NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.4446 8.4293 116.2127 55.1270 30.3139 173.2112 2 C 4.2197 7.6968 113.9638 56.9043 30.0078 172.1128 3 D 4.5784 8.3827 118.2795 55.1547 40.1257 175.6056 4 L 4.0815 8.0502 120.1203 57.1215 42.2465 175.7401 5 P 4.5732 0.0000 0.0000 62.4856 32.1472 175.5484 6 C 4.2590 8.5334 114.0573 58.0761 30.5838 174.9262 7 G 3.9482 8.3113 107.6861 45.2290 0.0000 172.8803 8 V 4.2808 7.1374 119.3151 61.1852 32.5280 174.3836 9 Y 4.7856 8.1999 123.6088 56.7358 42.1451 174.3306 10 D 3.8597 8.1021 119.7311 51.5408 44.1472 174.5425 11 P 4.0879 0.0000 0.0000 64.8072 31.1502 178.0569 12 A 3.9672 8.5806 120.5349 55.1385 17.8064 179.6710 13 Q 3.7448 7.9949 116.3095 59.0473 28.7513 178.6400 14 A 4.0699 7.8279 121.1312 55.3086 18.4664 179.4910 15 R 3.8170 8.2380 117.4122 59.6370 30.2141 178.5996 16 I 3.8565 8.0270 118.5984 63.9909 37.8890 177.7986 17 E 3.9925 8.0283 119.2420 59.2663 29.3431 179.0747 18 A 4.0251 8.2715 120.9671 55.0596 18.3360 179.4890 19 E 3.9542 8.7451 117.8865 59.6706 29.4838 179.7895 20 S 4.1764 8.2152 114.2768 61.1754 63.0694 176.6382 21 V 3.5408 7.8764 121.9605 65.8146 31.2452 177.9813 22 K 4.1517 8.1918 119.0592 59.4215 31.9414 178.4912 23 A 4.1565 8.4188 121.5759 55.2900 18.2583 179.8378 24 V 3.5424 8.2073 117.0549 66.0984 31.5859 178.1712 25 Q 4.0027 8.1766 117.8444 59.1101 28.6650 178.8502 26 E 3.9854 8.4144 119.5079 59.4716 29.5327 179.4948 27 K 4.0605 8.4180 118.7026 59.9433 31.8987 179.2686 28 M 4.3360 8.0841 117.7502 57.8263 31.9414 177.7397 29 A 4.4910 7.8503 118.7630 52.6355 19.0624 177.8100 30 G 3.8905 7.7201 105.1681 44.7670 0.0000 173.6068 31 N 4.4299 7.8129 118.3080 53.0647 39.6407 173.0325 32 D 4.7614 8.5533 124.8304 53.0692 40.0700 176.6017 33 D 4.3770 8.3491 120.4491 54.6578 42.0393 175.0294 34 P 4.2775 0.0000 0.0000 66.1014 31.3731 178.0786 35 H 4.1564 8.3393 116.3737 59.2292 29.8022 176.8278 36 F 4.0779 8.5845 122.4448 61.4960 39.2102 177.0484 37 Q 3.9393 8.5864 117.9788 59.2175 28.4032 179.0644 38 T 3.8130 8.1288 116.8971 66.6694 68.4258 176.9374 39 R 3.7523 8.0073 119.8967 59.1879 29.9714 178.9983 40 A 3.7212 7.8448 120.8530 55.2522 18.2475 179.8763 41 T 3.7270 7.8903 114.2720 66.5967 68.6214 176.9138 42 V 3.5217 7.8389 120.2904 66.3200 31.4625 178.2420 43 I 3.9879 7.8759 120.9598 63.5215 36.8909 178.2245 44 K 3.8321 8.2740 120.9307 59.4928 31.9647 178.3542 45 E 3.9040 8.1386 119.4608 59.4332 29.6159 178.8954 46 Q 3.9752 7.9062 117.5225 59.1359 28.7501 179.0057 47 R 4.0612 8.3289 119.0925 58.9629 30.0295 178.9723 48 A 3.9785 8.1950 120.9131 54.9452 18.3670 179.2282 49 E 3.8564 8.2031 117.9092 59.4184 29.6726 179.0336 50 L 3.9102 7.9529 118.7595 57.7364 41.6524 179.2225 51 A 4.0432 8.1807 120.7231 55.2327 18.2005 179.7838 52 K 3.8793 8.2327 116.9060 59.7897 32.0623 178.9314 53 H 4.1141 8.2292 118.3540 59.7255 29.8093 176.9280 54 H 4.2133 8.2575 117.9636 58.8796 28.5379 177.9956 55 V 3.6293 8.0345 120.0306 66.0953 31.3248 177.9496 56 S 4.3007 8.4395 113.2561 61.4830 62.1354 176.2801 57 V 3.6844 8.1126 121.0455 65.9601 31.2314 177.8190 58 L 4.0204 8.1009 118.7650 57.7094 41.3082 179.4012 59 W 4.7248 8.3070 126.9892 60.7160 30.8175 177.7053 60 S 4.0756 8.5086 112.9502 60.3544 62.9248 175.0845 61 D 4.7746 8.3773 120.9815 55.2115 42.1406 177.2367 62 Y 3.4538 7.5628 118.9560 59.8369 39.1307 175.5903 63 F 4.0586 7.8748 117.8187 57.0422 39.7180 174.9682 64 K 4.6531 8.0635 122.1718 53.2498 35.8409 175.2687 65 P 4.4410 0.0000 0.0000 65.8749 31.0283 177.1305 66 P 4.2208 0.0000 0.0000 65.8544 31.0644 178.3969 67 H 4.3519 7.9406 115.2508 58.9011 28.3909 177.8743 68 F 4.3965 7.4301 118.1158 60.3159 38.8303 176.9064 69 E 4.1348 8.2448 118.7061 59.0068 29.5367 178.3839 70 K 4.0623 8.2384 119.1033 57.7091 33.6609 176.3665 71 Y 4.8594 8.2511 117.1318 53.9218 37.7285 174.1750 72 P 4.5657 0.0000 0.0000 64.6590 31.8178 178.1198 73 E 4.2817 8.1651 116.3379 57.3335 30.5390 178.2087 74 L 4.0152 8.2876 122.4496 58.4569 41.9831 178.1328 75 H 4.2440 8.2742 115.7779 59.2365 28.6928 177.3645 76 Q 3.8317 8.0497 120.5789 58.8410 28.8313 177.6994 77 L 3.8874 8.1229 121.6827 58.1532 42.1718 179.1879 78 V 3.3846 7.8690 118.4124 65.8107 31.3359 177.3669 79 N 3.9634 7.9188 116.9760 56.8544 38.6636 176.5986 80 D 4.0506 8.1845 120.5111 57.2748 40.7623 178.9063 81 T 3.4514 7.6080 116.4964 66.5070 68.4544 176.6532 82 L 3.9365 7.6936 120.7515 57.7425 41.6339 179.7810 83 K 3.9013 8.1073 118.3123 59.2869 31.9227 179.2739 84 A 4.0506 8.0778 121.4923 55.4044 18.2205 179.6473 85 M 4.0598 8.0592 117.2923 58.5408 32.0983 179.0910 86 S 4.0836 8.2684 115.2549 61.5706 62.7511 176.6447 87 A 4.0189 7.8573 122.3575 54.9798 18.4925 179.2627 88 A 4.1424 8.1220 120.7924 54.5139 18.2089 179.6808 89 K 3.9107 8.0644 116.5481 59.7775 32.3492 178.9762 90 G 3.8598 7.7005 101.5184 44.6393 0.0000 173.1152 91 S 4.7693 7.1778 114.2203 56.4378 65.4641 173.7288 92 K 4.2763 8.4716 122.5570 56.4296 32.7215 176.2157 93 D 4.5852 8.3603 121.3497 52.7766 41.3659 175.2275 94 P 5.1793 0.0000 0.0000 64.5277 31.3189 178.2322 95 A 4.0000 8.6272 120.5821 55.0430 17.8335 179.7012 96 T 4.0379 8.3501 109.3373 64.7595 69.0479 177.2400 97 G 3.6589 8.1964 108.1697 47.6670 0.0000 175.2253 98 Q 3.9992 8.4177 122.3744 58.6875 29.0682 178.1719 99 K 3.8231 8.2452 120.5251 59.4062 32.1421 178.6034 100 A 4.2041 8.0725 120.9608 55.2698 18.2375 179.5676 101 L 3.9650 8.0644 117.4738 58.0034 41.5214 179.5049 102 D 4.3058 8.3858 119.0713 57.5555 40.7319 178.4569 103 Y 4.1782 7.9692 117.1131 61.2354 37.9000 178.6561 104 I 3.7629 8.1959 120.6643 64.4097 37.2107 178.2670 105 A 4.1837 8.3710 121.7857 55.3399 18.1176 179.7714 106 Q 4.0301 7.9039 116.7674 59.0869 28.7449 178.8584 107 I 3.7667 7.8963 121.0115 64.3586 37.1542 177.8825 108 D 4.3697 8.6895 119.3670 57.2113 41.1127 178.2980 109 K 4.1347 8.2899 120.0841 59.6797 32.2823 178.8854 110 I 3.5388 7.6339 119.7033 64.0893 36.8000 177.9196 111 F 3.9778 8.6637 121.9717 61.4511 38.9111 177.4334 112 W 4.3023 8.1659 116.5047 59.4283 29.1093 178.1799 113 E 4.2585 8.3670 119.2072 59.5867 28.7449 179.1696 114 T 4.4361 7.6453 109.3487 63.3620 69.0352 176.3257 115 K 4.0789 7.5598 120.7554 58.2664 32.2165 178.2725 116 K 4.3829 7.6814 117.3784 57.6769 32.7975 176.3043 117 A 4.1441 7.7185 126.3000 52.7674 18.9870 175.6913 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 H 8.43 4.44 0.00 3.22 3.27 0.00 5.47 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.70 4.22 0.00 3.12 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 3 D 8.38 4.58 0.00 2.88 2.85 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 4 L 8.05 4.08 0.00 1.60 1.75 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.57 0.00 2.28 2.09 0.00 3.81 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 2.00 1.98 0.00 6 C 8.53 4.26 0.00 3.00 2.98 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 0.00 0.00 0.00 0.00 7 G 8.31 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 8 V 7.14 4.28 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 0.88 0.00 0.00 0.96 0.00 0.00 9 Y 8.20 4.79 0.00 2.83 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 0.00 0.00 0.00 0.00 10 D 8.10 3.86 0.00 2.62 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.09 0.00 2.21 1.89 0.00 2.94 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 1.35 1.12 0.00 12 A 8.58 3.97 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 13 Q 7.99 3.74 0.00 1.81 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 14 A 7.83 4.07 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 15 R 8.24 3.82 0.00 1.88 1.93 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 16 I 8.03 3.86 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 1.01 0.00 0.00 17 E 8.03 3.99 0.00 2.18 2.19 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 2.57 2.55 0.00 18 A 8.27 4.03 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 19 E 8.75 3.95 0.00 2.15 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 0.00 2.34 2.49 0.00 20 S 8.22 4.18 0.00 4.07 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.88 3.54 2.24 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 0.99 0.00 0.00 0.97 0.00 0.00 22 K 8.19 4.15 0.00 1.89 1.93 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.46 7.81 23 A 8.42 4.16 1.41 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 0.00 0.00 24 V 8.21 3.54 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 1.00 0.00 0.00 0.94 0.00 0.00 25 Q 8.18 4.00 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 26 E 8.41 3.99 0.00 2.19 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 0.00 2.34 2.54 0.00 27 K 8.42 4.06 0.00 2.09 2.22 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.79 1.75 7.81 28 M 8.08 4.34 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.50 0.00 29 A 7.85 4.49 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.72 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 31 N 7.81 4.43 0.00 2.31 2.23 0.00 0.00 7.08 8.47 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 32 D 8.55 4.76 0.00 2.83 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 D 8.35 4.38 0.00 2.80 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 34 P 0.00 4.28 0.00 2.24 2.13 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 35 H 8.34 4.16 0.00 3.26 3.57 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.58 4.08 0.00 3.10 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 37 Q 8.59 3.94 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 38 T 8.13 3.81 4.35 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 1.17 0.00 0.00 39 R 8.01 3.75 0.00 1.71 1.81 0.00 3.03 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 40 A 7.84 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.89 3.73 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 1.18 0.00 0.00 42 V 7.84 3.52 2.17 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 0.99 0.00 0.00 0.92 0.00 0.00 43 I 7.88 3.99 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.90 0.87 0.00 0.00 44 K 8.27 3.83 0.00 1.84 1.98 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.14 3.90 0.00 2.28 2.03 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 2.29 2.38 0.00 46 Q 7.91 3.98 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 47 R 8.33 4.06 0.00 1.80 2.10 0.00 3.28 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 48 A 8.19 3.98 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 49 E 8.20 3.86 0.00 2.18 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 2.29 2.39 0.00 50 L 7.95 3.91 0.00 1.91 1.66 0.92 0.71 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 51 A 8.18 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.23 3.88 0.00 2.00 1.87 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.63 7.81 53 H 8.23 4.11 0.00 3.25 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.26 4.21 0.00 3.36 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.03 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 1.00 0.00 0.00 1.02 0.00 0.00 56 S 8.44 4.30 0.00 4.06 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 57 V 8.11 3.68 2.27 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 1.38 0.00 0.00 0.88 0.00 0.00 58 L 8.10 4.02 0.00 2.12 1.87 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.31 4.72 0.00 3.44 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.51 4.08 0.00 3.98 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 61 D 8.38 4.77 0.00 3.00 2.98 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 0.00 0.00 0.00 0.00 62 Y 7.56 3.45 0.00 1.43 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 63 F 7.87 4.06 0.00 3.23 2.27 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 64 K 8.06 4.65 0.00 1.38 1.49 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.11 7.81 65 P 0.00 4.44 0.00 2.14 2.18 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 66 P 0.00 4.22 0.00 1.95 2.02 0.00 3.30 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 67 H 7.94 4.35 0.00 2.85 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.43 4.40 0.00 3.07 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 69 E 8.24 4.13 0.00 2.00 2.10 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 2.31 2.32 0.00 70 K 8.24 4.06 0.00 1.61 1.71 0.00 1.64 0.00 0.00 1.45 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.99 7.81 71 Y 8.25 4.86 0.00 3.11 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 72 P 0.00 4.57 0.00 2.21 2.22 0.00 3.81 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 2.02 1.97 0.00 73 E 8.17 4.28 0.00 2.18 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 0.00 2.40 2.30 0.00 74 L 8.29 4.02 0.00 1.86 1.95 0.66 -0.17 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 75 H 8.27 4.24 0.00 3.22 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.05 3.83 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 77 L 8.12 3.89 0.00 1.87 1.86 1.16 1.01 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 78 V 7.87 3.38 1.53 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 0.44 0.00 0.00 0.99 0.00 0.00 79 N 7.92 3.96 0.00 2.57 2.70 0.00 0.00 7.26 9.28 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 80 D 8.18 4.05 0.00 2.37 1.94 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 81 T 7.61 3.45 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 1.21 0.00 0.00 82 L 7.69 3.94 0.00 1.69 1.62 0.76 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.11 3.90 0.00 1.77 1.77 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.44 7.81 84 A 8.08 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.06 4.06 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.82 0.00 86 S 8.27 4.08 0.00 4.00 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 87 A 7.86 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.12 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.06 3.91 0.00 1.96 2.00 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.59 7.81 90 G 7.70 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.18 4.77 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.47 4.28 0.00 1.78 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81 93 D 8.36 4.59 0.00 2.66 2.55 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 0.00 94 P 0.00 5.18 0.00 2.20 2.10 0.00 3.94 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 95 A 8.63 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.35 4.04 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 1.22 0.00 0.00 97 G 8.20 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 98 Q 8.42 4.00 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 99 K 8.25 3.82 0.00 1.89 1.86 0.00 1.77 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.35 7.81 100 A 8.07 4.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 3.96 0.00 1.92 1.75 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.39 4.31 0.00 2.68 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 0.00 0.00 0.00 0.00 103 Y 7.97 4.18 0.00 3.25 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 0.00 104 I 8.20 3.76 2.03 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 1.49 0.69 0.93 0.00 0.00 105 A 8.37 4.18 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 0.00 106 Q 7.90 4.03 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 107 I 7.90 3.77 2.07 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 1.45 0.83 1.09 0.00 0.00 108 D 8.69 4.37 0.00 2.87 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 0.00 109 K 8.29 4.13 0.00 2.05 2.01 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.58 7.81 110 I 7.63 3.54 1.84 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.74 -0.03 0.00 0.00 111 F 8.66 3.98 0.00 3.01 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 0.00 112 W 8.17 4.30 0.00 3.44 3.27 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 0.00 113 E 8.37 4.26 0.00 2.34 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 0.00 2.46 2.68 0.00 114 T 7.65 4.44 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 115 K 7.56 4.08 0.00 1.97 2.00 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.44 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.60 0.94 7.81 116 K 7.68 4.38 0.00 1.95 1.91 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.73 7.81 117 A 7.72 4.14 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