NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3174 8.4444 118.7995 55.5340 31.6800 174.8119 3 S 4.3684 7.6182 114.6159 55.4260 65.3059 172.4365 4 K 3.8262 8.8890 129.6895 59.6593 33.0262 177.8891 5 R 3.9821 7.9623 113.4908 58.0025 29.3782 176.9738 6 N 4.8300 8.0389 115.4283 52.9100 38.9724 174.4251 7 K 4.4344 7.8155 120.6661 54.4870 33.2107 174.6721 8 P 4.7919 0.0000 0.0000 63.5497 32.1736 175.3967 9 G 4.0612 8.5541 108.4162 45.6937 0.0000 171.7587 10 K 5.1295 8.3234 118.9981 54.3402 34.0590 176.7700 11 A 4.6747 8.7760 126.6133 52.4067 19.4028 176.6239 12 T 4.8404 9.0344 111.0160 59.9854 73.1031 173.5740 13 G 3.8973 9.0704 107.5076 45.2692 0.0000 173.2032 14 K 4.1425 9.4060 119.5612 55.6039 33.5087 177.8573 15 G 4.2422 8.2442 106.8327 45.1732 0.0000 172.4764 16 K 4.6616 7.9855 116.0889 53.9037 36.3676 174.1106 17 P 4.7630 0.0000 0.0000 62.8435 31.7999 176.3033 18 V 4.6388 8.0314 114.4685 59.5547 35.9756 175.1771 19 G 4.3479 8.0570 109.4211 44.8105 0.0000 173.5149 20 D 4.9666 9.1476 118.1881 56.5718 41.2988 177.0742 21 K 4.4323 8.0720 117.1636 56.6686 31.4573 177.9335 22 W 4.4932 8.0726 130.6384 61.6865 30.2603 177.8318 23 L 3.3882 7.7759 116.9683 56.4794 40.9794 178.9472 24 D 4.3946 7.4612 118.4279 57.4122 40.7926 178.1804 25 D 4.3772 8.3498 119.1025 57.1937 40.8563 178.5780 26 A 4.3706 7.6683 121.4772 54.6669 18.0129 178.7890 27 G 3.9423 7.5406 104.0786 45.4266 0.0000 173.4774 28 K 4.7296 7.8387 119.0429 55.0826 36.5930 178.1663 29 D 4.3267 8.1663 121.1986 56.3375 39.9940 175.1247 30 S 4.4196 8.9119 123.6863 59.2365 62.7565 173.8067 31 G 3.8585 8.3667 107.4363 44.3400 0.0000 172.7662 32 A 4.6825 8.5255 120.3504 50.2669 20.1268 175.8431 33 P 4.8056 0.0000 0.0000 62.4265 33.0586 176.0580 34 I 4.0393 8.3168 121.6386 60.5614 38.2987 174.2470 35 P 4.5045 0.0000 0.0000 62.2420 32.0117 176.7592 36 D 4.9351 8.7634 125.0030 56.4563 38.4923 179.8168 37 R 3.8512 7.7486 118.4759 58.8635 30.0573 178.9798 38 I 3.5014 7.4935 119.0634 64.1560 37.2522 178.0225 39 A 4.0552 8.0467 121.6461 55.3058 17.9373 179.3244 40 D 4.3375 8.0542 116.6470 57.5604 40.9327 178.9135 41 K 4.1496 7.3834 117.7724 58.8118 32.5155 178.6975 42 L 4.4933 7.9838 118.1781 54.8080 42.1808 177.1595 43 R 4.2896 7.4382 118.1187 57.9278 30.3742 176.9040 44 D 4.6587 9.1077 120.8074 54.3937 39.9354 174.6306 45 K 4.0953 7.7644 119.5892 56.0475 33.3370 175.5970 46 E 4.6095 8.1938 124.5183 55.0353 31.1217 175.0803 47 F 5.0247 8.7593 125.1755 55.5769 42.0003 176.3854 48 K 4.2719 9.1103 121.4927 58.5283 33.6292 177.0840 49 S 4.8580 7.6477 111.9703 56.3678 67.0830 175.3375 50 F 4.2303 9.3587 125.3846 61.5741 39.0627 176.8988 51 D 4.3495 8.3425 117.3015 57.4658 41.0401 177.8888 52 D 4.4596 8.2466 119.1975 57.1471 40.8279 178.4193 53 F 3.0068 8.0709 120.9763 60.7988 39.4199 176.8983 54 R 3.4331 7.6924 118.5568 59.2900 29.7797 178.0353 55 K 4.2024 8.2573 120.2229 58.9894 32.1336 178.4040 56 A 3.9298 7.7462 120.6972 54.9531 18.1621 179.6303 57 V 3.0575 7.0671 116.6131 65.9994 31.4284 178.4653 58 W 4.4616 7.5598 118.0450 59.7207 28.7171 178.4732 59 E 4.1402 8.5118 118.8825 59.4917 28.6331 179.2599 60 E 3.9569 8.1108 117.9359 59.0477 29.9195 178.9548 61 V 3.7810 8.0767 119.0057 66.2337 31.3824 178.1596 62 S 4.2260 8.1853 112.5579 61.4168 62.7737 176.0186 63 K 4.3909 7.6373 119.7857 56.1199 32.3666 176.1133 64 D 4.7047 7.5151 120.0950 51.7668 41.0180 174.9814 65 P 4.4881 0.0000 0.0000 65.9857 30.9206 178.1404 66 E 4.0776 8.2829 117.7432 58.8238 29.6582 178.6382 67 L 4.2783 7.9290 118.7797 57.4568 42.1000 179.1783 68 S 4.3054 8.7819 114.4305 60.7143 62.8474 176.3843 69 K 4.1369 7.6533 120.6343 59.1522 32.5949 177.1978 70 N 4.8340 7.7057 116.5600 52.9020 38.6892 174.0402 71 L 4.9339 7.6897 118.8113 52.8041 44.0277 176.8141 72 N 4.7497 8.3778 120.1703 51.4428 39.9878 174.3175 73 P 4.2476 0.0000 0.0000 66.0909 31.3827 179.0968 74 S 4.1509 8.0677 113.1265 61.7739 62.8588 176.3983 75 N 4.4807 8.5897 119.1745 56.0086 38.2451 177.4342 76 K 3.9254 8.4466 120.4770 59.8198 31.9857 179.2561 77 S 4.1188 7.9338 113.7113 61.6123 63.0887 176.5177 78 S 4.2673 8.0082 115.3037 61.7200 62.2944 176.8018 79 V 4.0761 7.8693 116.0088 63.7209 30.9941 178.7362 80 S 4.2061 7.9395 114.5506 60.9462 62.6712 175.7077 81 K 4.1945 7.4446 118.6162 55.6982 31.9902 177.6539 82 G 4.0174 7.9609 108.2444 45.8343 0.0000 173.5204 83 Y 4.6220 7.2662 117.1846 57.1858 38.7607 174.9338 84 S 2.7900 8.1777 117.5778 56.9592 63.3510 172.2340 85 P 4.5380 0.0000 0.0000 62.3370 32.7973 175.3408 86 F 4.6118 9.1739 121.0050 57.7441 39.4443 175.7834 87 T 4.0563 8.1156 113.9488 59.7681 70.3178 172.7433 88 P 4.3383 0.0000 0.0000 62.3732 32.2358 177.4470 89 K 3.9402 8.9195 122.9325 59.8197 31.9787 178.1433 90 N 4.5626 8.1055 112.7914 54.3942 37.5746 175.0601 91 Q 4.4629 8.2075 117.8027 55.8032 29.6729 175.3528 92 Q 4.5639 7.6272 117.5666 55.0553 29.9997 176.0983 93 V 4.1905 8.1045 119.5241 61.6272 33.9136 176.1309 94 G 3.6679 8.3861 119.8554 46.9315 0.0000 173.9119 95 G 3.6600 8.8340 113.1532 46.0747 0.0000 173.2027 96 R 4.3065 8.0203 120.7656 54.9326 29.5650 176.6777 97 K 4.5586 8.2866 120.8086 55.6294 33.9952 176.2287 98 V 4.5239 7.0393 111.0802 58.8154 35.0359 175.0501 99 Y 4.2942 7.9926 120.2840 58.7736 38.5351 175.9201 100 E 4.9193 9.5501 122.4952 54.5161 32.9950 175.1387 101 L 4.9274 8.8029 123.8183 54.6359 42.9390 175.6380 102 H 4.9712 9.2978 123.5420 54.6164 33.1934 171.9877 103 H 4.9415 8.5014 122.1592 54.6542 28.9724 174.4306 104 D 4.3321 8.8401 124.6809 56.8451 41.9740 176.5135 105 K 4.3095 8.6601 122.1611 53.9603 32.6883 173.9996 106 P 4.5326 0.0000 0.0000 62.5907 32.1562 177.5630 107 I 3.8304 8.5598 122.1639 63.9119 37.1418 178.5984 108 S 4.1190 7.9957 113.0000 60.4080 62.8580 174.6796 109 Q 4.4205 8.0657 118.6222 55.6432 28.8510 176.0554 110 G 3.8873 8.3488 105.9527 45.1631 0.0000 174.6741 111 G 4.1086 7.9797 108.5919 44.7041 0.0000 173.2132 112 E 4.2814 8.3851 121.2987 55.6044 30.3609 177.4734 113 V 3.2017 8.4059 123.7737 65.5996 31.9340 176.3016 114 Y 4.2886 7.7130 114.3509 57.4173 38.5219 174.3181 115 D 5.0339 7.7681 120.7564 52.9431 41.3355 176.9354 116 M 4.1986 9.1880 128.0606 57.9397 32.1532 178.2679 117 D 4.5111 8.4590 117.6920 56.0802 41.3031 176.2166 118 N 4.8512 8.4491 117.9323 53.2235 39.9356 173.8046 119 I 5.0016 7.5069 117.2773 59.9777 40.0508 175.1373 120 R 4.9597 9.1522 123.7630 54.5361 34.9286 174.1206 121 V 4.8283 8.9890 121.8434 61.8250 33.3630 174.9201 122 T 5.3730 9.1279 117.8686 59.9106 72.4758 173.4528 123 T 4.2523 8.3874 112.6586 60.8101 70.2902 173.7883 124 P 4.2101 0.0000 0.0000 65.8492 31.3907 178.6516 125 K 3.8410 7.9597 118.0138 59.6468 32.0193 178.7626 126 R 3.8799 7.8200 118.3500 59.6249 30.0697 177.8703 127 H 4.1826 8.5487 118.4023 59.3442 29.6338 177.2624 128 I 3.6793 7.7189 120.5278 64.5682 37.3788 177.8647 129 D 4.4917 7.9697 119.1828 57.2534 40.6237 178.7700 130 I 3.6771 8.0157 120.6452 64.8396 37.0114 177.8535 131 H 4.4999 7.9871 113.6729 57.1101 28.5306 176.7451 132 R 4.5917 7.5960 119.2175 55.6077 30.8090 176.1606 133 G 4.0501 7.9705 114.1946 45.9092 0.0000 174.0009 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 2 E 8.44 4.32 0.00 2.10 2.14 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 2.18 2.31 0.00 3 S 7.62 4.37 0.00 3.90 3.71 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 0.00 0.00 0.00 4 K 8.89 3.83 0.00 1.78 1.73 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 5 R 7.96 3.98 0.00 1.97 1.99 0.00 3.01 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 6 N 8.04 4.83 0.00 2.92 2.94 0.00 0.00 6.85 7.20 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 7 K 7.82 4.43 0.00 1.79 1.87 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.59 7.81 8 P 0.00 4.79 0.00 2.00 2.06 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 9 G 8.55 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.32 5.13 0.00 1.62 1.71 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 11 A 8.78 4.67 1.63 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 0.00 0.00 12 T 9.03 4.84 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 1.25 0.00 0.00 13 G 9.07 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 0.00 0.00 0.00 14 K 9.41 4.14 0.00 1.80 1.80 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.36 7.81 15 G 8.24 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 0.00 0.00 0.00 0.00 16 K 7.99 4.66 0.00 1.82 1.65 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.42 7.81 17 P 0.00 4.76 0.00 2.02 1.95 0.00 3.61 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 2.01 2.18 0.00 18 V 8.03 4.64 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 0.65 0.00 0.00 0.43 0.00 0.00 19 G 8.06 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 0.00 0.00 0.00 0.00 20 D 9.15 4.97 0.00 2.72 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 21 K 8.07 4.43 0.00 1.98 2.07 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.61 7.81 22 W 8.07 4.49 0.00 3.44 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 23 L 7.78 3.39 0.00 1.48 1.11 0.49 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.46 4.39 0.00 3.00 2.74 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 25 D 8.35 4.38 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 26 A 7.67 4.37 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 27 G 7.54 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 28 K 7.84 4.73 0.00 1.81 1.68 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.38 7.81 29 D 8.17 4.33 0.00 2.79 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 0.00 0.00 0.00 30 S 8.91 4.42 0.00 3.89 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 31 G 8.37 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 32 A 8.53 4.68 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 33 P 0.00 4.81 0.00 2.15 2.14 0.00 3.97 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 2.12 2.08 0.00 34 I 8.32 4.04 1.92 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 1.60 1.50 0.92 0.00 0.00 35 P 0.00 4.50 0.00 1.76 1.45 0.00 3.36 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.62 0.00 36 D 8.76 4.94 0.00 2.88 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 37 R 7.75 3.85 0.00 1.72 1.92 0.00 3.01 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 38 I 7.49 3.50 1.84 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 1.27 0.54 0.74 0.00 0.00 39 A 8.05 4.06 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 40 D 8.05 4.34 0.00 2.79 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 41 K 7.38 4.15 0.00 1.79 1.85 0.00 1.75 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 42 L 7.98 4.49 0.00 1.84 1.99 0.56 1.03 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 43 R 7.44 4.29 0.00 1.92 1.91 0.00 3.27 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 44 D 9.11 4.66 0.00 2.82 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 K 7.76 4.10 0.00 1.62 1.18 0.00 1.74 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.50 7.81 46 E 8.19 4.61 0.00 1.82 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 2.11 2.31 0.00 47 F 8.76 5.02 0.00 2.73 2.99 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 48 K 9.11 4.27 0.00 1.93 1.98 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.65 7.81 49 S 7.65 4.86 0.00 4.16 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 50 F 9.36 4.23 0.00 3.05 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 51 D 8.34 4.35 0.00 2.89 2.74 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 52 D 8.25 4.46 0.00 3.21 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 53 F 8.07 3.01 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.69 3.43 0.00 1.61 2.02 0.00 3.27 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 55 K 8.26 4.20 0.00 2.04 2.01 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.43 7.81 56 A 7.75 3.93 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 57 V 7.07 3.06 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 0.27 0.00 0.00 -0.09 0.00 0.00 58 W 7.56 4.46 0.00 3.51 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 59 E 8.51 4.14 0.00 2.01 2.01 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 2.35 2.60 0.00 60 E 8.11 3.96 0.00 1.96 1.93 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 2.48 2.38 0.00 61 V 8.08 3.78 2.59 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 1.41 0.00 0.00 1.09 0.00 0.00 62 S 8.19 4.23 0.00 4.09 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 63 K 7.64 4.39 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 64 D 7.52 4.70 0.00 2.79 2.51 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 65 P 0.00 4.49 0.00 2.30 2.30 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 66 E 8.28 4.08 0.00 2.07 2.01 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 2.32 2.45 0.00 67 L 7.93 4.28 0.00 1.67 1.71 0.54 0.34 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 68 S 8.78 4.31 0.00 4.05 4.44 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 69 K 7.65 4.14 0.00 2.00 2.17 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.72 1.51 7.81 70 N 7.71 4.83 0.00 3.04 2.92 0.00 0.00 6.67 6.62 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 71 L 7.69 4.93 0.00 1.79 1.61 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.38 4.75 0.00 2.93 2.98 0.00 0.00 6.17 7.76 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 73 P 0.00 4.25 0.00 2.18 2.17 0.00 3.61 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 2.12 2.21 0.00 74 S 8.07 4.15 0.00 3.85 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 75 N 8.59 4.48 0.00 2.96 2.92 0.00 0.00 7.05 7.18 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 76 K 8.45 3.93 0.00 2.01 1.90 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.68 7.81 77 S 7.93 4.12 0.00 4.05 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 78 S 8.01 4.27 0.00 4.11 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 79 V 7.87 4.08 2.46 0.00 0.00 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 1.11 0.00 0.00 80 S 7.94 4.21 0.00 4.00 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 81 K 7.44 4.19 0.00 0.81 1.04 0.00 1.62 0.00 0.00 1.26 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.36 7.81 82 G 7.96 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 0.00 0.00 0.00 83 Y 7.27 4.62 0.00 3.03 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 84 S 8.18 2.79 0.00 3.61 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.54 0.00 2.14 2.01 0.00 2.20 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 1.58 1.41 0.00 86 F 9.17 4.61 0.00 2.90 2.99 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 87 T 8.12 4.06 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 0.06 0.00 0.00 88 P 0.00 4.34 0.00 2.18 2.02 0.00 3.56 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 2.15 2.12 0.00 89 K 8.92 3.94 0.00 1.76 1.81 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.44 7.81 90 N 8.11 4.56 0.00 2.84 2.91 0.00 0.00 5.88 7.39 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 91 Q 8.21 4.46 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 92 Q 7.63 4.56 0.00 2.13 2.09 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 2.30 2.52 0.00 93 V 8.10 4.19 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 0.96 0.00 0.00 0.93 0.00 0.00 94 G 8.39 3.67 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 0.00 0.00 0.00 95 G 8.83 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 96 R 8.02 4.31 0.00 2.01 2.00 0.00 3.04 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 97 K 8.29 4.56 0.00 1.83 1.95 0.00 1.68 0.00 0.00 2.07 0.00 0.00 2.93 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.43 7.81 98 V 7.04 4.52 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 -0.16 0.00 0.00 0.71 0.00 0.00 99 Y 7.99 4.29 0.00 2.68 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 0.00 100 E 9.55 4.92 0.00 1.88 1.90 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 2.26 2.46 0.00 101 L 8.80 4.93 0.00 1.93 1.93 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.30 4.97 0.00 2.94 3.06 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.50 4.94 0.00 2.90 3.27 0.00 5.96 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.84 4.33 0.00 2.65 2.82 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 0.00 105 K 8.66 4.31 0.00 1.77 1.76 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.37 7.81 106 P 0.00 4.53 0.00 2.19 1.96 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 107 I 8.56 3.83 1.69 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.60 0.76 0.00 0.00 108 S 8.00 4.12 0.00 3.94 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 0.00 109 Q 8.07 4.42 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 110 G 8.35 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 0.00 111 G 7.98 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 0.00 0.00 0.00 112 E 8.39 4.28 0.00 1.94 1.88 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 2.29 2.23 0.00 113 V 8.41 3.20 1.68 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 -0.15 0.00 0.00 0.67 0.00 0.00 114 Y 7.71 4.29 0.00 3.15 2.71 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 0.00 0.00 0.00 115 D 7.77 5.03 0.00 2.72 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 0.00 116 M 9.19 4.20 0.00 2.16 2.23 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 2.72 2.83 0.00 117 D 8.46 4.51 0.00 2.81 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 0.00 118 N 8.45 4.85 0.00 2.80 2.86 0.00 0.00 6.82 7.77 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 0.00 119 I 7.51 5.00 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.92 1.12 0.00 0.00 120 R 9.15 4.96 0.00 1.72 1.91 0.00 3.33 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.88 0.00 121 V 8.99 4.83 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 1.04 0.00 0.00 1.04 0.00 0.00 122 T 9.13 5.37 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 1.19 0.00 0.00 123 T 8.39 4.25 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 1.18 0.00 0.00 124 P 0.00 4.21 0.00 2.25 2.12 0.00 3.57 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 2.12 2.29 0.00 125 K 7.96 3.84 0.00 1.90 1.95 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 126 R 7.82 3.88 0.00 2.00 1.91 0.00 3.20 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 127 H 8.55 4.18 0.00 3.36 3.28 0.00 5.66 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 0.00 128 I 7.72 3.68 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.90 0.00 0.00 129 D 7.97 4.49 0.00 2.87 2.71 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 0.00 0.00 0.00 130 I 8.02 3.68 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 0.78 0.00 0.00 131 H 7.99 4.50 0.00 3.12 3.32 0.00 5.62 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.60 4.59 0.00 1.79 1.91 0.00 3.18 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 133 G 7.97 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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