NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8145 8.0549 120.2885 61.4690 32.6459 174.7339 2 Q 4.3285 8.0640 122.1824 53.5106 30.8374 173.3795 3 W 4.9771 8.1310 119.3632 54.4760 33.1179 176.3401 4 S 4.4979 9.6937 118.8881 57.5746 64.8612 175.1698 5 A 4.0217 8.5136 124.0345 55.4961 18.0175 179.9092 6 E 3.9341 8.1120 116.4122 59.5350 29.5936 179.2125 7 E 3.9941 8.7196 118.9045 59.5010 29.6454 179.5035 8 K 3.7167 8.0991 118.4170 59.4375 32.0930 179.1200 9 Q 3.9644 8.1822 119.6437 59.2771 28.9568 178.4161 10 L 4.0769 8.1279 120.0766 57.7396 41.5512 179.6024 11 I 3.5911 7.8895 120.0999 64.4608 36.9172 178.7258 12 S 4.3534 8.2112 115.2324 61.2906 62.5760 176.6565 13 G 3.6711 8.0959 108.5952 47.5730 0.0000 175.1985 14 L 3.8673 7.9348 122.9452 57.2943 42.1479 178.4606 15 W 4.6094 8.9174 128.8078 60.9016 30.4344 178.0816 16 G 3.7455 7.8850 103.8910 47.3191 0.0000 174.7250 17 K 4.3813 7.7548 118.0659 55.6785 32.8603 177.1580 18 V 3.5358 7.0293 120.5994 62.5396 31.8844 175.3249 19 N 4.4415 8.3401 126.0296 52.3698 38.1229 175.3989 20 V 3.4331 8.1587 125.9754 65.7486 32.4001 178.0562 21 A 3.9767 8.1020 121.1173 55.3482 18.2488 179.2655 22 D 4.2257 7.8677 116.6304 57.7719 41.1012 178.6132 23 C 4.0323 8.2681 117.6733 62.5975 28.0499 176.1655 24 G 3.7418 8.2236 107.0919 48.0277 0.0000 175.3237 25 A 3.9995 8.0498 123.7741 54.7019 18.3372 179.5874 26 E 3.8710 8.2550 116.7008 59.4596 29.5277 179.5432 27 A 3.9605 8.1375 120.8742 54.9468 18.5216 179.4617 28 L 3.8532 7.9547 118.6783 58.1361 42.2103 178.7842 29 A 3.9503 8.2826 121.1096 55.5544 18.3216 179.7478 30 R 3.8224 8.2781 116.6849 59.2062 30.0720 178.9999 31 L 4.0156 7.9274 120.0586 58.3964 42.2709 179.2127 32 L 4.0132 7.7688 118.2379 57.4177 41.2279 179.6042 33 I 3.7478 7.3277 119.0411 64.1875 37.4644 178.2317 34 V 3.5354 7.7600 117.9584 64.3794 32.8027 175.6955 35 Y 3.9448 7.1436 116.4124 54.8268 37.5723 174.3705 36 P 4.9754 0.0000 0.0000 63.7377 31.8123 177.7109 37 W 4.3885 8.0483 115.9121 59.2978 27.6596 177.8593 38 T 4.4719 7.5686 110.3329 64.0846 68.1231 176.3904 39 Q 4.2337 8.2390 121.6990 58.8355 28.4200 178.0896 40 R 3.7731 7.5958 119.0758 59.5425 30.0645 177.9062 41 F 4.2868 7.4881 113.9412 58.3809 39.0888 175.7984 42 F 4.4585 8.0063 118.2561 56.7775 39.7208 177.4578 43 A 4.0456 8.1517 126.9438 55.1823 18.3783 180.8887 44 S 4.3265 8.0947 109.3719 61.2227 62.9787 175.4692 45 F 4.6764 8.3751 118.9926 58.6898 40.2863 175.4281 46 G 3.9854 7.9106 106.0835 44.1716 0.0000 176.4338 47 N 4.7260 8.9207 128.0082 52.3156 37.0458 173.5009 48 L 4.9019 8.2725 126.8170 54.5387 42.9333 178.7365 49 S 4.1853 8.5040 114.9542 60.1306 63.6056 174.2256 50 S 4.6384 7.4900 114.8916 55.3921 67.1317 173.1127 51 P 4.2074 0.0000 0.0000 66.1084 30.9719 178.8095 52 T 3.8127 7.9713 113.5837 66.7363 68.4097 176.0721 53 A 3.9883 7.7400 122.0370 55.3118 18.2031 179.5932 54 I 3.6419 7.9013 117.2600 64.7700 37.3174 178.5248 55 L 4.2102 8.4545 118.6210 57.2545 41.4924 179.0824 56 G 3.9118 8.1375 104.2570 44.5744 0.0000 173.3747 57 N 4.4514 7.6450 121.6843 52.7032 39.2917 173.9181 58 P 4.2889 0.0000 0.0000 65.9942 31.4691 178.4496 59 M 3.6961 7.7281 118.3334 57.7254 31.8421 178.4026 60 V 3.5914 7.4942 117.9470 66.1222 31.8280 178.0458 61 R 3.8551 7.8949 117.3079 59.3289 29.8146 179.0314 62 A 3.9758 8.1446 120.7224 55.2684 18.2894 179.1271 63 H 4.2650 8.6689 117.3891 59.2726 30.0018 177.3330 64 G 3.8919 8.4012 108.1182 48.0386 0.0000 175.2528 65 K 3.9563 7.9055 121.8238 59.1175 32.1862 178.9542 66 K 4.0036 7.8758 118.7539 59.3769 31.9654 179.3525 67 V 3.6398 8.0330 118.8220 66.2026 31.4769 177.9281 68 L 4.4842 8.1591 119.8644 58.4636 41.7178 178.7885 69 T 4.1944 8.2240 115.4340 66.7118 68.6487 176.1566 70 S 4.3467 8.2129 114.9443 61.5867 62.5331 176.0112 71 F 4.2871 8.3988 120.6731 60.8432 38.5942 178.0115 72 G 2.7031 8.2146 104.8970 47.1921 0.0000 175.5331 73 D 4.2302 8.0206 121.1428 56.9726 40.4413 178.6360 74 A 3.9850 7.8440 120.8804 55.1528 18.3501 179.2469 75 V 3.1553 6.9633 115.2936 66.4016 31.4675 178.2767 76 K 4.1162 7.7579 116.2415 57.9896 33.4591 177.0400 77 N 4.8658 7.7166 116.5447 51.2773 38.8007 174.0871 78 L 3.9031 7.6141 122.2552 57.1213 42.7618 177.7174 79 D 4.6617 7.9531 116.4969 55.9441 41.3597 176.1208 80 N 4.9736 7.7791 117.8874 53.4517 39.6795 176.9717 81 I 3.8495 8.0349 119.4250 63.7728 37.0148 177.2632 82 K 3.8857 8.1967 118.7323 60.0814 32.0662 177.9348 83 N 4.4993 8.1358 115.8061 56.5539 38.3412 177.2295 84 T 3.7201 7.6710 116.2852 66.0733 68.7535 175.4534 85 F 4.4049 7.8527 116.2140 56.9565 39.3927 177.5260 86 A 3.9748 7.6308 122.8590 55.4303 18.2622 180.0885 87 Q 4.0879 7.9609 115.9620 59.2364 28.7728 178.9865 88 L 4.0581 7.8435 119.4424 57.6750 41.5920 179.3708 89 S 4.2574 8.3245 114.9118 60.9107 62.2859 175.9618 90 E 4.0064 8.0371 121.1365 59.3998 29.2040 178.9312 91 L 3.8917 7.9108 120.1386 58.8050 42.2237 178.9048 92 H 4.3462 8.6947 116.1651 59.0883 28.1111 176.7086 93 C 4.0259 8.3753 120.4279 61.0683 27.8978 175.7169 94 D 4.2950 8.3730 122.3346 56.7944 41.0648 177.8329 95 K 4.1574 7.9202 118.1417 57.9676 32.9445 177.1180 96 L 4.2264 8.1729 116.9285 54.8320 42.4336 176.1731 97 H 4.2683 7.4254 113.5422 56.7044 26.3945 175.4625 98 V 3.7675 8.3350 119.1600 61.5671 32.2999 174.9724 99 D 4.1376 8.7196 127.1323 53.8037 41.8016 175.2328 100 P 2.9700 0.0000 0.0000 64.6445 31.1780 178.0698 101 E 3.9094 8.5731 119.0455 59.4443 29.3699 178.5877 102 N 4.4798 8.2555 116.4648 55.9372 38.5641 177.3060 103 F 4.5169 7.7077 119.1592 60.7238 38.9280 177.5710 104 R 3.9977 8.1048 117.6993 59.5346 29.9458 178.3799 105 L 3.9717 7.8161 118.3920 57.5890 41.4504 179.2857 106 L 4.1717 8.2112 120.5164 58.0548 42.0654 179.1616 107 G 3.7332 8.2132 105.5962 48.0867 0.0000 174.9942 108 D 4.5134 8.4208 122.1362 57.3990 40.8249 179.3965 109 I 3.7801 8.0019 119.9720 64.2253 37.1201 178.2871 110 L 3.8494 8.2763 121.5172 58.1185 41.8639 178.8169 111 I 3.6993 7.9123 119.8388 64.7388 37.1378 178.3915 112 I 3.6343 7.6583 120.0389 64.3402 36.8817 178.7284 113 V 3.5237 7.8761 119.2948 65.8309 31.3163 178.1384 114 L 3.7631 8.1677 118.9610 57.4737 41.2851 179.1678 115 A 3.5071 7.3866 120.5211 55.0658 18.0366 179.6200 116 A 3.8724 7.5465 117.9938 55.5282 18.5417 179.3378 117 H 3.9653 8.0018 113.8620 57.7988 28.9305 176.9476 118 F 4.5924 8.1250 118.0500 55.3961 40.5353 177.3232 119 T 3.4278 8.6324 108.9447 62.6258 69.7781 176.6282 120 K 4.1301 8.8802 118.4275 58.6446 31.9670 177.4303 121 E 4.0723 7.9539 118.9530 58.4926 30.0330 177.1820 122 F 4.4581 7.9989 123.1301 57.0031 37.8457 174.9013 123 T 4.1444 7.3209 115.7983 60.5269 71.2100 173.3443 124 P 4.2178 0.0000 0.0000 65.9630 31.3480 178.8274 125 E 3.9512 8.0445 116.7761 59.3224 29.3439 178.8238 126 C 4.0505 7.6842 118.2794 62.3888 31.5887 175.1229 127 Q 3.6336 7.7635 121.3024 59.2481 28.6219 178.3417 128 A 3.9658 8.0955 121.2917 55.2842 18.4105 179.5284 129 A 4.0465 8.0084 118.9833 55.1113 18.4526 179.9517 130 W 3.9114 8.5053 117.7417 59.6405 29.1769 178.6699 131 Q 4.1368 9.1078 120.2303 58.9373 28.4022 178.2008 132 K 3.9105 8.1161 120.6235 59.4197 32.2124 178.4339 133 L 4.2260 8.1521 120.5667 58.5674 41.9473 179.4688 134 V 3.9252 8.0430 112.2884 64.2425 31.4205 178.6081 135 R 3.9623 8.1447 118.7247 59.6363 30.0050 179.0904 136 V 3.6967 8.2382 112.5954 64.1806 31.4926 178.7686 137 V 3.0970 8.2292 118.3201 65.8535 31.1213 178.0060 138 A 3.9286 8.1601 119.6149 55.2729 18.3461 178.8558 139 H 4.3119 8.2586 116.7611 59.3742 29.8707 177.3522 140 A 4.0259 8.0802 122.6527 55.0353 18.3444 179.0320 141 L 3.9632 7.9128 117.6302 56.6698 42.1398 177.6634 142 A 5.1147 7.5844 119.3780 52.3994 19.2822 178.6817 143 R 3.9674 7.7761 119.7029 59.5468 30.2672 178.8950 144 K 4.2092 8.0755 115.1723 58.0650 31.8610 177.3499 145 Y 4.4207 7.9607 116.7774 59.2534 38.3833 175.4468 146 H 4.5611 8.0383 122.0967 55.9080 29.6648 173.0832 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 V 8.05 3.81 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 0.84 0.00 0.00 0.15 0.00 0.00 2 Q 8.06 4.33 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 3 W 8.13 4.98 0.00 3.21 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 4 S 9.69 4.50 0.00 4.24 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 5 A 8.51 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.11 3.93 0.00 2.09 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 2.41 2.47 0.00 7 E 8.72 3.99 0.00 2.35 2.30 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 2.43 2.42 0.00 8 K 8.10 3.72 0.00 1.94 1.79 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.62 7.81 9 Q 8.18 3.96 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 10 L 8.13 4.08 0.00 1.98 1.77 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.89 3.59 1.49 0.00 0.00 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 0.27 0.01 0.29 0.00 0.00 12 S 8.21 4.35 0.00 4.11 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 13 G 8.10 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.93 3.87 0.00 2.05 1.91 -0.15 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.92 4.61 0.00 3.90 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 16 G 7.89 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 0.00 0.00 0.00 17 K 7.75 4.38 0.00 2.17 2.18 0.00 1.95 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.50 7.81 18 V 7.03 3.54 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 0.32 0.00 0.00 0.93 0.00 0.00 19 N 8.34 4.44 0.00 2.72 2.60 0.00 0.00 6.85 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 20 V 8.16 3.43 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 1.06 0.00 0.00 0.69 0.00 0.00 21 A 8.10 3.98 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 22 D 7.87 4.23 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.27 4.03 0.00 2.88 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 24 G 8.22 3.74 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 0.00 0.00 0.00 25 A 8.05 4.00 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 26 E 8.26 3.87 0.00 2.28 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 2.30 2.30 0.00 27 A 8.14 3.96 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 28 L 7.95 3.85 0.00 1.80 1.66 0.78 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.28 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.28 3.82 0.00 1.88 1.95 0.00 3.10 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 31 L 7.93 4.02 0.00 1.93 1.90 1.08 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.77 4.01 0.00 1.87 1.70 0.86 0.96 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 33 I 7.33 3.75 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.85 0.00 0.00 34 V 7.76 3.54 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.73 0.00 0.00 35 Y 7.14 3.94 0.00 2.62 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 36 P 0.00 4.98 0.00 2.25 2.23 0.00 4.00 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 2.20 1.99 0.00 37 W 8.05 4.39 0.00 3.60 3.54 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 38 T 7.57 4.47 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 1.04 0.00 0.00 39 Q 8.24 4.23 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 40 R 7.60 3.77 0.00 1.68 1.41 0.00 3.14 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.54 0.00 41 F 7.49 4.29 0.00 2.43 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.01 4.46 0.00 2.92 2.47 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 43 A 8.15 4.05 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 44 S 8.09 4.33 0.00 4.15 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.38 4.68 0.00 3.25 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 46 G 7.91 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 47 N 8.92 4.73 0.00 2.72 2.79 0.00 0.00 6.62 7.78 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 48 L 8.27 4.90 0.00 1.75 1.63 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.50 4.19 0.00 4.01 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 50 S 7.49 4.64 0.00 4.07 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 51 P 0.00 4.21 0.00 2.16 2.12 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 52 T 7.97 3.81 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 53 A 7.74 3.99 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 54 I 7.90 3.64 2.00 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 1.54 0.67 0.90 0.00 0.00 55 L 8.45 4.21 0.00 1.80 1.71 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.14 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 57 N 7.64 4.45 0.00 2.98 2.82 0.00 0.00 6.79 7.78 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 58 P 0.00 4.29 0.00 2.23 2.25 0.00 3.71 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 2.02 0.00 59 M 7.73 3.70 0.00 0.95 1.73 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 60 V 7.49 3.59 2.23 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 1.14 0.00 0.00 1.06 0.00 0.00 61 R 7.89 3.86 0.00 2.01 1.93 0.00 3.15 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 62 A 8.14 3.98 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 63 H 8.67 4.26 0.00 3.41 3.53 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.40 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.91 3.96 0.00 1.88 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 66 K 7.88 4.00 0.00 1.97 1.89 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.63 7.81 67 V 8.03 3.64 2.31 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 1.24 0.00 0.00 0.94 0.00 0.00 68 L 8.16 4.48 0.00 2.00 1.83 1.17 0.97 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 69 T 8.22 4.19 4.49 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 0.00 0.00 0.00 1.30 0.00 0.00 70 S 8.21 4.35 0.00 4.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.40 4.29 0.00 3.45 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 72 G 8.21 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 0.00 0.00 0.00 73 D 8.02 4.23 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.84 3.99 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 75 V 6.96 3.16 1.39 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 0.44 0.00 0.00 0.47 0.00 0.00 76 K 7.76 4.12 0.00 1.78 1.79 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 77 N 7.72 4.87 0.00 2.60 2.56 0.00 0.00 6.71 6.74 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 78 L 7.61 3.90 0.00 1.22 1.23 0.23 -0.01 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 79 D 7.95 4.66 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 80 N 7.78 4.97 0.00 2.87 2.77 0.00 0.00 7.03 7.83 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 81 I 8.03 3.85 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.02 0.93 0.00 0.00 82 K 8.20 3.89 0.00 1.80 1.91 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 83 N 8.14 4.50 0.00 2.90 2.83 0.00 0.00 7.02 7.05 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 84 T 7.67 3.72 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 0.62 0.00 0.00 85 F 7.85 4.40 0.00 3.16 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 86 A 7.63 3.97 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 87 Q 7.96 4.09 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 88 L 7.84 4.06 0.00 1.92 1.73 0.83 0.85 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 89 S 8.32 4.26 0.00 4.06 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 90 E 8.04 4.01 0.00 2.05 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 0.00 2.39 2.44 0.00 91 L 7.91 3.89 0.00 1.75 1.85 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.69 4.35 0.00 3.39 3.64 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.38 4.03 0.00 2.67 1.82 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 94 D 8.37 4.30 0.00 2.79 2.68 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 95 K 7.92 4.16 0.00 1.65 1.96 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.41 7.81 96 L 8.17 4.23 0.00 1.72 1.65 0.69 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.43 4.27 0.00 3.50 3.48 0.00 5.65 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.34 3.77 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 0.52 0.00 0.00 0.35 0.00 0.00 99 D 8.72 4.14 0.00 2.73 2.48 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 0.00 100 P 0.00 2.97 0.00 2.00 1.94 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 101 E 8.57 3.91 0.00 2.02 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 2.27 2.40 0.00 102 N 8.26 4.48 0.00 2.85 2.94 0.00 0.00 6.94 7.75 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 0.00 103 F 7.71 4.52 0.00 3.19 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 0.00 104 R 8.10 4.00 0.00 1.91 2.16 0.00 3.56 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 105 L 7.82 3.97 0.00 1.75 1.36 0.44 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.21 4.17 0.00 1.95 2.01 1.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.21 3.73 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 0.00 108 D 8.42 4.51 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.00 3.78 2.10 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 1.94 1.06 0.95 0.00 0.00 110 L 8.28 3.85 0.00 1.63 1.72 0.80 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.91 3.70 2.10 0.00 0.00 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 1.88 1.12 1.17 0.00 0.00 112 I 7.66 3.63 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 0.88 0.00 0.00 113 V 7.88 3.52 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 0.84 0.00 0.00 0.91 0.00 0.00 114 L 8.17 3.76 0.00 1.09 1.06 0.23 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.39 3.51 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 0.00 116 A 7.55 3.87 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 0.00 117 H 8.00 3.97 0.00 3.02 2.69 0.00 5.82 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.12 4.59 0.00 3.22 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 0.00 119 T 8.63 3.43 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 1.22 0.00 0.00 120 K 8.88 4.13 0.00 1.81 1.96 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.46 7.81 121 E 7.95 4.07 0.00 2.06 2.26 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 2.35 2.31 0.00 122 F 8.00 4.46 0.00 3.08 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 0.00 123 T 7.32 4.14 4.33 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 1.27 0.00 0.00 124 P 0.00 4.22 0.00 2.17 2.15 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 E 8.04 3.95 0.00 2.03 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 2.39 2.42 0.00 126 C 7.68 4.05 0.00 2.86 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 0.00 127 Q 7.76 3.63 0.00 1.92 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 128 A 8.10 3.97 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 0.00 129 A 8.01 4.05 1.39 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 0.00 0.00 130 W 8.51 3.91 0.00 3.68 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 9.11 4.14 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 132 K 8.12 3.91 0.00 1.98 2.11 0.00 1.47 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.16 1.23 7.81 133 L 8.15 4.23 0.00 1.66 1.70 0.66 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.04 3.93 2.27 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 0.80 0.00 0.00 1.13 0.00 0.00 135 R 8.14 3.96 0.00 2.04 2.20 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 136 V 8.24 3.70 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 0.87 0.00 0.00 1.19 0.00 0.00 137 V 8.23 3.10 2.16 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 -0.11 0.00 0.00 0.78 0.00 0.00 138 A 8.16 3.93 1.50 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 0.00 0.00 139 H 8.26 4.31 0.00 3.36 3.46 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.08 4.03 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 0.00 141 L 7.91 3.96 0.00 1.51 1.25 0.67 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.58 5.11 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 0.00 143 R 7.78 3.97 0.00 2.06 2.02 0.00 3.17 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 144 K 8.08 4.21 0.00 1.60 1.69 0.00 1.56 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.41 7.81 145 Y 7.96 4.42 0.00 3.13 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 0.00 146 H 8.04 4.56 0.00 3.16 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00