NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3319 8.1933 116.7969 57.4381 64.8912 174.2418 2 M 3.3259 8.1783 118.3645 54.5419 29.3480 176.2266 3 T 4.1072 8.2911 113.4931 63.8121 70.1949 173.9994 4 E 4.8349 7.8487 118.9310 54.2624 33.5846 173.8996 5 E 4.7707 8.2380 116.6339 54.3089 32.7912 175.2801 6 Q 4.2888 7.8502 118.1968 55.0965 30.3344 178.2596 7 P 4.6740 0.0000 0.0000 61.7145 32.3615 179.5084 8 V 2.4155 8.2066 114.9408 64.3874 30.9924 177.6016 9 A 4.1603 7.6757 119.5908 55.1594 18.4596 179.2257 10 S 4.2569 8.0853 113.6523 61.2086 62.3566 176.8491 11 W 4.5443 8.0309 121.9549 59.8762 28.7173 177.7237 12 A 4.6908 8.5013 118.6404 52.9132 17.9671 178.6394 13 L 4.4212 7.8607 117.4634 55.7533 42.9083 177.5149 14 S 4.7187 7.6355 112.6037 55.9765 67.5619 174.9837 15 F 3.5882 8.7440 126.8123 60.9157 39.0075 176.6287 16 E 3.7688 8.2662 118.6797 59.5061 29.2121 178.8187 17 R 3.8754 7.9161 117.6716 59.4389 30.0594 177.7905 18 L 3.7677 7.5632 118.5853 58.1075 42.0997 178.2518 19 L 3.7716 7.5139 118.3394 56.4495 42.0445 177.4997 20 Q 4.3572 7.8005 118.1811 56.2893 29.6991 174.6899 21 D 4.7432 7.8151 120.7892 52.4965 42.3528 174.7309 22 P 4.2431 0.0000 0.0000 65.7891 31.3875 178.5586 23 L 4.0398 8.1044 117.1320 57.7549 41.6991 179.4408 24 G 2.3174 8.5594 105.5365 47.4790 0.0000 175.3474 25 L 3.8549 7.8805 123.3686 57.3297 41.9386 178.8214 26 A 3.7973 7.9935 120.8568 55.4633 18.2896 179.2127 27 Y 4.0504 7.6507 114.9170 61.1238 37.9602 178.6830 28 F 3.8456 7.8742 121.5439 61.5358 39.1597 177.1538 29 T 3.8160 7.8677 114.0300 65.6568 68.3582 176.5459 30 E 4.0312 7.9677 120.6718 59.1160 29.3944 179.0541 31 F 4.4929 7.9205 117.5288 59.8530 40.1412 175.8677 32 L 4.6501 7.5466 121.5668 52.5069 38.9124 174.2278 33 K 4.3927 8.6053 127.8909 57.0587 36.8767 178.5771 34 K 4.1035 8.1558 118.7285 58.2694 32.0509 177.5264 35 E 4.3365 8.1490 114.3388 55.3260 31.1208 174.5865 36 F 3.6534 7.6284 120.4367 59.3002 37.2106 174.1405 37 S 4.4026 8.0995 111.0185 57.3125 63.6127 174.9928 38 A 4.1151 7.6050 120.8377 52.8806 18.0254 179.4715 39 E 4.0302 7.4007 116.0286 59.5830 29.1907 179.1699 40 N 4.2911 7.9354 117.0821 56.0208 37.5777 177.5325 41 V 3.6894 7.5792 115.4252 63.8527 31.6411 178.4419 42 T 4.2014 8.3932 112.8233 64.3322 67.1152 176.4259 43 F 3.1723 7.8820 123.0904 60.6025 39.2669 176.8635 44 W 3.9371 8.5250 128.3205 60.4436 30.5225 178.0622 45 K 3.9790 8.8156 118.6742 59.3271 31.4539 179.2436 46 A 3.9589 7.7537 121.1486 55.3666 18.2197 179.5626 47 C 3.9624 7.8006 115.6722 62.6563 28.1129 175.9297 48 E 3.5703 7.9810 121.4485 59.0820 28.8870 178.8675 49 R 3.8813 7.9822 118.2859 59.1492 30.3991 178.1026 50 F 4.3423 8.2610 120.9278 61.2167 39.3348 177.0712 51 Q 4.0853 8.2806 115.4587 58.3161 28.6047 177.5772 52 Q 4.0292 7.6401 121.5327 57.9209 29.3491 176.4267 53 I 3.8159 6.7691 120.7410 60.0354 37.8705 174.1385 54 P 4.2291 0.0000 0.0000 62.2212 31.6985 177.3543 55 A 3.9762 8.5878 125.7720 55.1541 18.6255 178.9257 56 S 4.1932 8.1178 111.3240 61.6672 63.2034 174.9269 57 D 4.6304 7.8285 122.1039 53.0392 39.3487 176.6050 58 T 3.9116 7.7413 120.0987 65.6709 68.8396 175.6464 59 Q 3.9245 7.9558 121.6449 59.1768 29.1057 177.7798 60 Q 3.9680 8.6074 120.8593 59.0462 29.0201 177.9129 61 L 3.7997 7.6763 119.8240 57.8484 41.5867 179.3730 62 A 4.1194 8.3133 120.6932 55.2624 18.2829 179.7509 63 Q 3.9654 8.0328 116.4031 59.2704 28.8133 178.6999 64 E 4.1001 8.7420 120.4175 59.0249 29.5950 178.5371 65 A 4.1277 8.8567 121.7250 55.3685 18.5710 179.9003 66 R 4.0138 8.0483 114.1884 59.3876 29.6197 178.5662 67 N 4.3637 8.0793 117.0075 56.4233 38.5313 177.2019 68 I 3.9519 8.1859 121.0838 64.9219 37.1294 177.4669 69 Y 4.0997 8.4736 120.4331 61.2207 38.6786 178.3589 70 Q 3.9148 8.7256 118.7478 58.5790 28.7762 178.7883 71 E 3.6264 7.9831 120.1041 58.7235 29.6274 178.0240 72 F 5.1978 8.0423 118.0079 57.1061 40.5026 177.0974 73 L 3.9390 7.4142 115.2789 54.4652 43.0646 176.6893 74 S 3.6792 7.5417 114.4978 57.3527 62.8113 174.9806 75 S 4.1825 8.3651 118.5820 60.4211 63.0291 174.9361 76 Q 4.5103 7.7445 119.1902 55.1317 28.9911 175.4058 77 A 4.4759 7.2158 120.0564 52.2285 18.6866 178.9355 78 L 4.1366 8.2691 121.3728 56.7814 42.7122 177.6871 79 S 4.7512 8.2245 115.2692 55.6799 63.4481 170.3439 80 P 4.9179 0.0000 0.0000 62.2200 31.5433 177.4012 81 V 3.8255 8.0045 118.7692 61.0400 32.5298 176.7417 82 N 4.5070 8.5620 122.7989 52.1457 37.4152 174.1306 83 I 4.6222 7.4761 115.6060 58.3057 41.0191 175.4314 84 D 4.5627 8.5345 119.8492 53.3368 38.2786 176.1884 85 R 4.1670 8.4594 125.9286 59.0657 30.7770 178.9361 86 Q 3.9277 8.4291 117.7811 58.7894 28.8809 177.2077 87 A 4.7196 7.8847 116.9420 51.5022 19.4055 176.1371 88 W 4.4316 8.0720 128.4746 57.9802 31.0678 176.0422 89 L 3.7790 6.4028 121.6271 56.3556 42.5459 178.9784 90 G 4.4416 7.0339 104.1585 44.2155 0.0000 176.2029 91 E 3.9488 9.0659 122.7659 58.8421 29.2248 178.0310 92 E 3.8891 8.1201 119.4379 59.1407 29.4809 178.7934 93 V 3.4989 7.4054 117.9848 64.1198 31.5965 177.9208 94 L 4.2010 7.6626 118.4920 57.0171 41.7736 178.4857 95 A 4.3845 7.8986 120.5513 53.5996 19.0764 177.5993 96 E 4.4425 8.0838 116.9158 53.5174 29.9798 172.2217 97 P 4.6448 0.0000 0.0000 62.6400 32.6817 176.6189 98 R 4.6436 8.3643 118.1595 53.8996 32.2760 173.8996 99 P 4.5661 0.0000 0.0000 63.1577 30.9832 176.2034 100 D 4.7136 8.5545 115.0399 54.9200 42.7577 175.8948 101 M 3.8612 7.6738 117.8730 59.3375 32.4795 177.2988 102 F 4.6087 7.5380 113.9847 58.0693 39.5361 177.8300 103 R 3.9047 8.2529 120.4950 59.7233 28.9098 178.5934 104 A 4.0838 8.0166 121.7264 54.6608 18.5143 179.4806 105 Q 4.1685 8.3316 116.1137 58.9923 28.8009 178.6150 106 Q 4.1489 8.7569 121.2595 59.4113 29.0977 178.3672 107 L 4.3242 8.3153 119.7643 57.3501 41.7457 179.1918 108 Q 4.0798 8.4635 120.2498 59.3604 29.0431 178.4957 109 I 3.8291 8.0608 120.7623 64.2412 37.3201 177.8949 110 F 4.0773 8.7176 121.7752 61.8407 39.0117 177.0740 111 N 4.5886 8.6601 114.1410 55.5032 38.4077 177.1392 112 L 4.1262 7.5719 121.4700 58.3237 42.6492 178.4816 113 M 4.1604 8.0861 115.9576 56.9754 31.2543 177.9635 114 K 2.4800 7.1461 120.3542 58.1524 32.2039 176.7644 115 F 4.8922 7.7448 117.3336 57.6263 39.6756 174.3107 116 D 4.5934 7.0115 116.0492 54.7040 43.9061 177.8115 117 S 4.2149 8.1784 115.7611 61.8569 63.1902 175.9663 118 Y 3.7620 7.8664 122.8729 60.5243 38.2728 178.1637 119 A 3.5863 7.6943 119.3972 54.7966 18.6349 179.0261 120 R 3.8876 7.7808 117.3985 59.0891 30.2160 178.3080 121 F 4.1392 8.3398 120.8498 61.4570 39.2612 177.4956 122 V 3.6040 7.3056 109.4533 63.2492 31.4339 177.0724 123 K 4.1041 7.3657 117.9258 57.0360 32.8886 177.2039 124 S 4.2632 7.2932 114.3140 56.6751 63.5593 172.7905 125 P 4.5314 0.0000 0.0000 63.6578 31.4685 175.5996 126 L 4.1006 9.5388 122.8352 57.0768 40.8478 176.3299 127 Y 4.1395 7.7442 118.2198 60.7946 38.6737 177.9109 128 R 3.9313 8.0729 116.2787 59.7288 29.1881 178.3803 129 E 4.2206 7.6085 118.2480 58.6216 29.4941 178.2047 130 C 4.4415 7.8875 114.5094 60.0464 28.8397 174.8064 131 L 4.3711 7.5179 121.1818 55.7427 42.6872 175.2715 132 L 4.4057 7.8791 115.5418 55.4245 43.2202 173.7493 133 A 4.6121 8.7473 118.0073 53.6269 23.7416 177.9004 134 E 3.7937 8.1945 110.4952 56.4658 29.5097 175.5054 135 A 3.7142 6.7599 123.4560 52.5672 18.2668 177.6240 136 E 4.1799 7.8750 118.9893 55.9324 29.6957 176.8411 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 S 8.19 4.33 0.00 3.91 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 2 M 8.18 3.33 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 3 T 8.29 4.11 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 1.27 0.00 0.00 4 E 7.85 4.83 0.00 1.92 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 2.20 2.21 0.00 5 E 8.24 4.77 0.00 2.02 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 2.17 2.30 0.00 6 Q 7.85 4.29 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 7 P 0.00 4.67 0.00 2.02 1.74 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 8 V 8.21 2.42 0.67 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 0.55 0.00 0.00 0.65 0.00 0.00 9 A 7.68 4.16 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 10 S 8.09 4.26 0.00 3.91 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 11 W 8.03 4.54 0.00 3.56 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 12 A 8.50 4.69 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 13 L 7.86 4.42 0.00 1.94 1.81 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.64 4.72 0.00 3.95 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 15 F 8.74 3.59 0.00 1.65 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 16 E 8.27 3.77 0.00 2.17 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 2.43 2.39 0.00 17 R 7.92 3.88 0.00 1.96 2.18 0.00 3.70 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 18 L 7.56 3.77 0.00 1.82 1.73 0.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.51 3.77 0.00 0.27 1.06 0.40 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.80 4.36 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 21 D 7.82 4.74 0.00 3.01 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.22 2.10 0.00 3.73 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 23 L 8.10 4.04 0.00 2.35 2.31 1.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.56 2.32 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 0.00 25 L 7.88 3.85 0.00 1.81 1.61 1.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.99 3.80 1.10 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 27 Y 7.65 4.05 0.00 3.11 3.30 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 28 F 7.87 3.85 0.00 1.89 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 29 T 7.87 3.82 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 1.12 0.00 0.00 30 E 7.97 4.03 0.00 2.02 1.81 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 2.43 2.39 0.00 31 F 7.92 4.49 0.00 3.31 3.10 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 32 L 7.55 4.65 0.00 1.37 1.23 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.61 4.39 0.00 1.97 2.00 0.00 1.34 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.26 7.81 34 K 8.16 4.10 0.00 1.83 1.96 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.53 7.81 35 E 8.15 4.34 0.00 2.09 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 2.24 2.40 0.00 36 F 7.63 3.65 0.00 3.15 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 37 S 8.10 4.40 0.00 3.84 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 38 A 7.61 4.12 1.27 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 0.00 0.00 39 E 7.40 4.03 0.00 2.33 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 2.14 2.12 0.00 40 N 7.94 4.29 0.00 3.05 3.08 0.00 0.00 6.21 7.58 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 41 V 7.58 3.69 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 0.54 0.00 0.00 0.79 0.00 0.00 42 T 8.39 4.20 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 1.48 0.00 0.00 43 F 7.88 3.17 0.00 2.27 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 44 W 8.52 3.94 0.00 3.52 3.42 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 45 K 8.82 3.98 0.00 1.94 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.87 7.81 46 A 7.75 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 47 C 7.80 3.96 0.00 2.62 2.90 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 48 E 7.98 3.57 0.00 1.16 1.74 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 2.06 2.08 0.00 49 R 7.98 3.88 0.00 1.88 2.11 0.00 3.36 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 1.75 1.77 0.00 50 F 8.26 4.34 0.00 3.33 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 51 Q 8.28 4.09 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 52 Q 7.64 4.03 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 53 I 6.77 3.82 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.79 0.00 0.00 54 P 0.00 4.23 0.00 2.12 1.93 0.00 3.54 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 55 A 8.59 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.12 4.19 0.00 3.83 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 57 D 7.83 4.63 0.00 2.65 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 58 T 7.74 3.91 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 1.26 0.00 0.00 59 Q 7.96 3.92 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 60 Q 8.61 3.97 0.00 2.37 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 61 L 7.68 3.80 0.00 1.84 1.63 0.80 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.31 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.03 3.97 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 64 E 8.74 4.10 0.00 2.33 2.42 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 2.58 2.64 0.00 65 A 8.86 4.13 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 0.00 0.00 0.00 0.00 0.00 66 R 8.05 4.01 0.00 2.09 2.25 0.00 2.82 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.74 0.00 67 N 8.08 4.36 0.00 3.12 2.95 0.00 0.00 7.28 8.21 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 68 I 8.19 3.95 1.67 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.95 0.72 0.00 0.00 69 Y 8.47 4.10 0.00 3.37 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 70 Q 8.73 3.91 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.67 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 71 E 7.98 3.63 0.00 1.86 1.31 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 1.47 1.47 0.00 72 F 8.04 5.20 0.00 3.00 2.72 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 73 L 7.41 3.94 0.00 1.27 0.72 1.16 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.54 3.68 0.00 3.51 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 75 S 8.37 4.18 0.00 3.99 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 76 Q 7.74 4.51 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 77 A 7.22 4.48 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.27 4.14 0.00 1.72 1.73 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.22 4.75 0.00 3.61 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 80 P 0.00 4.92 0.00 1.99 2.02 0.00 3.38 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 81 V 8.00 3.83 1.54 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 0.44 0.00 0.00 -0.02 0.00 0.00 82 N 8.56 4.51 0.00 2.63 2.75 0.00 0.00 6.70 7.41 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 83 I 7.48 4.62 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.49 0.83 0.00 0.00 84 D 8.53 4.56 0.00 2.88 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 85 R 8.46 4.17 0.00 1.86 1.99 0.00 2.98 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.44 0.00 86 Q 8.43 3.93 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.42 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 87 A 7.88 4.72 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 88 W 8.07 4.43 0.00 3.54 3.30 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 89 L 6.40 3.78 0.00 0.55 1.23 0.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.03 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 0.00 0.00 0.00 91 E 9.07 3.95 0.00 2.07 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 0.00 2.35 2.34 0.00 92 E 8.12 3.89 0.00 2.00 1.78 0.00 0.00 0.00 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 2.29 0.00 93 V 7.41 3.50 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 1.15 0.00 0.00 0.54 0.00 0.00 94 L 7.66 4.20 0.00 1.70 1.69 0.85 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.90 4.38 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 96 E 8.08 4.44 0.00 1.98 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 2.14 0.00 97 P 0.00 4.64 0.00 2.30 2.29 0.00 3.75 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 2.01 2.01 0.00 98 R 8.36 4.64 0.00 1.91 1.97 0.00 2.91 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 99 P 0.00 4.57 0.00 2.08 2.02 0.00 3.62 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 100 D 8.55 4.71 0.00 2.49 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 0.00 101 M 7.67 3.86 0.00 1.05 1.58 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 102 F 7.54 4.61 0.00 3.00 3.02 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 0.00 103 R 8.25 3.90 0.00 2.07 2.21 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.69 0.00 104 A 8.02 4.08 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 0.00 105 Q 8.33 4.17 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.94 0.00 0.00 0.00 0.00 0.00 3.19 2.84 0.00 106 Q 8.76 4.15 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.06 0.00 107 L 8.32 4.32 0.00 1.95 1.82 0.76 0.88 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 0.00 108 Q 8.46 4.08 0.00 2.38 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 109 I 8.06 3.83 2.39 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.56 1.23 0.00 0.00 110 F 8.72 4.08 0.00 3.48 3.42 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 0.00 111 N 8.66 4.59 0.00 2.94 2.96 0.00 0.00 7.56 8.88 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 0.00 112 L 7.57 4.13 0.00 1.96 1.91 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 113 M 8.09 4.16 0.00 2.46 2.33 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.82 0.00 114 K 7.15 2.48 0.00 1.62 1.94 0.00 1.98 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.39 1.20 7.81 115 F 7.74 4.89 0.00 2.88 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 0.00 116 D 7.01 4.59 0.00 2.83 2.39 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 0.00 117 S 8.18 4.21 0.00 4.42 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 0.00 118 Y 7.87 3.76 0.00 2.11 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 0.00 119 A 7.69 3.59 0.98 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 0.00 0.00 120 R 7.78 3.89 0.00 1.92 2.09 0.00 3.06 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 121 F 8.34 4.14 0.00 3.32 3.09 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 0.00 122 V 7.31 3.60 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 0.66 0.00 0.00 0.68 0.00 0.00 123 K 7.37 4.10 0.00 1.74 1.70 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.34 7.81 124 S 7.29 4.26 0.00 3.38 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 0.00 125 P 0.00 4.53 0.00 2.34 2.25 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 126 L 9.54 4.10 0.00 2.25 1.85 0.56 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.74 4.14 0.00 2.46 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 0.00 128 R 8.07 3.93 0.00 2.03 2.11 0.00 3.00 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 129 E 7.61 4.22 0.00 2.22 2.07 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 2.37 2.42 0.00 130 C 7.89 4.44 0.00 3.01 2.93 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 0.00 131 L 7.52 4.37 0.00 1.85 1.83 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.88 4.41 0.00 1.90 1.57 0.93 0.77 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 0.00 133 A 8.75 4.61 1.27 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 0.00 0.00 134 E 8.19 3.79 0.00 2.08 2.07 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 2.37 2.24 0.00 135 A 6.76 3.71 1.28 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 0.00 0.00 136 E 7.87 4.18 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 2.26 2.27 0.00