NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 E 4.2423 8.4401 120.2240 55.7768 30.9299 175.1800 1 A 4.2000 8.1979 122.7423 50.7458 19.1945 175.1717 2 S 4.6817 9.1042 114.0861 57.4408 67.2452 171.8810 3 C 4.6657 8.5727 118.3772 55.3164 42.0837 174.5460 4 G 3.9143 8.2626 110.4365 44.2295 0.0000 173.3958 5 S 4.2470 8.6139 114.6579 58.3226 63.1686 173.3383 6 P 3.7863 0.0000 0.0000 61.3380 31.6560 174.6038 7 P 4.2768 0.0000 0.0000 61.6778 31.6113 175.0724 8 P 4.4606 0.0000 0.0000 62.6731 32.0323 175.4529 9 I 4.4301 7.9103 117.6976 58.6853 40.2888 174.1035 10 L 3.9893 8.5615 130.1790 56.4010 41.0021 175.8361 11 N 3.9754 8.9639 121.3963 53.9457 36.0315 173.2984 12 G 4.4730 7.5883 104.5522 44.6628 0.0000 172.4227 13 R 4.8853 9.0114 117.1521 54.3538 34.6179 174.8746 14 I 4.6789 8.0185 121.3029 59.1946 39.9831 175.8158 15 S 4.4545 8.6454 121.3356 57.6629 64.1159 173.3842 16 Y 3.9538 8.5500 121.6783 58.1724 38.9769 175.1101 17 Y 4.8039 6.4657 123.2071 55.4499 41.0098 174.5000 18 S 4.5607 8.5858 117.6078 57.0768 65.1005 173.2469 19 T 4.7992 7.9800 111.3412 58.8526 70.8891 172.2157 20 P 4.4564 0.0000 0.0000 62.9869 32.5844 176.1957 21 I 4.3167 8.3412 122.4705 60.5669 37.8556 175.3768 22 A 4.4152 8.4784 129.3606 51.1264 19.9893 176.6522 23 V 3.7350 8.0877 120.0073 63.7094 31.9811 176.0974 24 G 4.0999 8.8332 115.5816 45.7575 0.0000 174.3298 25 T 4.1392 7.9601 117.6709 63.8496 69.5070 173.5661 26 V 5.3078 8.5461 124.7565 61.1466 34.6477 174.4950 27 I 4.8185 8.7903 119.3276 59.2038 41.2582 174.1404 28 R 5.1805 9.0585 122.7182 54.8284 33.0766 174.5143 29 Y 5.1336 8.7600 120.4956 56.6793 40.5079 175.1226 30 S 4.7450 8.7089 115.2754 57.7035 66.9048 172.1796 31 C 5.3478 8.5039 117.1358 54.8533 41.8834 173.8401 32 S 4.4701 8.1801 114.9635 57.5655 62.8005 175.2468 33 G 3.7222 8.7657 112.4407 48.8035 0.0000 174.4781 34 T 4.1183 7.9443 107.7743 61.4900 69.0974 173.4809 35 F 5.3407 8.0098 119.9060 55.9922 43.0659 174.4957 36 R 4.6603 8.9828 119.0080 54.1840 33.3969 174.8658 37 L 4.4545 8.6803 126.2979 54.9762 43.1526 175.7403 38 I 3.8728 8.7726 127.7485 61.1221 39.4487 175.6572 39 G 3.4122 6.5277 113.1244 43.6720 0.0000 172.7154 40 E 3.9954 8.0724 118.7779 56.6956 29.8776 177.9258 41 K 4.1803 8.7506 122.3718 58.6861 34.2510 176.4063 42 S 5.3414 8.1177 116.8368 56.7373 64.9655 173.4467 43 L 5.0476 8.8721 124.2372 52.8487 44.6640 175.1081 44 L 5.4595 9.5414 124.7817 53.4129 45.3551 174.3427 45 C 4.4772 9.3544 127.5367 55.9451 42.1441 172.2782 46 I 4.8837 8.7017 119.6341 59.3313 41.3386 174.0175 47 T 4.7197 8.0541 115.5311 60.7155 69.4074 173.3332 48 K 4.1856 8.9372 129.5869 57.7443 32.8221 176.6065 49 D 4.7445 7.8308 114.5236 52.1505 40.0101 176.4750 50 K 3.8761 8.1780 117.7763 57.2485 30.5164 175.8677 51 V 4.1376 8.2771 117.9295 63.9842 32.8828 175.2986 52 D 4.9665 8.2020 117.4654 52.3862 42.9275 175.8758 53 G 4.1829 8.4146 109.2166 44.5042 0.0000 172.7383 54 T 4.6993 8.6596 116.7492 59.7206 71.2946 172.9540 55 W 4.8718 8.5884 126.5754 56.5143 30.0068 176.9643 56 D 4.5008 9.4196 124.1224 55.4431 39.2841 175.9742 57 K 4.4554 7.4706 116.5464 55.2563 35.4875 173.3583 58 P 4.3358 0.0000 0.0000 62.1727 31.8561 176.4619 59 A 3.6305 7.9145 123.0909 51.0612 18.9556 175.9221 60 P 4.5364 0.0000 0.0000 61.9619 33.3035 174.9334 61 K 4.6277 8.4322 117.3609 55.5207 36.5353 174.6119 62 C 5.3158 8.6834 118.3369 55.6144 41.5122 173.0105 63 E 4.9754 9.0230 124.3691 54.4273 31.5399 175.1770 64 Y 4.0183 9.0198 125.6478 57.5222 39.4724 175.4944 65 F 4.3092 7.9293 129.3562 58.9143 40.1240 174.0335 66 N 4.3617 8.4261 124.4545 51.0826 39.3028 174.6927 67 K 3.2456 7.1848 125.2106 58.5272 32.7861 177.5949 68 Y 4.4426 7.2062 116.5111 59.4041 38.4895 176.2582 69 S 4.7077 7.4638 116.3045 58.9822 63.4256 174.0151 70 S 4.9115 9.1410 116.5319 57.7898 65.8410 173.0353 71 C 5.0947 8.7161 119.0937 54.3255 42.8371 172.4137 72 P 4.6908 0.0000 0.0000 61.8378 31.9527 175.5885 73 E 4.1333 8.8848 120.1510 55.8844 29.6558 174.5828 74 P 4.4035 0.0000 0.0000 62.2537 32.2783 175.5731 75 I 4.4471 8.0454 121.3756 59.3965 40.2489 175.1703 76 V 3.9633 7.8810 123.6865 59.8867 32.5719 172.8027 77 P 4.3797 0.0000 0.0000 64.0028 31.7051 177.4467 78 G 3.0133 8.9283 110.0183 45.0146 0.0000 172.2967 79 G 4.6247 7.6332 105.6088 44.7581 0.0000 171.4226 80 Y 5.1592 8.8186 116.4617 55.0924 41.6719 174.4012 81 K 3.9781 8.7940 123.5343 56.4173 32.5339 176.5000 82 I 4.3107 8.1819 119.9934 60.5008 38.9095 175.4426 83 R 4.3103 7.2498 119.6802 56.0933 32.7118 172.5423 84 G 4.3406 8.3830 112.4167 44.2636 0.0000 173.2157 85 S 4.5966 8.3695 117.3512 56.2252 65.6128 173.3991 86 T 3.1129 7.9702 121.0640 60.6225 67.8865 172.2686 87 P 4.2379 0.0000 0.0000 62.8767 32.8787 175.5356 88 Y 4.7488 8.3356 119.5153 57.3061 39.1777 175.4628 89 R 4.9569 9.2228 124.9307 54.3142 33.2595 175.6480 90 H 4.5986 8.7320 120.0120 58.2988 29.9009 174.9599 91 G 4.1629 9.1240 116.3135 45.2922 0.0000 173.4401 92 D 4.8623 8.2413 119.9806 54.3842 42.0172 175.6241 93 S 5.0867 8.5412 115.0002 56.5107 66.5504 173.1005 94 V 4.3866 7.9628 119.1392 61.3102 35.0231 174.1801 95 T 4.8590 8.0780 122.3690 61.6993 71.8453 173.0786 96 F 5.1510 8.9323 123.1313 55.6260 42.5063 174.5385 97 A 4.6666 8.3473 121.1433 50.4104 22.5435 174.9749 98 C 4.8835 8.6933 117.3190 56.0505 36.9682 173.8280 99 K 4.5204 8.8968 121.8909 56.1547 33.3865 176.7277 100 T 4.1093 8.3601 118.1846 65.6740 68.7425 174.4772 101 N 4.5226 9.2813 121.5845 53.4094 35.8499 173.2416 102 F 5.2056 8.1140 115.7958 55.6452 42.4419 174.6388 103 S 4.8023 9.1268 116.2856 56.7405 65.4709 172.6059 104 M 4.9446 8.7037 125.9602 54.9052 33.6645 174.7364 105 N 4.8782 9.4057 122.1456 52.7420 42.1141 174.2502 106 G 4.1499 9.0280 108.9812 44.1512 0.0000 172.1658 107 N 4.6190 8.3414 116.4347 52.7523 39.0847 176.1093 108 K 4.2720 8.7785 121.9860 58.9281 33.9535 176.6078 109 S 5.1324 8.0938 115.8286 56.6754 65.9390 173.8071 110 V 4.9269 8.1095 115.2465 59.5229 36.1008 174.5360 111 W 5.3536 9.8957 122.1448 55.0195 32.9672 174.2788 112 C 3.9740 9.2779 124.1925 56.0799 43.2453 173.5238 113 Q 4.7906 8.7441 125.9603 54.5112 29.6907 177.0644 114 A 3.7657 8.7101 122.6995 55.1516 18.3522 178.4877 115 N 4.6106 8.0698 110.9162 52.8174 37.3122 174.6375 116 N 4.1662 8.0659 114.1166 54.9101 36.6954 173.8391 117 M 4.7944 7.6251 115.6772 52.9960 35.8319 175.1223 118 W 4.7959 8.6251 120.9217 56.7628 30.4849 176.6718 119 G 4.2320 8.8290 109.5237 45.0845 0.0000 171.7366 120 P 4.5484 0.0000 0.0000 63.9265 31.5446 175.7243 121 T 4.5608 7.5529 109.6630 59.5968 71.1491 173.8801 122 R 4.1126 8.1585 120.3207 55.6499 30.6763 176.9982 123 L 4.0970 8.1198 119.9504 53.9550 42.2055 175.5718 124 P 4.5896 0.0000 0.0000 63.3346 32.4721 175.3107 125 T 4.5608 8.6772 117.4039 62.0211 71.2048 172.6940 126 C 5.3303 8.7737 123.3366 55.3528 39.8826 173.1805 127 V 4.6174 8.9464 124.6824 60.6500 33.8081 174.7389 128 S 3.5898 8.5680 123.0988 58.0107 62.8592 173.7162 129 I 4.0831 8.1202 120.3862 60.9663 37.0229 175.3497 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 0 E 8.44 4.24 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 2.20 2.25 0.00 1 A 8.20 4.20 1.25 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 0.00 0.00 0.00 2 S 9.10 4.68 0.00 3.92 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 3 C 8.57 4.67 0.00 2.19 2.22 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 4 G 8.26 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 5 S 8.61 4.25 0.00 3.92 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 6 P 0.00 3.79 0.00 1.54 1.01 0.00 3.43 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.34 0.00 7 P 0.00 4.28 0.00 1.91 1.93 0.00 3.32 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 1.89 2.02 0.00 8 P 0.00 4.46 0.00 2.16 2.06 0.00 3.69 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 1.97 1.95 0.00 9 I 7.91 4.43 2.05 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 1.26 1.41 0.97 0.00 0.00 10 L 8.56 3.99 0.00 1.58 1.50 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.96 3.98 0.00 2.21 1.55 0.00 0.00 6.78 8.59 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 12 G 7.59 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.01 4.89 0.00 1.62 1.72 0.00 3.21 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 14 I 8.02 4.68 1.73 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.31 0.48 0.00 0.00 15 S 8.65 4.45 0.00 3.90 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 16 Y 8.55 3.95 0.00 2.93 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 17 Y 6.47 4.80 0.00 3.05 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 18 S 8.59 4.56 0.00 4.08 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 19 T 7.98 4.80 4.29 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 0.00 0.00 1.30 0.00 0.00 20 P 0.00 4.46 0.00 2.10 2.11 0.00 3.78 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 2.00 2.01 0.00 21 I 8.34 4.32 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.75 0.86 0.00 0.00 22 A 8.48 4.42 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 23 V 8.09 3.73 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 0.78 0.00 0.00 0.84 0.00 0.00 24 G 8.83 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 25 T 7.96 4.14 4.28 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 1.43 0.00 0.00 26 V 8.55 5.31 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 0.92 0.00 0.00 1.08 0.00 0.00 27 I 8.79 4.82 1.58 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 1.02 0.50 0.81 0.00 0.00 28 R 9.06 5.18 0.00 1.67 1.86 0.00 3.30 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 29 Y 8.76 5.13 0.00 2.78 2.79 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 30 S 8.71 4.74 0.00 3.88 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 31 C 8.50 5.35 0.00 2.88 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 32 S 8.18 4.47 0.00 4.01 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 33 G 8.77 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.12 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 1.18 0.00 0.00 35 F 8.01 5.34 0.00 3.05 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 36 R 8.98 4.66 0.00 1.54 1.74 0.00 3.20 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.81 0.00 37 L 8.68 4.45 0.00 1.61 1.52 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.77 3.87 1.78 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 1.33 0.98 0.93 0.00 0.00 39 G 6.53 3.41 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 0.00 40 E 8.07 4.00 0.00 1.93 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 2.56 2.38 0.00 41 K 8.75 4.18 0.00 2.08 2.07 0.00 1.52 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.54 7.81 42 S 8.12 5.34 0.00 3.82 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 43 L 8.87 5.05 0.00 1.57 1.54 0.77 -0.14 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 44 L 9.54 5.46 0.00 1.80 1.88 1.05 0.73 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 45 C 9.35 4.48 0.00 1.86 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 46 I 8.70 4.88 1.84 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 1.23 1.02 0.91 0.00 0.00 47 T 8.05 4.72 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 1.17 0.00 0.00 48 K 8.94 4.19 0.00 1.73 1.79 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 49 D 7.83 4.74 0.00 2.75 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 50 K 8.18 3.88 0.00 1.94 1.97 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.34 7.81 51 V 8.28 4.14 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 0.78 0.00 0.00 0.92 0.00 0.00 52 D 8.20 4.97 0.00 2.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 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 0.00 0.00 0.00 0.00 54 T 8.66 4.70 4.19 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 1.17 0.00 0.00 55 W 8.59 4.87 0.00 3.35 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 D 9.42 4.50 0.00 2.71 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 57 K 7.47 4.46 0.00 1.68 1.81 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.34 7.81 58 P 0.00 4.34 0.00 1.98 1.97 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 59 A 7.91 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.54 0.00 1.79 1.86 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 61 K 8.43 4.63 0.00 1.76 1.79 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.21 1.36 7.81 62 C 8.68 5.32 0.00 2.82 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 63 E 9.02 4.98 0.00 2.11 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 2.34 2.31 0.00 64 Y 9.02 4.02 0.00 2.96 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 65 F 7.93 4.31 0.00 2.74 2.53 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 66 N 8.43 4.36 0.00 2.55 2.37 0.00 0.00 6.96 6.17 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 67 K 7.18 3.25 0.00 1.55 1.29 0.00 1.38 0.00 0.00 1.45 0.00 0.00 2.64 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.39 0.34 7.81 68 Y 7.21 4.44 0.00 3.01 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 S 7.46 4.71 0.00 3.70 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 70 S 9.14 4.91 0.00 3.91 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 71 C 8.72 5.09 0.00 2.11 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 0.00 0.00 0.00 72 P 0.00 4.69 0.00 2.33 2.18 0.00 3.78 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 2.27 2.07 0.00 73 E 8.88 4.13 0.00 2.13 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 2.38 2.43 0.00 74 P 0.00 4.40 0.00 1.81 0.49 0.00 3.32 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.44 0.00 75 I 8.05 4.45 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.88 0.00 0.00 76 V 7.88 3.96 1.44 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 0.77 0.00 0.00 -0.35 0.00 0.00 77 P 0.00 4.38 0.00 2.03 1.94 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 78 G 8.93 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 0.00 0.00 0.00 79 G 7.63 4.62 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 80 Y 8.82 5.16 0.00 3.03 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 81 K 8.79 3.98 0.00 1.46 1.63 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.19 0.86 7.81 82 I 8.18 4.31 1.76 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 1.00 0.65 0.57 0.00 0.00 83 R 7.25 4.31 0.00 1.65 1.58 0.00 3.26 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 84 G 8.38 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 0.00 0.00 0.00 0.00 85 S 8.37 4.60 0.00 3.75 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 86 T 7.97 3.11 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 1.11 0.00 0.00 87 P 0.00 4.24 0.00 2.08 1.97 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 88 Y 8.34 4.75 0.00 3.26 3.04 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 89 R 9.22 4.96 0.00 1.82 1.99 0.00 3.33 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 90 H 8.73 4.60 0.00 3.12 3.42 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.12 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 92 D 8.24 4.86 0.00 2.95 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 93 S 8.54 5.09 0.00 2.77 2.63 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 94 V 7.96 4.39 1.22 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 -0.05 0.00 0.00 0.31 0.00 0.00 95 T 8.08 4.86 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 1.14 0.00 0.00 96 F 8.93 5.15 0.00 2.70 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 97 A 8.35 4.67 0.68 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 0.00 0.00 98 C 8.69 4.88 0.00 2.96 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 99 K 8.90 4.52 0.00 1.56 1.75 0.00 1.36 0.00 0.00 1.51 0.00 0.00 2.70 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.53 7.81 100 T 8.36 4.11 4.30 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 1.26 0.00 0.00 101 N 9.28 4.52 0.00 3.02 2.89 0.00 0.00 6.92 8.13 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 0.00 102 F 8.11 5.21 0.00 3.13 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 0.00 103 S 9.13 4.80 0.00 3.83 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 0.00 104 M 8.70 4.94 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 105 N 9.41 4.88 0.00 2.60 2.66 0.00 0.00 7.20 7.13 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 0.00 106 G 9.03 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.34 4.62 0.00 2.81 2.89 0.00 0.00 6.86 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 0.00 108 K 8.78 4.27 0.00 2.02 2.08 0.00 1.41 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.48 7.81 109 S 8.09 5.13 0.00 3.78 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 0.00 110 V 8.11 4.93 2.40 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 0.83 0.00 0.00 0.68 0.00 0.00 111 W 9.90 5.35 0.00 3.47 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 0.00 112 C 9.28 3.97 0.00 2.29 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 0.00 113 Q 8.74 4.79 0.00 2.43 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 114 A 8.71 3.77 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 0.00 115 N 8.07 4.61 0.00 2.83 2.91 0.00 0.00 6.06 8.04 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 0.00 116 N 8.07 4.17 0.00 2.88 3.01 0.00 0.00 6.66 7.44 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 0.00 117 M 7.63 4.79 0.00 2.02 2.06 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 2.49 2.49 0.00 118 W 8.63 4.80 0.00 3.33 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 0.00 119 G 8.83 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 0.00 120 P 0.00 4.55 0.00 2.20 2.17 0.00 3.94 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 2.01 1.86 0.00 121 T 7.55 4.56 4.29 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 0.00 0.00 1.27 0.00 0.00 122 R 8.16 4.11 0.00 1.83 1.90 0.00 3.22 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 123 L 8.12 4.10 0.00 1.46 1.27 0.73 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.59 0.00 1.97 2.21 0.00 3.34 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 125 T 8.68 4.56 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 0.00 126 C 8.77 5.33 0.00 3.00 3.15 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 0.00 0.00 0.00 0.00 127 V 8.95 4.62 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 0.93 0.00 0.00 0.96 0.00 0.00 128 S 8.57 3.59 0.00 3.05 3.44 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 0.00 129 I 8.12 4.08 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.77 0.86 0.00 0.00