NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2620 8.3144 119.9990 55.9484 34.2624 174.8621 2 E 3.7690 8.4581 119.8931 54.9793 29.9583 175.1138 3 T 4.3097 8.7280 118.2193 61.2102 72.1504 175.0215 4 A 3.9948 8.5291 123.4612 55.3202 18.4385 179.9787 5 A 3.9607 7.9883 118.5503 55.2628 18.4823 179.5709 6 A 3.9770 8.0664 119.3721 55.1364 18.4866 179.6230 7 K 4.0530 8.3532 119.8176 59.0057 32.1505 178.6725 8 F 4.0775 8.4332 120.7554 61.3707 39.3519 176.8701 9 E 4.0329 8.3703 118.1652 59.5425 29.0819 179.4436 10 R 3.8843 8.0623 117.6516 59.5705 30.2693 178.2274 11 Q 3.9459 8.3244 116.7857 57.8866 29.0566 176.2187 12 H 4.6503 7.9904 113.9631 53.8599 31.3924 173.0813 13 M 4.8945 7.9544 118.6499 53.7589 33.8540 176.2542 14 D 4.7690 9.3170 122.8041 52.9131 41.5117 175.6941 15 S 4.4442 8.5243 117.2321 59.5816 63.6345 175.5990 16 S 4.3997 7.9028 114.8250 59.8024 63.2801 174.2467 17 T 4.7492 7.5046 110.0329 59.8976 71.4896 173.8779 18 S 4.2786 8.5016 116.3353 59.6071 63.8445 173.3128 19 A 3.7355 6.8763 121.2674 51.0460 21.3202 175.2747 20 A 3.3665 8.5558 123.8983 52.1130 18.5968 178.1987 21 S 4.5357 8.4195 115.9552 58.4757 64.3731 173.6735 22 S 4.5948 7.3416 114.7214 57.3686 65.0011 175.8496 23 S 4.2607 8.6239 115.3684 60.9672 62.9615 174.8052 24 N 4.6595 7.9866 117.9029 53.8037 38.9928 175.9852 25 Y 3.9721 8.1503 120.7954 61.1909 38.7313 177.6103 26 C 4.2204 8.3114 116.8181 60.0687 37.6221 175.8250 27 N 4.4556 8.2216 117.4788 56.5753 38.1145 177.3593 28 Q 3.9146 8.0666 119.2114 59.2512 28.7437 178.7486 29 M 3.7425 7.9190 121.3093 57.8254 31.7789 178.7081 30 M 4.0086 8.2338 119.3273 58.1256 32.0774 178.8184 31 K 3.9110 7.7071 119.6259 59.6285 32.5949 179.1449 32 S 4.1382 8.1839 114.7121 61.1853 62.6076 175.5952 33 R 4.3525 7.9396 118.8743 55.4677 30.0131 176.1706 34 N 4.3419 7.9251 115.0453 54.3867 35.8599 175.3227 35 L 4.2371 7.9764 118.8317 56.4025 41.9484 178.4227 36 T 5.5647 7.5678 107.0900 60.4815 69.2423 175.1626 37 K 4.1521 8.3674 124.0525 60.1734 32.3553 177.5709 38 D 4.6234 8.0385 116.3726 56.0906 41.7451 176.2084 39 R 3.9285 7.3772 112.9325 55.4017 31.6281 174.4207 40 C 4.9847 8.6832 116.3827 55.4484 39.6600 173.8843 41 K 4.1830 8.1005 128.0980 55.7294 32.4237 175.0011 42 P 4.6215 0.0000 0.0000 65.7155 32.2924 176.6154 43 V 5.1432 7.5430 110.6388 59.7643 35.9399 174.3333 44 N 4.6515 8.8784 120.1719 52.8955 42.7174 173.1011 45 T 4.8473 7.8812 120.9970 61.6050 71.9645 172.7585 46 F 4.8751 9.0102 124.3820 55.5909 42.3557 174.4368 47 V 4.6132 9.1068 123.1606 61.2425 33.4751 175.5195 48 H 5.6540 8.9998 128.1178 53.6961 26.2510 173.3600 49 E 4.7861 7.7153 118.5159 53.3346 34.6871 176.2554 50 S 4.3660 8.3802 114.8950 58.1390 65.0464 174.9055 51 L 3.9784 8.5292 124.7279 58.5351 41.9062 179.1649 52 A 4.1950 8.0568 120.0786 55.4931 18.0619 179.2175 53 D 4.3209 7.8847 116.1464 57.2930 41.1684 178.7896 54 V 3.8232 7.7776 118.5027 65.8621 31.7275 178.0761 55 Q 3.8875 8.7354 117.9751 58.8526 28.5789 178.5880 56 A 4.0614 8.1994 121.3419 54.5018 18.2258 179.6515 57 V 3.4700 7.6589 117.0749 65.8758 31.3242 176.9211 58 C 3.7031 7.6863 114.7496 57.9956 39.8399 174.1248 59 S 4.6494 7.4060 114.4971 57.8803 63.9010 174.7307 60 Q 4.3147 7.5105 121.9054 56.2671 30.4988 177.3166 61 K 4.2649 8.0227 130.6521 56.8650 32.9860 175.9699 62 N 4.4600 8.8048 127.5227 53.6519 39.1793 174.3925 63 V 4.5795 8.2872 118.0472 59.3680 36.7677 174.5972 64 A 4.2703 8.4001 125.5848 52.1300 19.0597 178.5803 65 C 4.6961 8.9869 119.8711 56.1975 41.0958 175.2573 66 K 3.7633 9.2175 121.4339 59.5334 31.5511 178.1735 67 N 4.5735 8.0394 113.3117 52.8673 37.6377 175.6062 68 G 3.9910 8.1497 108.5236 45.5852 0.0000 174.5202 69 Q 4.1352 8.3588 119.0913 56.5980 29.1678 176.7732 70 T 4.5314 8.3524 109.3821 61.6304 69.1506 173.9704 71 N 5.0019 7.9099 118.2248 53.6886 38.6075 174.7708 72 C 5.2990 7.3872 116.0263 56.7313 44.4283 172.5709 73 Y 5.0898 8.9227 118.2493 56.4738 42.2461 173.8396 74 Q 5.1493 9.4417 125.8282 54.0154 31.4877 174.8728 75 S 4.3831 8.7259 121.9262 58.6379 63.1246 174.2330 76 Y 4.5115 8.9609 121.9022 60.6717 37.9061 176.5374 77 S 5.0737 7.7887 113.6526 56.6071 65.5455 174.5028 78 T 4.0867 8.2579 111.7188 62.1830 69.7828 173.4030 79 M 5.0439 9.1330 121.2571 53.5011 37.2239 174.4779 80 S 4.9371 9.4054 117.1840 58.2166 63.6064 173.1171 81 I 5.2331 9.1030 120.3675 59.4926 41.7092 174.2457 82 T 5.0292 8.9869 119.5446 62.0050 71.5570 172.9344 83 D 4.9728 9.6554 127.7932 53.5327 43.0374 174.9076 84 C 5.5186 9.4756 120.4570 55.3001 41.6192 173.1611 85 R 5.3147 8.8736 122.7399 53.9197 33.2312 174.8910 86 E 4.1104 9.3207 126.0130 56.6559 30.4994 176.4897 87 T 4.4025 8.5238 116.8796 60.1554 70.8869 176.0767 88 G 3.6074 8.6822 110.5149 48.3165 0.0000 174.7088 89 S 4.4040 7.4383 112.9897 58.7121 63.3081 174.4415 90 S 4.0324 7.6865 116.8368 57.9340 62.6088 173.6150 91 K 4.3054 8.7347 129.0726 55.0448 33.7968 174.3974 92 Y 4.2679 8.7181 127.9613 57.7698 38.9510 174.2083 93 P 3.2394 0.0000 0.0000 62.8194 32.2243 176.8284 94 N 4.6203 7.9998 120.2421 52.1920 36.9516 173.3897 95 C 4.6037 7.8237 116.9127 56.6768 41.7383 173.3278 96 A 5.0689 8.5334 124.8753 50.4812 22.1639 174.5799 97 Y 5.1611 9.6551 117.8993 56.1471 42.5624 174.6596 98 K 4.5338 9.5209 123.7804 55.6270 34.1571 175.2249 99 T 5.0844 8.5579 123.9483 62.6414 70.1143 174.1820 100 T 4.5929 8.9713 122.8748 61.8232 71.9328 172.6027 101 Q 5.0376 8.6607 127.4740 54.6932 31.1411 174.0279 102 A 4.5694 8.6549 125.8145 51.4316 23.7488 174.6361 103 N 5.4378 8.6834 115.9245 51.8146 40.8478 174.4966 104 K 4.7726 8.8692 122.3649 54.8204 37.5393 175.6252 105 H 4.9785 8.8831 118.7436 55.8223 30.0948 174.7018 106 I 4.9003 8.5914 115.3476 59.3491 40.8759 174.4348 107 I 4.8553 8.1581 124.0311 59.7298 40.2224 175.0857 108 V 4.7162 8.5948 119.4187 59.3275 35.9968 174.2993 109 A 5.1224 8.7259 124.5353 50.7770 20.9317 175.5882 110 C 5.1041 8.7062 119.3159 55.4818 39.1299 173.1805 111 E 4.7903 8.6830 119.0538 56.6916 34.4440 176.2527 112 G 4.0519 9.9026 108.8409 44.8527 0.0000 171.7635 113 N 5.0280 8.1981 116.8860 51.2437 40.4454 172.7743 114 P 4.3199 0.0000 0.0000 62.6982 32.0230 175.9865 115 Y 4.9093 8.2914 122.4351 56.6598 38.9516 174.5858 116 V 4.4238 8.1583 119.4089 58.3370 36.7006 173.4312 117 P 4.3934 0.0000 0.0000 62.9699 30.9830 177.0823 118 V 4.5016 8.7247 115.3962 61.0951 33.9732 175.1648 119 H 5.1341 7.9580 119.4030 54.7117 33.6392 171.5629 120 F 4.5076 8.6950 126.8742 57.2443 39.6197 174.4924 121 D 4.5417 8.4453 126.8790 55.9226 41.8574 175.7456 122 A 4.6561 6.5839 117.3107 51.5315 22.4891 174.5920 123 S 5.1968 8.8676 113.1389 56.7828 65.9680 174.7357 124 V 4.1576 9.1186 115.4406 61.7302 32.0707 175.3296 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 K 8.31 4.26 0.00 1.89 1.91 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.45 7.81 2 E 8.46 3.77 0.00 2.11 1.89 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 2.41 2.38 0.00 3 T 8.73 4.31 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 4 A 8.53 3.99 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 5 A 7.99 3.96 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 0.00 0.00 0.00 0.00 0.00 6 A 8.07 3.98 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 7 K 8.35 4.05 0.00 1.91 2.03 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.32 7.81 8 F 8.43 4.08 0.00 3.23 3.26 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 9 E 8.37 4.03 0.00 2.33 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 2.49 2.66 0.00 10 R 8.06 3.88 0.00 1.79 2.09 0.00 3.36 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 11 Q 8.32 3.95 0.00 1.48 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 12 H 7.99 4.65 0.00 1.94 2.68 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.95 4.89 0.00 1.98 2.17 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 2.71 2.71 0.00 14 D 9.32 4.77 0.00 2.65 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 15 S 8.52 4.44 0.00 3.93 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 16 S 7.90 4.40 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 4.75 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 1.28 0.00 0.00 18 S 8.50 4.28 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.88 3.74 1.04 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 20 A 8.56 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.42 4.54 0.00 3.98 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 0.00 22 S 7.34 4.59 0.00 3.99 3.98 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 23 S 8.62 4.26 0.00 4.03 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 24 N 7.99 4.66 0.00 2.76 2.88 0.00 0.00 6.43 7.37 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 25 Y 8.15 3.97 0.00 3.18 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 26 C 8.31 4.22 0.00 3.18 3.14 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 27 N 8.22 4.46 0.00 3.01 2.92 0.00 0.00 7.11 7.49 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 28 Q 8.07 3.91 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 29 M 7.92 3.74 0.00 0.75 1.26 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.60 0.00 30 M 8.23 4.01 0.00 1.72 1.96 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 2.48 0.00 31 K 7.71 3.91 0.00 1.86 1.90 0.00 1.52 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.46 7.81 32 S 8.18 4.14 0.00 4.00 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 33 R 7.94 4.35 0.00 1.95 2.14 0.00 3.59 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 34 N 7.93 4.34 0.00 2.88 2.95 0.00 0.00 6.96 7.25 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 35 L 7.98 4.24 0.00 1.78 1.64 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.57 5.56 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 1.40 0.00 0.00 37 K 8.37 4.15 0.00 1.78 1.92 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.52 7.81 38 D 8.04 4.62 0.00 2.70 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 39 R 7.38 3.93 0.00 1.81 1.80 0.00 2.92 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 40 C 8.68 4.98 0.00 3.11 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 41 K 8.10 4.18 0.00 2.06 1.78 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.26 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.40 7.81 42 P 0.00 4.62 0.00 2.20 2.33 0.00 3.75 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 2.11 2.03 0.00 43 V 7.54 5.14 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 0.74 0.00 0.00 0.95 0.00 0.00 44 N 8.88 4.65 0.00 2.58 2.24 0.00 0.00 7.02 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 45 T 7.88 4.85 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 0.86 0.00 0.00 46 F 9.01 4.88 0.00 2.93 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 47 V 9.11 4.61 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 0.99 0.00 0.00 1.11 0.00 0.00 48 H 9.00 5.65 0.00 3.12 3.36 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.72 4.79 0.00 1.95 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 2.27 2.29 0.00 50 S 8.38 4.37 0.00 4.07 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 51 L 8.53 3.98 0.00 1.77 1.74 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.06 4.20 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 53 D 7.88 4.32 0.00 2.88 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 54 V 7.78 3.82 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 1.21 0.00 0.00 1.04 0.00 0.00 55 Q 8.74 3.89 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 56 A 8.20 4.06 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 57 V 7.66 3.47 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 0.97 0.00 0.00 58 C 7.69 3.70 0.00 2.83 2.58 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 59 S 7.41 4.65 0.00 3.92 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 60 Q 7.51 4.31 0.00 1.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 61 K 8.02 4.26 0.00 1.93 1.78 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.48 7.81 62 N 8.80 4.46 0.00 2.81 2.66 0.00 0.00 7.01 7.71 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 63 V 8.29 4.58 2.00 0.00 0.00 0.00 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 0.82 0.00 0.00 64 A 8.40 4.27 1.19 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 65 C 8.99 4.70 0.00 3.07 3.16 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 66 K 9.22 3.76 0.00 1.73 1.89 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.56 7.81 67 N 8.04 4.57 0.00 2.81 2.91 0.00 0.00 6.32 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 68 G 8.15 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 69 Q 8.36 4.14 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 70 T 8.35 4.53 4.18 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 1.23 0.00 0.00 71 N 7.91 5.00 0.00 3.07 3.16 0.00 0.00 6.06 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 72 C 7.39 5.30 0.00 2.91 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 73 Y 8.92 5.09 0.00 2.74 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 74 Q 9.44 5.15 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 75 S 8.73 4.38 0.00 3.91 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 76 Y 8.96 4.51 0.00 3.08 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 77 S 7.79 5.07 0.00 3.79 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 78 T 8.26 4.09 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 1.05 0.00 0.00 79 M 9.13 5.04 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 80 S 9.41 4.94 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 81 I 9.10 5.23 1.88 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 1.39 0.80 1.06 0.00 0.00 82 T 8.99 5.03 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 1.26 0.00 0.00 83 D 9.66 4.97 0.00 2.57 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 0.00 0.00 0.00 0.00 84 C 9.48 5.52 0.00 2.77 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 85 R 8.87 5.31 0.00 1.81 1.85 0.00 3.17 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 86 E 9.32 4.11 0.00 1.99 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 2.13 1.93 0.00 87 T 8.52 4.40 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 1.21 0.00 0.00 88 G 8.68 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 0.00 0.00 0.00 89 S 7.44 4.40 0.00 3.88 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 90 S 7.69 4.03 0.00 3.81 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 91 K 8.73 4.31 0.00 1.78 1.60 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.39 7.81 92 Y 8.72 4.27 0.00 2.97 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 93 P 0.00 3.24 0.00 1.76 1.19 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 94 N 8.00 4.62 0.00 2.80 2.75 0.00 0.00 7.00 7.21 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 95 C 7.82 4.60 0.00 3.12 3.03 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 96 A 8.53 5.07 1.09 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 0.00 0.00 97 Y 9.66 5.16 0.00 2.92 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 98 K 9.52 4.53 0.00 1.88 1.90 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.50 7.81 99 T 8.56 5.08 4.31 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 0.00 0.00 1.28 0.00 0.00 100 T 8.97 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 1.23 0.00 0.00 101 Q 8.66 5.04 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 102 A 8.65 4.57 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 0.00 103 N 8.68 5.44 0.00 2.55 2.74 0.00 0.00 6.65 7.61 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 0.00 104 K 8.87 4.77 0.00 1.70 1.70 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.60 7.81 105 H 8.88 4.98 0.00 3.15 3.24 0.00 5.78 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.59 4.90 1.80 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.00 1.13 0.00 0.00 107 I 8.16 4.86 1.76 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 1.14 0.55 0.79 0.00 0.00 108 V 8.59 4.72 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 0.61 0.00 0.00 0.79 0.00 0.00 109 A 8.73 5.12 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 0.00 110 C 8.71 5.10 0.00 1.93 1.65 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 0.00 111 E 8.68 4.79 0.00 1.87 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 2.28 2.23 0.00 112 G 9.90 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 0.00 113 N 8.20 5.03 0.00 2.64 2.69 0.00 0.00 6.88 7.69 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 0.00 114 P 0.00 4.32 0.00 2.09 1.98 0.00 3.73 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 2.03 2.08 0.00 115 Y 8.29 4.91 0.00 2.85 2.83 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 0.00 0.00 0.00 116 V 8.16 4.42 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 0.64 0.00 0.00 0.90 0.00 0.00 117 P 0.00 4.39 0.00 0.49 1.11 0.00 3.29 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 118 V 8.72 4.50 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 0.58 0.00 0.00 0.96 0.00 0.00 119 H 7.96 5.13 0.00 3.31 3.12 0.00 5.85 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 0.00 120 F 8.69 4.51 0.00 2.65 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 0.00 121 D 8.45 4.54 0.00 2.56 2.56 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 0.00 122 A 6.58 4.66 1.18 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 0.00 0.00 123 S 8.87 5.20 0.00 3.97 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 0.00 124 V 9.12 4.16 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 0.66 0.00 0.00 0.98 0.00 0.00