980 7.7294 121.0794 54.9596 36.1391 175.0559 61 V 4.8518 8.1562 124.2646 60.7748 33.9778 174.8550 62 K 4.0106 8.9165 130.3026 56.7335 32.9480 175.9537 63 K 4.3454 8.5950 127.1231 57.1636 32.5580 176.8158 64 G 3.9606 8.8529 115.4379 45.1021 0.0000 173.2376 65 S 4.5159 7.6257 114.4377 56.9929 64.5706 175.0910 66 L 3.8693 8.5241 120.2453 58.0343 41.6976 178.9545 67 A 4.4974 7.9538 118.7410 52.3735 18.6357 177.6786 68 D 4.7724 7.5584 117.4694 54.6104 43.5030 177.9178 69 V 3.9676 8.1639 111.3479 62.1956 33.0517 176.9922 70 V 3.9382 7.8840 118.1420 64.0365 32.0252 176.8501 71 G 3.7464 7.9998 107.0017 45.6345 0.0000 173.0813 72 H 4.2876 7.8831 114.2215 55.5889 26.2473 174.7444 73 L 4.6290 7.6904 118.0834 54.1512 42.7723 175.9302 74 R 4.6679 8.4744 115.3592 54.2203 32.6291 174.0595 75 A 4.4902 8.4306 121.3889 52.7194 18.5320 176.3266 76 G 3.8102 9.1244 114.9594 46.0377 0.0000 174.2255 77 D 4.5222 7.9137 120.7816 54.8639 42.2576 175.8843 78 E 3.9032 8.9749 124.4601 55.1210 30.5122 175.6772 79 V 3.4850 8.1704 128.6642 63.2391 31.1851 176.0303 80 L 4.1432 9.2921 129.0760 56.9422 41.9809 176.6958 81 E 5.1402 8.0526 117.4226 54.3189 33.2713 174.7277 82 W 4.6038 8.8566 132.7700 56.1835 31.3249 174.3645 83 N 4.2159 9.2663 124.8078 54.3537 37.0846 174.5147 84 G 3.8864 8.5937 101.4862 45.5179 0.0000 173.9772 85 K 4.5175 7.5784 118.8387 53.1829 35.2251 174.2503 86 P 4.7386 0.0000 0.0000 62.5234 30.4622 176.0233 87 L 4.0983 8.7039 126.1721 57.0917 41.8343 176.6261 88 P 5.0372 0.0000 0.0000 63.4878 31.7006 176.2817 89 G 3.9864 9.0799 109.0199 45.1690 0.0000 172.3492 90 A 4.7529 7.6138 121.7192 49.8116 22.2989 175.4641 91 T 4.2939 7.9557 110.1740 60.7374 71.8426 175.2867 92 N 4.2524 8.5749 118.4989 56.6233 38.3336 176.1358 93 E 4.0304 7.8993 119.7991 58.7031 29.5620 178.1942 94 E 3.9314 7.9317 118.1015 58.6457 30.0156 178.7435 95 V 3.5633 8.1240 118.8381 65.8650 31.5647 177.5208 96 Y 3.6971 7.9017 118.9557 60.7127 38.6419 177.7042 97 N 4.5018 7.8508 117.1202 56.4170 38.3959 177.4561 98 I 3.7526 7.3174 120.0992 64.5363 37.3800 178.2980 99 I 3.5097 7.3804 120.4806 63.9328 36.7714 178.2795 100 L 4.1238 8.3933 121.7114 58.1261 41.9450 178.7753 101 E 4.2714 8.7443 119.0011 59.1896 29.3999 178.5849 102 S 4.5188 7.9579 112.2798 59.3175 62.3609 175.5903 103 K 4.3621 8.3858 121.1028 59.8526 32.1081 177.5221 104 S 4.6837 7.3996 112.8128 58.0700 63.6633 173.0836 105 E 4.5819 8.4747 122.4937 54.1333 30.4693 175.0105 106 P 5.1952 0.0000 0.0000 64.1235 32.3928 175.5167 107 Q 4.9017 7.5602 120.0261 54.9695 32.5457 173.7243 108 V 4.4524 8.9922 125.0460 61.0213 35.7201 173.5928 109 E 4.8389 8.4576 127.6428 54.5996 31.9887 174.1913 110 I 4.4560 8.5171 129.3936 59.8112 39.2031 175.0628 111 I 4.8414 8.7177 128.4780 59.8163 39.7246 175.2970 112 V 4.9036 8.3629 120.1690 59.4483 35.4618 174.7445 113 S 5.2223 8.5892 116.3095 56.8341 64.3291 173.3288 114 R 4.8984 9.2906 126.5568 53.5091 33.4778 173.9273 115 P 4.8350 0.0000 0.0000 62.5362 31.0521 175.0354 116 S 3.7261 7.9740 120.3922 60.6984 62.9349 174.2974 117 G 3.9059 8.9092 114.8791 44.8970 0.0000 171.0284 118 P 4.3382 0.0000 0.0000 62.7163 32.5147 177.2240 119 S 4.3439 8.3692 116.4312 58.4217 63.5460 173.6019 120 S 4.4085 9.8054 119.3468 60.5234 63.7268 173.8662 121 G 3.5620 8.2759 111.8721 45.1650 0.0000 173.1455 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 G 8.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.66 4.09 0.00 3.93 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 3 S 8.79 4.51 0.00 3.81 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 4 G 8.07 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 0.00 0.00 0.00 5 S 8.47 4.11 0.00 3.96 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 6 S 8.18 4.80 0.00 3.91 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 0.00 7 G 7.56 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 8 V 7.97 4.67 2.18 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 0.78 0.00 0.00 0.66 0.00 0.00 9 T 8.52 4.65 4.12 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 0.00 0.00 1.23 0.00 0.00 10 W 8.92 5.18 0.00 3.14 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 11 Q 8.78 4.85 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 12 P 0.00 4.95 0.00 2.12 2.12 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 13 S 8.90 4.38 0.00 3.98 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 14 K 8.89 3.86 0.00 1.76 1.88 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 15 E 8.14 4.04 0.00 2.06 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 2.32 2.32 0.00 16 G 8.20 4.05 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 0.00 17 D 8.01 4.58 0.00 2.63 2.73 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 18 R 7.94 4.76 0.00 1.75 1.90 0.00 3.29 0.00 0.00 3.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 19 L 9.15 5.21 0.00 1.79 1.88 0.87 1.13 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 20 I 9.15 4.44 1.87 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 1.20 1.12 0.87 0.00 0.00 21 G 9.24 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 0.00 0.00 0.00 22 R 8.50 4.59 0.00 1.69 1.63 0.00 2.95 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 23 V 8.72 4.85 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.72 0.00 0.00 24 I 8.02 5.01 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.88 0.00 0.00 25 L 9.08 5.04 0.00 1.35 1.43 0.89 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.98 5.56 0.00 2.62 2.76 0.00 0.00 6.16 7.09 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 27 K 8.42 4.68 0.00 1.86 1.91 0.00 1.41 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.37 1.42 7.81 28 R 7.97 4.51 0.00 1.72 1.89 0.00 3.31 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 29 T 7.42 4.37 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 1.22 0.00 0.00 30 T 8.65 4.22 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 1.24 0.00 0.00 31 M 8.56 3.85 0.00 2.03 2.05 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 2.87 2.56 0.00 32 P 0.00 4.29 0.00 2.18 2.18 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 33 K 7.68 4.25 0.00 1.75 1.80 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 D 8.22 4.73 0.00 2.71 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 35 S 7.44 4.19 0.00 3.88 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 36 G 8.15 4.10 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 0.00 0.00 0.00 37 A 7.83 3.66 1.49 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 38 L 7.73 4.72 0.00 1.74 1.82 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.99 3.94 0.00 1.67 1.77 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 40 G 6.87 3.65 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 41 L 6.87 4.75 0.00 1.81 1.63 1.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.47 4.31 0.00 1.85 1.73 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.53 7.81 43 V 8.26 4.86 1.73 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 0.78 0.00 0.00 0.77 0.00 0.00 44 V 8.91 4.22 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 0.88 0.00 0.00 0.98 0.00 0.00 45 G 8.54 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.76 4.22 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 0.00 0.00 0.00 47 K 7.69 4.47 0.00 2.28 1.89 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.63 7.81 48 M 8.47 4.94 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 49 T 8.36 4.93 4.40 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 1.48 0.00 0.00 50 D 8.95 4.47 0.00 2.71 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 51 L 7.43 4.15 0.00 1.71 1.75 0.96 0.96 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 52 G 7.93 4.04 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 0.00 0.00 0.00 53 R 7.81 4.56 0.00 1.91 2.12 0.00 2.97 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 7.66 5.47 0.00 1.73 1.72 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.33 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.71 5.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.45 5.32 0.00 2.96 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 58 I 8.56 4.68 2.12 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 1.39 0.68 1.05 0.00 0.00 59 T 8.93 4.55 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 1.25 0.00 0.00 60 K 7.73 4.70 0.00 1.80 1.64 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.40 7.81 61 V 8.16 4.85 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 1.06 0.00 0.00 0.99 0.00 0.00 62 K 8.92 4.01 0.00 1.78 1.73 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.46 7.81 63 K 8.59 4.35 0.00 1.75 1.71 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.50 7.81 64 G 8.85 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 0.00 0.00 0.00 65 S 7.63 4.52 0.00 4.23 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 66 L 8.52 3.87 0.00 1.70 1.72 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.95 4.50 1.30 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 68 D 7.56 4.77 0.00 2.84 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 69 V 8.16 3.97 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 0.69 0.00 0.00 0.95 0.00 0.00 70 V 7.88 3.94 2.20 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 0.78 0.00 0.00 0.90 0.00 0.00 71 G 8.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.88 4.29 0.00 3.50 3.51 0.00 5.75 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.69 4.63 0.00 1.85 1.73 0.94 0.64 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 74 R 8.47 4.67 0.00 1.93 2.04 0.00 2.79 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 75 A 8.43 4.49 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 76 G 9.12 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 77 D 7.91 4.52 0.00 2.95 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 78 E 8.97 3.90 0.00 2.18 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 1.47 2.02 0.00 79 V 8.17 3.49 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 1.00 0.00 0.00 1.04 0.00 0.00 80 L 9.29 4.14 0.00 1.83 1.64 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.05 5.14 0.00 1.85 1.80 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 2.28 2.25 0.00 82 W 8.86 4.60 0.00 3.38 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 83 N 9.27 4.22 0.00 2.74 3.01 0.00 0.00 7.35 7.97 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 84 G 8.59 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 85 K 7.58 4.52 0.00 2.13 1.71 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.56 7.81 86 P 0.00 4.74 0.00 2.18 2.12 0.00 3.79 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 1.99 1.99 0.00 87 L 8.70 4.10 0.00 2.00 1.69 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 5.04 0.00 2.13 2.01 0.00 3.20 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 89 G 9.08 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 90 A 7.61 4.75 1.26 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 0.00 0.00 0.00 91 T 7.96 4.29 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 1.22 0.00 0.00 92 N 8.57 4.25 0.00 2.90 2.88 0.00 0.00 6.83 7.68 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 93 E 7.90 4.03 0.00 2.16 1.92 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 2.29 2.31 0.00 94 E 7.93 3.93 0.00 2.16 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 2.37 2.30 0.00 95 V 8.12 3.56 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 0.82 0.00 0.00 0.93 0.00 0.00 96 Y 7.90 3.70 0.00 3.23 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 97 N 7.85 4.50 0.00 2.80 2.88 0.00 0.00 7.26 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 98 I 7.32 3.75 1.97 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 1.54 0.67 1.00 0.00 0.00 99 I 7.38 3.51 1.17 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 0.01 0.00 0.00 100 L 8.39 4.12 0.00 1.83 1.97 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.74 4.27 0.00 2.31 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 2.37 2.56 0.00 102 S 7.96 4.52 0.00 4.11 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 0.00 103 K 8.39 4.36 0.00 1.94 2.10 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.52 7.81 104 S 7.40 4.68 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.47 4.58 0.00 2.16 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 2.27 2.38 0.00 106 P 0.00 5.20 0.00 2.10 2.28 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.79 0.00 107 Q 7.56 4.90 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 108 V 8.99 4.45 1.75 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 0.25 0.00 0.00 0.84 0.00 0.00 109 E 8.46 4.84 0.00 1.92 1.64 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 2.12 2.28 0.00 110 I 8.52 4.46 1.63 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.15 0.87 0.00 0.00 111 I 8.72 4.84 1.82 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 1.12 1.19 0.88 0.00 0.00 112 V 8.36 4.90 2.15 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 0.66 0.00 0.00 0.97 0.00 0.00 113 S 8.59 5.22 0.00 3.90 3.76 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 0.00 114 R 9.29 4.90 0.00 1.97 1.74 0.00 2.51 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 115 P 0.00 4.83 0.00 2.07 2.14 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 116 S 7.97 3.73 0.00 3.96 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 0.00 117 G 8.91 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 0.00 118 P 0.00 4.34 0.00 2.09 1.90 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 119 S 8.37 4.34 0.00 3.85 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 0.00 120 S 9.81 4.41 0.00 3.77 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 0.00 121 G 8.28 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