NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.6992 8.4444 117.8573 56.0773 28.4238 170.9953 3 M 4.3514 7.9906 119.4835 54.1885 35.1897 169.6569 4 V 4.3200 7.6281 118.3756 60.7887 34.7239 174.3198 5 N 4.8842 8.6694 125.8370 52.9963 39.2573 174.8182 6 M 4.1896 9.1067 126.4081 57.3094 32.4293 176.8636 7 V 3.7571 7.7938 119.1298 62.0210 32.2719 175.6110 8 S 4.1159 8.2071 123.5558 59.3831 64.1754 173.4453 9 N 4.1064 8.6156 120.9983 54.2047 37.1475 173.6140 10 P 4.4283 0.0000 0.0000 64.6461 32.2089 178.0054 11 G 4.1439 7.7904 106.6965 45.3727 0.0000 173.4469 12 F 4.1758 7.4081 116.4529 58.3897 37.0191 177.1702 13 E 4.1721 7.7772 121.2951 58.4068 29.6947 177.3124 14 D 4.9783 8.4958 119.7750 53.9080 42.4548 177.6300 15 G 3.8279 7.3881 111.1149 47.4347 0.0000 175.7200 16 L 4.6758 8.4803 124.3935 54.2678 41.9257 175.7414 17 D 4.5561 7.6195 118.7334 56.5396 41.0250 177.6421 18 S 3.9913 8.9150 118.0163 58.1685 60.8446 169.2014 19 W 4.9409 7.9210 120.6841 54.7877 30.6189 176.1849 20 Q 4.2204 9.4034 124.6680 55.9845 29.7248 174.9723 21 D 4.7186 8.6325 122.6352 52.4603 41.6611 175.2213 22 W 4.7615 8.6497 126.2783 58.2195 29.9033 177.6164 23 Q 4.6248 8.1501 115.7876 54.7142 29.6810 175.4674 24 Q 3.6430 8.4205 114.8537 57.4686 26.2783 173.2993 25 D 4.9133 8.3555 111.2245 54.1531 43.8612 174.8146 26 M 5.2004 8.1787 115.1600 53.1120 35.2445 175.1432 27 S 4.6436 8.6492 115.5441 56.9706 67.1765 172.7436 28 A 4.9922 8.4616 123.8524 50.7001 20.1183 176.6257 29 V 4.3982 8.5215 115.0635 59.4129 36.2511 175.0865 30 P 4.7054 0.0000 0.0000 65.0294 31.4040 178.7248 31 E 3.7912 8.0516 114.5124 58.4014 29.6723 177.2002 32 A 3.0467 7.3844 120.5973 51.1318 19.5201 176.1885 33 A 4.3935 7.6542 120.6699 52.5275 19.0642 176.9606 34 H 3.5157 8.9687 123.2883 57.1253 30.4275 174.8015 35 N 4.6920 7.0685 113.7651 51.7790 41.8782 176.3815 36 G 3.7589 8.1931 107.4485 45.4841 0.0000 173.0304 37 A 4.2414 8.8128 120.4671 53.5983 19.2682 177.4986 38 L 5.2232 8.0915 113.7645 53.1468 45.8697 176.1301 39 G 4.7230 8.5420 107.0381 43.5646 0.0000 170.9146 40 L 4.2677 7.9942 122.3483 53.5134 43.4669 175.0170 41 K 4.8847 8.8816 128.2284 54.7894 34.4822 174.5751 42 I 4.5621 8.4172 129.3612 59.2263 38.9577 175.5414 43 G 3.8987 8.0897 115.7120 45.5267 0.0000 173.4866 44 G 4.0108 7.8870 111.3621 45.0959 0.0000 173.0531 45 G 4.2207 10.1727 108.3943 45.0815 0.0000 173.7620 46 K 4.6569 7.2258 115.6716 55.2935 35.4122 175.5380 47 A 4.1799 8.5441 123.4615 52.2474 18.9401 176.6779 48 A 4.5506 7.3776 122.1094 51.5394 23.7221 176.1660 49 G 3.9805 8.9748 104.1090 48.1481 0.0000 171.8766 50 G 3.4452 7.0046 106.3419 46.7668 0.0000 172.1055 51 G 4.4122 7.2396 104.0029 46.6405 0.0000 171.8109 52 Q 4.8766 8.6175 120.1853 54.7408 32.8243 174.1459 53 D 5.0268 8.7513 126.5914 54.2308 41.8445 176.0022 54 I 4.3851 8.7898 124.3785 58.5210 39.7971 173.6103 55 P 4.0272 0.0000 0.0000 62.4392 31.7077 176.3162 56 L 4.7711 7.4701 121.8091 52.3483 44.7740 176.3494 57 K 4.3698 8.7639 120.7089 55.4823 32.6210 175.8861 58 P 4.5138 0.0000 0.0000 63.2310 31.9780 174.9534 59 N 4.3214 8.5256 113.6817 54.7540 36.8536 174.5341 60 T 4.6125 8.1974 112.8508 62.0235 72.8723 173.5122 61 T 4.6259 8.1518 122.1178 62.8494 70.2011 173.3548 62 Y 5.0041 8.6137 123.8908 56.0793 42.0822 174.5295 63 I 4.8636 8.6304 123.4758 59.9485 39.3876 174.3070 64 L 5.3107 9.1423 129.8012 53.6170 44.0248 175.3960 65 G 4.7084 9.3608 112.0869 45.2790 0.0000 171.0098 66 A 5.4776 8.3531 120.4924 51.8295 23.6186 175.1449 67 W 5.5801 8.9848 118.9496 55.2652 31.6710 175.4560 68 A 5.3215 9.3093 125.1350 50.9213 22.9093 174.8609 69 K 4.6578 8.1924 116.0866 55.9828 36.3106 174.8865 70 F 4.5703 9.0295 122.5895 56.7219 40.5288 175.9788 71 D 4.5064 8.3931 120.7319 53.8707 39.7955 175.9568 72 S 4.4095 7.4886 111.7909 56.8185 65.1113 173.6624 73 K 3.7807 8.4750 126.3687 55.9865 32.0000 175.0241 74 P 4.1865 0.0000 0.0000 61.9786 32.3929 175.8307 75 A 4.2555 8.5538 121.4768 53.5574 20.1830 178.1879 76 G 4.1776 8.5713 106.8902 45.5981 0.0000 172.2314 77 T 5.0544 8.2834 112.9133 59.9780 73.3442 172.5809 78 F 5.3623 9.8636 124.1434 56.6058 42.0204 173.6601 79 D 5.4206 8.6061 125.4085 52.5063 44.2055 175.1569 80 V 4.8240 8.5956 116.4331 59.6115 34.2934 175.0601 81 V 4.8802 8.7522 124.4642 61.1411 35.3173 173.9243 82 V 4.9097 8.4889 127.6476 61.3136 33.3528 174.4350 83 Q 4.8494 9.1194 125.3541 53.6217 32.1597 173.5050 84 Y 5.1139 6.9388 116.8668 56.7787 41.2712 172.6282 85 H 5.2371 9.4426 118.3701 55.4035 30.5059 175.5091 86 L 4.5814 9.1842 122.5942 54.7308 43.3947 176.3361 87 K 4.9071 8.5574 122.9430 55.2636 31.5078 174.9797 88 D 4.5861 8.8277 124.3327 51.7516 42.0566 176.0707 89 A 4.0482 8.8808 120.5426 55.2361 18.5286 178.1941 90 N 4.8676 8.0649 109.5425 51.5019 38.9053 173.5501 91 N 4.6531 7.9813 114.1805 52.9874 36.5801 174.3153 92 T 4.0815 8.2130 114.0357 63.7837 70.3131 174.0895 93 Y 4.7916 8.6045 126.9782 56.8332 40.0826 174.7680 94 V 4.2514 7.9210 119.4935 59.4216 35.3815 174.6770 95 Q 4.3780 7.9850 121.8204 54.3597 32.2862 174.2635 96 H 4.6513 8.8038 122.3402 54.4035 30.2945 174.0417 97 I 4.9250 8.2145 124.3170 59.3453 39.8237 175.0838 98 L 4.4745 9.1685 127.7412 53.3828 43.3612 175.2037 99 N 5.5031 8.5125 121.1456 51.5813 40.8647 174.2243 100 F 5.1871 9.6627 122.1249 55.5631 42.4818 175.2233 101 N 5.3154 9.0757 118.2597 52.6636 39.0060 174.3952 102 E 4.3921 8.6641 119.3054 56.8541 30.4633 176.9463 103 T 5.0248 8.3327 109.6340 60.7067 69.3497 173.5856 104 D 5.0864 7.6805 120.6639 51.9993 44.3386 175.6531 105 W 4.7883 9.0324 121.0208 58.3184 29.7495 175.6454 106 T 4.9578 9.6145 121.2626 61.9609 71.8969 172.2347 107 Y 4.5944 8.2887 126.9557 55.8521 40.1411 174.6773 108 K 4.5537 8.1829 125.0249 54.7287 36.7092 175.0625 109 Q 5.1006 8.0289 118.4870 55.1266 31.5844 173.0692 110 L 4.9336 9.1793 120.5745 54.3573 44.8335 174.3048 111 L 5.4192 8.5266 120.4744 53.3978 44.7984 175.1594 112 F 5.1170 8.9162 119.0568 55.9160 41.8719 172.9707 113 T 5.1933 8.5176 116.6172 61.7970 70.5566 174.3900 114 T 4.4702 8.9503 117.7575 60.9212 70.0193 172.5282 115 P 4.5672 0.0000 0.0000 62.3178 32.6622 176.7397 116 D 4.3942 8.5431 118.6469 55.6831 39.5879 176.9937 117 V 4.3404 7.0790 117.5116 60.8252 34.5695 173.8769 118 F 4.7129 8.7528 125.4879 56.3809 40.0833 176.3010 119 G 3.9265 9.2273 114.4963 47.4831 0.0000 173.2663 120 S 4.7629 7.7856 112.2725 57.1594 66.3733 173.9694 121 T 4.0093 8.4040 117.5380 62.5998 68.8689 173.2511 122 P 4.7614 0.0000 0.0000 63.0765 32.8480 174.9334 123 Q 5.0210 9.2382 124.2399 54.2362 32.5376 173.6600 124 L 5.0436 9.2491 128.8862 54.1101 43.5822 174.8883 125 A 5.4405 9.3009 128.6475 50.2435 22.5586 175.1116 126 L 5.0427 9.5121 121.2741 52.9112 44.3189 175.6809 127 W 5.1575 9.3022 135.0000 55.6134 33.2216 174.1452 128 K 4.6134 8.7882 131.8707 55.3055 30.0455 176.9457 129 G 3.5572 8.0621 111.3169 47.6019 0.0000 170.7484 130 D 4.6065 7.7421 120.7281 54.9203 41.6909 176.2831 131 T 4.6927 8.2776 113.5511 61.5277 70.1444 174.0017 132 S 4.5353 8.1647 118.2342 57.9006 64.9791 174.7568 133 K 4.0316 8.6385 117.4972 57.9260 31.7753 177.5499 134 A 4.1927 7.7191 122.4950 52.3502 19.2460 176.7327 135 N 4.6513 9.3135 120.5677 52.5675 40.6269 173.8821 136 L 3.9844 8.3195 124.2457 53.2093 44.4901 174.4741 137 Y 5.3711 8.0896 124.2590 56.2799 40.4301 175.1797 138 V 5.0941 8.4033 122.2459 60.5529 35.3323 173.5974 139 D 5.0092 9.6457 120.6753 53.4760 44.9726 173.8716 140 D 4.5528 8.4607 119.5122 55.3581 38.0108 173.3522 141 V 4.5434 7.9907 118.2189 62.5439 33.2934 175.6511 142 Y 5.0861 9.6241 124.5202 56.2449 42.0017 174.5667 143 L 5.3080 9.3999 125.4532 53.6998 45.3432 175.1059 144 V 5.0198 8.9538 126.1792 59.7359 34.8460 174.4947 145 E 3.9352 9.0020 125.4380 55.8427 30.4008 176.8164 146 V 3.9595 7.8682 119.1848 61.5303 32.1146 175.4356 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 H 8.44 4.70 0.00 3.12 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 M 7.99 4.35 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 4 V 7.63 4.32 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 0.88 0.00 0.00 0.95 0.00 0.00 5 N 8.67 4.88 0.00 2.83 2.74 0.00 0.00 7.18 7.65 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 6 M 9.11 4.19 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.90 0.00 7 V 7.79 3.76 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 0.86 0.00 0.00 1.04 0.00 0.00 8 S 8.21 4.12 0.00 3.58 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.62 4.11 0.00 2.87 2.83 0.00 0.00 6.92 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 10 P 0.00 4.43 0.00 2.16 2.21 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 11 G 7.79 4.14 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 0.00 0.00 0.00 12 F 7.41 4.18 0.00 3.25 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 13 E 7.78 4.17 0.00 2.02 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 2.33 2.40 0.00 14 D 8.50 4.98 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 15 G 7.39 3.83 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 0.00 0.00 0.00 16 L 8.48 4.68 0.00 1.81 1.83 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.62 4.56 0.00 2.76 2.67 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 18 S 8.91 3.99 0.00 3.69 3.70 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 19 W 7.92 4.94 0.00 3.37 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 20 Q 9.40 4.22 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 21 D 8.63 4.72 0.00 2.67 2.62 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 22 W 8.65 4.76 0.00 3.74 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 23 Q 8.15 4.62 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 24 Q 8.42 3.64 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.44 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 25 D 8.36 4.91 0.00 2.84 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 26 M 8.18 5.20 0.00 1.78 2.17 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 27 S 8.65 4.64 0.00 3.81 3.85 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 28 A 8.46 4.99 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 29 V 8.52 4.40 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 0.62 0.00 0.00 0.77 0.00 0.00 30 P 0.00 4.71 0.00 2.11 2.05 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 2.07 1.99 0.00 31 E 8.05 3.79 0.00 1.98 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 2.10 1.98 0.00 32 A 7.38 3.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.65 4.39 1.21 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 0.00 0.00 34 H 8.97 3.52 0.00 1.40 2.54 0.00 5.89 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.07 4.69 0.00 2.89 2.50 0.00 0.00 7.14 7.53 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 36 G 8.19 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 0.00 0.00 0.00 37 A 8.81 4.24 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 38 L 8.09 5.22 0.00 1.68 1.52 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.54 4.72 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 40 L 7.99 4.27 0.00 0.27 0.50 0.50 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.88 4.88 0.00 1.72 1.53 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.44 7.81 42 I 8.42 4.56 1.59 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 0.93 0.15 0.89 0.00 0.00 43 G 8.09 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 44 G 7.89 4.01 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 45 G 10.17 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 0.00 0.00 0.00 0.00 46 K 7.23 4.66 0.00 1.74 1.74 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.42 7.81 47 A 8.54 4.18 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 48 A 7.38 4.55 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 49 G 8.97 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 0.00 0.00 0.00 50 G 7.00 3.45 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 0.00 51 G 7.24 4.41 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 52 Q 8.62 4.88 0.00 1.64 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.96 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 53 D 8.75 5.03 0.00 2.60 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 54 I 8.79 4.39 1.80 0.00 0.00 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 1.12 0.69 0.82 0.00 0.00 55 P 0.00 4.03 0.00 1.95 1.87 0.00 3.54 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 1.96 2.02 0.00 56 L 7.47 4.77 0.00 1.34 1.40 0.81 0.41 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 57 K 8.76 4.37 0.00 1.89 1.83 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.54 7.81 58 P 0.00 4.51 0.00 2.19 2.09 0.00 4.03 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 59 N 8.53 4.32 0.00 2.84 2.90 0.00 0.00 6.74 8.26 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 60 T 8.20 4.61 4.46 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 0.71 0.00 0.00 61 T 8.15 4.63 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 1.16 0.00 0.00 62 Y 8.61 5.00 0.00 1.58 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 63 I 8.63 4.86 1.91 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 1.14 1.09 1.07 0.00 0.00 64 L 9.14 5.31 0.00 2.11 1.75 1.14 1.13 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 65 G 9.36 4.71 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 0.00 0.00 0.00 66 A 8.35 5.48 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.98 5.58 0.00 3.59 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 68 A 9.31 5.32 0.40 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 69 K 8.19 4.66 0.00 1.40 1.34 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.59 7.81 70 F 9.03 4.57 0.00 2.94 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 71 D 8.39 4.51 0.00 2.46 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 0.00 0.00 0.00 0.00 72 S 7.49 4.41 0.00 3.74 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 73 K 8.47 3.78 0.00 1.69 1.64 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.36 7.81 74 P 0.00 4.19 0.00 1.65 0.49 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.87 0.00 75 A 8.55 4.26 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 76 G 8.57 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 77 T 8.28 5.05 4.48 0.00 0.00 0.00 0.00 0.00 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 78 F 9.86 5.36 0.00 2.91 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 79 D 8.61 5.42 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.60 4.82 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 0.73 0.00 0.00 1.08 0.00 0.00 81 V 8.75 4.88 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 1.01 0.00 0.00 0.96 0.00 0.00 82 V 8.49 4.91 1.67 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 0.97 0.00 0.00 1.03 0.00 0.00 83 Q 9.12 4.85 0.00 1.40 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.45 0.00 0.00 0.00 0.00 0.00 2.42 2.18 0.00 84 Y 6.94 5.11 0.00 3.24 3.11 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 85 H 9.44 5.24 0.00 3.25 3.39 0.00 5.61 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 86 L 9.18 4.58 0.00 1.64 1.65 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.56 4.91 0.00 1.78 1.75 0.00 1.68 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.50 7.81 88 D 8.83 4.59 0.00 2.88 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 89 A 8.88 4.05 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 0.00 0.00 0.00 0.00 0.00 90 N 8.06 4.87 0.00 2.91 2.99 0.00 0.00 6.43 6.96 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 91 N 7.98 4.65 0.00 2.92 2.99 0.00 0.00 6.94 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 92 T 8.21 4.08 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 1.21 0.00 0.00 93 Y 8.60 4.79 0.00 2.73 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 94 V 7.92 4.25 1.69 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 0.64 0.00 0.00 0.12 0.00 0.00 95 Q 7.98 4.38 0.00 1.63 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.85 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 96 H 8.80 4.65 0.00 2.67 3.07 0.00 5.55 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.21 4.93 1.82 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 1.27 0.55 0.94 0.00 0.00 98 L 9.17 4.47 0.00 1.60 1.33 1.04 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.51 5.50 0.00 2.53 2.74 0.00 0.00 6.91 7.45 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 0.00 100 F 9.66 5.19 0.00 3.25 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 0.00 101 N 9.08 5.32 0.00 2.61 2.88 0.00 0.00 7.02 7.80 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 0.00 102 E 8.66 4.39 0.00 2.30 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 2.50 2.44 0.00 103 T 8.33 5.02 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 1.26 0.00 0.00 104 D 7.68 5.09 0.00 2.66 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 0.00 105 W 9.03 4.79 0.00 3.36 3.38 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 0.00 106 T 9.61 4.96 4.65 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 1.33 0.00 0.00 107 Y 8.29 4.59 0.00 1.43 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 0.00 0.00 0.00 108 K 8.18 4.55 0.00 1.19 1.22 0.00 0.74 0.00 0.00 1.28 0.00 0.00 2.69 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.06 0.88 7.81 109 Q 8.03 5.10 0.00 2.09 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 110 L 9.18 4.93 0.00 1.76 1.77 1.15 0.41 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 0.00 111 L 8.53 5.42 0.00 1.65 1.59 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.92 5.12 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 0.00 113 T 8.52 5.19 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 1.22 0.00 0.00 114 T 8.95 4.47 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 1.69 0.00 0.00 115 P 0.00 4.57 0.00 2.07 2.22 0.00 3.20 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 116 D 8.54 4.39 0.00 2.76 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 0.00 117 V 7.08 4.34 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 0.88 0.00 0.00 0.91 0.00 0.00 118 F 8.75 4.71 0.00 3.07 3.13 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 0.00 119 G 9.23 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 0.00 0.00 0.00 120 S 7.79 4.76 0.00 3.95 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 0.00 121 T 8.40 4.01 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 1.13 0.00 0.00 122 P 0.00 4.76 0.00 2.17 2.00 0.00 3.16 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 123 Q 9.24 5.02 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 124 L 9.25 5.04 0.00 1.78 1.78 1.16 0.95 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 0.00 125 A 9.30 5.44 1.62 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 0.00 126 L 9.51 5.04 0.00 1.64 1.97 0.58 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 127 W 9.30 5.16 0.00 3.52 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 0.00 128 K 8.79 4.61 0.00 1.86 1.67 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.35 7.81 129 G 8.06 3.56 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 0.00 0.00 0.00 130 D 7.74 4.61 0.00 2.61 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 0.00 131 T 8.28 4.69 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 1.25 0.00 0.00 132 S 8.16 4.54 0.00 3.83 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 0.00 133 K 8.64 4.03 0.00 1.73 1.87 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.40 7.81 134 A 7.72 4.19 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 0.00 135 N 9.31 4.65 0.00 2.72 2.60 0.00 0.00 6.10 7.12 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 0.00 136 L 8.32 3.98 0.00 0.88 0.92 -0.61 -0.74 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 0.00 137 Y 8.09 5.37 0.00 2.27 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 0.00 138 V 8.40 5.09 1.55 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 0.23 0.00 0.00 1.11 0.00 0.00 139 D 9.65 5.01 0.00 2.79 2.37 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 0.00 140 D 8.46 4.55 0.00 3.23 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 0.00 141 V 7.99 4.54 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 1.01 0.00 0.00 1.13 0.00 0.00 142 Y 9.62 5.09 0.00 3.05 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 0.00 143 L 9.40 5.31 0.00 1.87 1.57 1.22 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.95 5.02 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 0.70 0.00 0.00 0.87 0.00 0.00 145 E 9.00 3.94 0.00 1.71 1.79 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 2.04 1.81 0.00 146 V 7.87 3.96 2.04 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 0.74 0.00 0.00 0.90 0.00 0.00