NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4964 8.3049 120.3210 54.6892 34.6300 174.6774 2 T 4.6037 8.1026 113.9793 61.2215 73.7901 170.7575 3 D 5.1021 9.3009 124.4828 52.9775 45.1677 174.0275 4 V 4.9776 8.5391 118.9328 59.5269 35.4088 174.7625 5 L 4.4869 8.7047 124.7889 53.4526 44.6669 175.3109 6 L 4.7024 8.7152 131.1738 53.6101 42.3543 175.0870 7 C 4.6420 8.8099 124.4829 59.6007 29.4794 173.0552 8 V 4.6271 9.3720 121.6681 60.8945 35.0350 174.9565 9 G 4.4117 7.8159 113.1214 43.7566 0.0000 170.8554 10 N 5.0593 8.7077 118.2928 51.4479 40.7564 175.2953 11 S 4.3188 8.9870 122.2627 60.9407 63.3354 174.7478 12 M 4.7965 8.8047 116.4462 55.0375 31.8358 175.5462 13 M 4.6254 7.8320 117.9665 55.0274 33.4588 176.4853 14 G 4.1036 8.0619 104.5740 44.0838 0.0000 175.7966 15 D 4.4194 8.6455 120.5964 56.8548 41.2717 177.2080 16 D 4.4383 8.3120 118.7393 57.3154 41.3776 178.2081 17 G 3.9551 8.1465 103.8304 44.8518 0.0000 175.5433 18 A 4.0556 8.1700 124.9708 54.7919 18.4631 180.6713 19 G 3.6040 7.8907 104.8759 47.0835 0.0000 173.5941 20 P 4.2709 0.0000 0.0000 65.2176 31.2952 178.4510 21 L 3.9187 8.0147 118.8935 57.7853 41.9226 178.6907 22 L 3.8134 7.8807 120.1714 58.0964 41.9865 178.7449 23 A 3.9294 8.3880 121.0314 55.0617 18.2171 179.1638 24 E 3.8103 8.1727 117.6423 59.3621 29.7330 179.2313 25 K 3.6625 7.7541 118.3383 59.6627 31.8119 179.2123 26 C 4.4918 8.1978 115.7375 62.8135 28.0948 175.7266 27 A 4.1346 8.2234 121.7203 55.1503 18.0394 179.2921 28 A 4.3399 8.0975 118.2902 54.2110 19.0409 177.7307 29 A 4.4281 7.8267 119.6755 50.5222 20.2535 174.1172 30 P 4.6254 0.0000 0.0000 63.5222 32.3603 176.0918 31 K 4.6267 8.4025 117.3727 55.6281 36.0291 176.5739 32 G 3.9893 9.7416 106.6350 46.6684 0.0000 172.8609 33 N 4.1095 8.2240 115.1463 53.4706 37.5647 173.7932 34 W 4.3413 8.0009 116.1204 56.4035 29.9703 177.7736 35 V 4.0967 9.0351 126.3742 61.8666 30.1507 174.6691 36 V 4.3204 8.1111 125.1533 61.5709 32.2854 175.8064 37 I 4.7057 8.9606 123.6471 59.6320 41.8746 173.8438 38 D 5.0246 8.6282 124.4964 52.3538 42.7594 175.8889 39 G 3.6449 9.5320 117.1327 46.2642 0.0000 172.9711 40 G 3.9886 8.9147 108.1306 46.7545 0.0000 174.2449 41 S 3.7875 8.0483 108.3807 58.5498 63.3096 172.1450 42 A 4.7894 8.0017 122.4053 50.8126 18.7767 176.2078 43 P 4.4110 0.0000 0.0000 64.5430 32.4322 179.2066 44 E 4.0069 8.3982 118.3816 59.4504 28.9822 178.5922 45 N 4.3580 7.9276 116.7873 55.4978 37.5862 175.9705 46 D 4.6759 8.1070 119.1258 54.4200 41.2604 178.2134 47 I 3.7803 7.4409 121.9442 64.5355 37.1480 178.2198 48 V 3.5583 7.7866 118.1280 65.8703 31.1890 177.7973 49 A 3.9711 7.7703 118.9572 55.1481 18.6597 179.0772 50 I 3.8006 7.9705 118.5495 64.8099 37.2248 178.8865 51 R 3.9685 8.2747 118.9435 59.3245 29.6122 178.8823 52 E 4.0119 7.9939 117.5740 59.1862 29.5268 178.7034 53 L 4.1182 7.9035 116.7758 55.1319 43.2668 177.3430 54 R 3.5519 7.6260 117.4985 55.9641 27.7242 174.2097 55 P 4.4575 0.0000 0.0000 63.3063 32.8314 179.5407 56 T 4.0020 9.0159 119.7338 66.5835 69.4681 174.5932 57 R 5.2482 7.7753 117.7673 54.8471 35.5366 173.8436 58 L 5.0536 8.9458 121.1661 53.6490 46.1241 174.4004 59 L 5.2446 8.7940 126.6221 53.2851 45.4058 175.0340 60 I 4.7718 8.1951 125.6913 59.3846 40.9997 174.7013 61 V 4.3818 7.7626 124.4276 60.4600 35.0916 173.5387 62 D 5.0687 8.2674 124.8671 53.3289 44.8346 173.8972 63 A 4.6407 8.6037 122.4928 52.5661 19.1654 177.3442 64 T 4.0218 8.6235 115.5959 62.0553 73.5152 172.9052 65 D 4.6416 8.4573 126.9604 54.5120 41.0048 175.5607 66 M 4.5220 9.4470 124.1560 54.0491 33.6374 176.4512 67 G 3.7531 8.1692 105.9234 46.4296 0.0000 174.0699 68 L 4.5074 7.1675 117.3627 52.6038 44.0646 175.7035 69 N 4.5019 8.3750 117.1650 52.7954 39.5135 172.6895 70 P 4.4046 0.0000 0.0000 64.5256 31.7574 176.8486 71 G 3.9439 8.9606 110.1906 45.4811 0.0000 173.7097 72 E 4.2434 7.9638 119.8348 56.4893 30.6858 176.0012 73 I 4.9903 8.2116 122.3077 59.8494 40.4216 175.1349 74 R 4.9730 8.6888 123.1108 54.7786 35.1087 174.5955 75 I 4.6373 8.9808 123.4085 61.5915 38.8304 175.1818 76 I 5.1569 9.0983 125.3799 59.7937 42.1037 173.8448 77 D 5.0260 8.4007 121.3289 50.8954 44.2655 174.3519 78 P 4.2297 0.0000 0.0000 66.2142 30.6989 178.1069 79 D 4.2361 8.5723 116.7956 56.2202 41.2620 176.5384 80 D 4.8062 8.4265 117.5708 54.8631 42.9673 177.4702 81 I 3.6767 7.8828 119.7520 64.5765 36.8085 177.7235 82 A 3.9755 7.4350 119.9943 54.5176 18.5079 178.4638 83 E 4.3037 7.9529 116.5638 58.8080 30.4665 177.9614 84 M 4.1599 8.2658 118.8127 58.1092 31.3905 178.8696 85 F 3.4983 8.5323 118.8007 60.1692 39.0158 176.6875 86 M 4.4943 7.6070 112.6754 55.6139 31.1678 177.6854 87 M 3.9600 7.5215 121.0567 58.8371 32.1349 177.3980 88 T 3.8452 7.5092 107.3988 62.7216 68.8004 175.4521 89 T 3.7355 8.4116 117.9665 64.3992 66.7644 171.3935 90 H 4.9410 7.6384 114.3613 56.3093 34.3988 174.0061 91 N 4.4146 7.9239 118.7238 53.0136 39.3398 174.0897 92 M 4.1306 8.5681 123.9825 55.3555 33.1148 176.0776 93 P 4.6975 0.0000 0.0000 61.7808 29.3858 176.8992 94 L 3.8259 7.9894 126.3603 57.5008 41.8837 177.7685 95 N 4.2561 8.1424 117.2956 55.9027 36.6144 176.2953 96 Y 4.1259 7.6775 119.4569 60.0758 38.1629 178.0964 97 L 3.7398 6.4850 121.9138 57.6790 42.1274 178.8372 98 I 3.6472 7.4536 119.3002 64.5043 36.8821 177.6562 99 D 4.5752 8.0517 117.2616 56.6612 41.1120 177.3455 100 Q 4.3274 7.7500 116.5268 56.9707 29.1581 176.2711 101 L 4.6577 7.4553 117.9145 55.4505 44.8525 178.6682 102 K 4.0011 8.4671 117.1671 59.3869 32.4825 177.9013 103 E 4.1946 8.0889 117.8116 58.1183 29.7198 176.7970 104 D 4.6564 7.8086 114.4578 54.7514 43.9499 175.8468 105 I 4.2752 7.4229 119.2166 60.4888 37.6468 176.3393 106 G 3.8384 8.3906 112.1391 49.0967 0.0000 173.7448 107 E 4.9007 8.0366 120.2251 54.4957 33.4150 174.0616 108 V 5.0176 8.5272 125.7111 61.2601 34.2543 174.4823 109 I 4.9573 8.8353 127.3195 59.5995 41.5686 174.1144 110 F 5.1773 8.7702 124.5511 56.3860 43.2931 173.1026 111 L 5.2840 8.6277 126.2377 53.3241 45.1096 175.4717 112 G 4.7189 9.2958 112.8976 44.5843 0.0000 172.0053 113 I 5.1237 7.9998 120.3035 58.8713 41.4655 174.4144 114 Q 4.7092 9.3266 129.1216 55.3660 29.7886 174.3351 115 P 4.9191 0.0000 0.0000 62.5388 32.4602 175.4161 116 D 4.5553 9.7174 116.1836 53.9620 43.7615 175.1426 117 I 4.3528 7.8770 118.6984 58.7387 40.2791 173.9597 118 V 4.7007 8.3525 126.4422 59.9327 34.6202 173.6049 119 G 4.2808 7.8015 118.8555 44.2465 0.0000 172.2029 120 F 4.6324 8.1281 120.8942 58.4790 39.8036 174.3735 121 Y 3.6755 8.8934 121.5591 59.3396 37.0989 169.5723 122 Y 4.7370 8.0166 115.4801 55.3034 42.2652 175.0220 123 P 4.7489 0.0000 0.0000 62.3767 33.3778 174.9394 124 M 4.4663 8.4095 120.7096 55.6014 33.0062 176.1118 125 T 4.2365 9.4377 115.9255 60.9426 70.3269 175.2392 126 Q 3.9654 8.9063 123.7513 59.2515 28.8684 177.4843 127 P 4.2460 0.0000 0.0000 65.7478 31.3414 178.3579 128 I 3.8467 7.6653 119.2324 63.6932 37.1117 178.0357 129 K 3.8893 8.0760 119.5331 59.6640 31.8598 178.7545 130 D 4.3100 8.4311 118.1395 57.1308 41.0189 178.1643 131 A 3.9782 7.9677 121.3485 55.2421 18.3847 179.7587 132 V 3.4985 8.1066 117.1898 66.0601 31.4681 177.7657 133 E 4.0726 8.5286 119.3242 59.6474 29.4873 178.9594 134 T 3.9721 8.1924 115.9326 66.6236 68.6311 176.8000 135 V 3.8615 8.1351 120.2702 66.2486 31.3754 177.1793 136 Y 4.1645 8.1696 118.2475 61.1833 38.6675 178.1010 137 Q 3.8422 8.2672 117.6934 58.7496 28.9994 178.3392 138 R 4.1354 8.3154 119.9387 59.3066 29.9345 178.4023 139 L 4.2471 7.8070 118.1717 57.4691 41.7120 177.8228 140 E 4.4745 8.2722 114.2081 57.3336 30.1090 177.4015 141 G 4.2541 8.6363 107.1875 45.5005 0.0000 173.5916 142 W 4.1790 8.7601 132.6879 58.5038 31.1568 177.4611 143 E 4.1364 9.5486 123.1197 56.9114 28.8059 173.6136 144 G 4.5673 7.7458 103.6233 46.5548 0.0000 173.6814 145 N 4.3194 7.2467 113.0574 51.3302 39.0411 175.0201 146 G 3.1084 7.7663 105.8818 45.7999 0.0000 174.8658 147 G 3.6553 7.9560 105.1724 45.4362 0.0000 174.6544 148 F 4.2623 7.2949 117.9911 56.8255 39.6413 175.2991 149 A 4.2425 8.6177 125.8590 52.2668 19.8015 175.7782 150 Q 4.9316 8.3674 120.9538 53.8903 30.7142 174.9218 151 L 4.2252 8.6466 129.3368 55.1856 42.6563 177.4470 152 A 4.5461 9.2206 132.6363 51.5748 19.4051 176.5622 153 V 3.3474 8.5392 115.8105 64.1691 30.3334 171.5968 154 E 3.8587 8.2819 114.2012 56.6177 26.9537 173.7405 155 E 4.7792 7.6616 112.0477 55.1436 33.2760 174.8245 156 E 4.1777 8.3997 118.5413 56.6644 29.7166 174.4187 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 M 8.30 4.50 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 2 T 8.10 4.60 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 3 D 9.30 5.10 0.00 2.50 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 0.00 0.00 0.00 4 V 8.54 4.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.00 0.00 0.00 5 L 8.70 4.49 0.00 1.36 1.42 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.72 4.70 0.00 1.70 1.42 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.81 4.64 0.00 2.97 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 8 V 9.37 4.63 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 1.06 0.00 0.00 0.92 0.00 0.00 9 G 7.82 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 10 N 8.71 5.06 0.00 2.79 2.81 0.00 0.00 7.87 7.64 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 11 S 8.99 4.32 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.80 4.80 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.68 0.00 13 M 7.83 4.63 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.01 0.00 14 G 8.06 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 15 D 8.65 4.42 0.00 2.69 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 16 D 8.31 4.44 0.00 2.70 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 17 G 8.15 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 0.00 0.00 0.00 18 A 8.17 4.06 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 19 G 7.89 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 0.00 0.00 0.00 20 P 0.00 4.27 0.00 2.16 2.13 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 21 L 8.01 3.92 0.00 1.73 1.74 0.85 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.88 3.81 0.00 1.74 1.72 0.94 1.08 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 23 A 8.39 3.93 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 24 E 8.17 3.81 0.00 2.01 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 2.22 2.30 0.00 25 K 7.75 3.66 0.00 1.59 0.74 0.00 1.44 0.00 0.00 0.97 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.96 1.30 7.81 26 C 8.20 4.49 0.00 2.93 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 27 A 8.22 4.13 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 28 A 8.10 4.34 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 29 A 7.83 4.43 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.63 0.00 2.10 2.09 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 31 K 8.40 4.63 0.00 1.92 1.75 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.44 1.33 7.81 32 G 9.74 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 33 N 8.22 4.11 0.00 2.66 2.66 0.00 0.00 7.17 7.92 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 34 W 8.00 4.34 0.00 3.11 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 35 V 9.04 4.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.94 0.00 0.00 36 V 8.11 4.32 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 0.87 0.00 0.00 0.89 0.00 0.00 37 I 8.96 4.71 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 1.11 0.90 0.92 0.00 0.00 38 D 8.63 5.02 0.00 2.58 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 39 G 9.53 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 0.00 0.00 0.00 40 G 8.91 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 41 S 8.05 3.79 0.00 4.29 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 42 A 8.00 4.79 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 43 P 0.00 4.41 0.00 2.19 2.31 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 44 E 8.40 4.01 0.00 2.38 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 2.48 2.54 0.00 45 N 7.93 4.36 0.00 2.90 3.12 0.00 0.00 7.29 8.64 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 46 D 8.11 4.68 0.00 2.84 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 47 I 7.44 3.78 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.91 0.00 0.00 48 V 7.79 3.56 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 1.05 0.00 0.00 0.94 0.00 0.00 49 A 7.77 3.97 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 50 I 7.97 3.80 2.01 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 1.51 1.02 0.91 0.00 0.00 51 R 8.27 3.97 0.00 2.05 1.98 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 52 E 7.99 4.01 0.00 2.13 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 0.00 2.54 2.51 0.00 53 L 7.90 4.12 0.00 1.76 1.71 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.63 3.55 0.00 1.90 2.10 0.00 3.18 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 55 P 0.00 4.46 0.00 2.15 2.02 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 56 T 9.02 4.00 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 1.20 0.00 0.00 57 R 7.78 5.25 0.00 2.08 1.86 0.00 3.20 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 58 L 8.95 5.05 0.00 1.75 1.46 0.94 0.41 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 59 L 8.79 5.24 0.00 1.63 0.99 0.85 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.20 4.77 1.31 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 1.00 0.64 0.63 0.00 0.00 61 V 7.76 4.38 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 1.02 0.00 0.00 0.52 0.00 0.00 62 D 8.27 5.07 0.00 2.87 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 A 8.60 4.64 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 64 T 8.62 4.02 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 0.19 0.00 0.00 65 D 8.46 4.64 0.00 2.56 2.45 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 66 M 9.45 4.52 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 67 G 8.17 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 68 L 7.17 4.51 0.00 1.64 1.63 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.38 4.50 0.00 2.79 2.67 0.00 0.00 6.88 7.70 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 70 P 0.00 4.40 0.00 2.06 1.99 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 71 G 8.96 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 0.00 0.00 0.00 72 E 7.96 4.24 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 2.40 2.44 0.00 73 I 8.21 4.99 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.12 0.00 0.00 74 R 8.69 4.97 0.00 1.70 1.85 0.00 3.44 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 75 I 8.98 4.64 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 1.08 0.00 0.00 76 I 9.10 5.16 1.93 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 1.19 1.22 0.94 0.00 0.00 77 D 8.40 5.03 0.00 2.66 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 78 P 0.00 4.23 0.00 2.30 2.31 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 79 D 8.57 4.24 0.00 2.68 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.43 4.81 0.00 2.77 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 81 I 7.88 3.68 1.78 0.00 0.00 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 1.27 0.60 0.58 0.00 0.00 82 A 7.43 3.98 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 83 E 7.95 4.30 0.00 2.08 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 2.30 2.42 0.00 84 M 8.27 4.16 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.77 0.00 85 F 8.53 3.50 0.00 3.29 3.29 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 0.00 86 M 7.61 4.49 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 87 M 7.52 3.96 0.00 2.02 2.10 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 2.68 2.46 0.00 88 T 7.51 3.85 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 1.10 0.00 0.00 89 T 8.41 3.74 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 90 H 7.64 4.94 0.00 3.14 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 7.92 4.41 0.00 2.61 3.04 0.00 0.00 7.34 8.65 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 92 M 8.57 4.13 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.22 0.00 93 P 0.00 4.70 0.00 2.36 2.35 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 94 L 7.99 3.83 0.00 0.66 1.22 0.55 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.14 4.26 0.00 3.00 3.05 0.00 0.00 6.28 7.62 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 96 Y 7.68 4.13 0.00 3.17 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 97 L 6.49 3.74 0.00 0.84 1.31 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.45 3.65 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.33 0.92 0.00 0.00 99 D 8.05 4.58 0.00 2.74 2.87 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 0.00 100 Q 7.75 4.33 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 101 L 7.46 4.66 0.00 1.74 1.62 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.47 4.00 0.00 1.84 2.08 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.43 7.81 103 E 8.09 4.19 0.00 1.99 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 2.45 2.25 0.00 104 D 7.81 4.66 0.00 2.55 2.60 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 0.00 105 I 7.42 4.28 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.66 1.03 0.00 0.00 106 G 8.39 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.04 4.90 0.00 2.11 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 2.37 2.46 0.00 108 V 8.53 5.02 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 0.91 0.00 0.00 0.96 0.00 0.00 109 I 8.84 4.96 2.05 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.96 1.22 0.00 0.00 110 F 8.77 5.18 0.00 3.17 2.99 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 0.00 111 L 8.63 5.28 0.00 1.89 1.35 0.71 1.18 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 0.00 112 G 9.30 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 0.00 113 I 8.00 5.12 1.85 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 1.14 0.63 0.91 0.00 0.00 114 Q 9.33 4.71 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.20 0.00 0.00 0.00 0.00 0.00 2.40 2.16 0.00 115 P 0.00 4.92 0.00 2.06 2.00 0.00 3.72 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 1.91 1.88 0.00 116 D 9.72 4.56 0.00 2.48 2.60 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 0.00 117 I 7.88 4.35 1.80 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.66 1.01 0.00 0.00 118 V 8.35 4.70 1.99 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 0.75 0.00 0.00 0.86 0.00 0.00 119 G 7.80 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 0.00 0.00 0.00 0.00 120 F 8.13 4.63 0.00 3.20 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 0.00 121 Y 8.89 3.68 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 8.02 4.74 0.00 3.14 2.75 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 0.00 123 P 0.00 4.75 0.00 2.09 2.12 0.00 3.78 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.91 0.00 124 M 8.41 4.47 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 125 T 9.44 4.24 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 1.20 0.00 0.00 126 Q 8.91 3.97 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 127 P 0.00 4.25 0.00 2.43 2.29 0.00 3.63 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 2.06 2.04 0.00 128 I 7.67 3.85 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.59 0.94 0.00 0.00 129 K 8.08 3.89 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.60 7.81 130 D 8.43 4.31 0.00 2.79 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 0.00 131 A 7.97 3.98 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 0.00 132 V 8.11 3.50 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 1.12 0.00 0.00 0.95 0.00 0.00 133 E 8.53 4.07 0.00 2.21 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 0.00 2.38 2.51 0.00 134 T 8.19 3.97 4.53 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 1.45 0.00 0.00 135 V 8.14 3.86 2.20 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 0.87 0.00 0.00 0.80 0.00 0.00 136 Y 8.17 4.16 0.00 2.91 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 0.00 137 Q 8.27 3.84 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.89 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 138 R 8.32 4.14 0.00 2.34 2.53 0.00 3.01 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.00 0.00 139 L 7.81 4.25 0.00 1.85 1.86 0.59 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.27 4.47 0.00 2.10 2.08 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 2.39 2.32 0.00 141 G 8.64 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 0.00 0.00 0.00 0.00 142 W 8.76 4.18 0.00 3.81 3.40 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 0.00 143 E 9.55 4.14 0.00 2.18 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 2.20 2.32 0.00 144 G 7.75 4.57 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 0.00 0.00 0.00 145 N 7.25 4.32 0.00 2.69 2.89 0.00 0.00 6.10 6.87 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 0.00 146 G 7.77 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 0.00 0.00 0.00 147 G 7.96 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 0.00 0.00 0.00 148 F 7.29 4.26 0.00 3.08 2.89 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 0.00 149 A 8.62 4.24 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 0.00 150 Q 8.37 4.93 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 151 L 8.65 4.23 0.00 1.69 1.61 0.97 1.09 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 0.00 152 A 9.22 4.55 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 0.00 153 V 8.54 3.35 2.08 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 0.87 0.00 0.00 0.92 0.00 0.00 154 E 8.28 3.86 0.00 2.09 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 2.23 2.21 0.00 155 E 7.66 4.78 0.00 2.05 1.87 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 2.33 2.23 0.00 156 E 8.40 4.18 0.00 1.89 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 2.19 2.30 0.00