NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3805 8.3044 120.3464 55.5161 34.2578 176.4059 2 S 4.0818 7.7265 112.5865 57.7875 64.2817 173.1877 3 Q 3.9893 8.7921 126.6415 59.4853 29.0673 178.4996 4 M 4.1842 8.0478 118.6137 58.9173 32.3211 177.9459 5 M 4.0302 7.9683 118.4220 58.2938 32.1646 178.3750 6 Q 3.9858 8.7310 118.5677 59.2241 28.9403 178.7046 7 M 4.0752 8.2113 118.9140 58.9332 31.9124 177.4493 8 Y 3.6773 8.3891 119.8951 60.8056 38.6181 178.1320 9 Q 3.9399 8.5199 117.9254 58.9061 28.8576 178.5005 10 Q 4.0450 8.0194 119.4884 59.1241 29.3292 178.0070 11 V 4.0102 7.6824 110.7443 60.3603 32.6143 177.6190 12 G 3.8628 7.3663 103.5381 44.8611 0.0000 172.5626 13 P 4.2419 0.0000 0.0000 65.9140 30.8753 178.5501 14 A 4.0386 7.9423 120.1023 54.9229 18.3460 179.2812 15 Q 3.9069 7.9931 117.6054 59.1311 29.1485 177.7751 16 F 3.9921 8.2865 121.8506 61.2862 39.2256 177.2876 17 S 4.2652 8.4716 114.6714 61.6486 62.2496 176.5758 18 A 3.9664 7.7280 123.3600 55.1774 18.0635 179.7028 19 M 3.4484 7.8074 117.3417 58.4301 31.8814 179.0352 20 I 3.6685 7.4194 120.3405 64.1641 37.3279 178.7134 21 G 3.6170 7.8048 106.2352 47.0862 0.0000 175.6025 22 Q 3.9918 7.0978 120.7765 59.0765 29.3049 177.5024 23 F 4.8818 8.1769 117.7105 59.1998 40.1450 175.4320 24 A 4.6629 8.4776 122.2227 48.1983 19.2594 173.9275 25 P 4.8250 0.0000 0.0000 65.4268 31.7127 177.2639 26 Y 4.1664 7.9585 117.3024 60.5037 38.7211 177.9637 27 F 4.3869 8.1480 118.6125 60.1507 38.9747 177.1779 28 A 4.1301 8.2108 120.5835 54.4035 17.8701 179.4772 29 S 4.0791 7.5756 112.0256 60.3610 62.9202 175.5735 30 I 3.9846 7.2105 114.0208 59.1042 38.7991 174.9492 31 A 3.7358 7.8052 122.8612 52.8423 16.3288 175.7204 32 P 4.6590 0.0000 0.0000 62.7709 32.8102 176.4673 33 Q 4.6245 9.0108 118.7556 54.0564 32.0727 174.9302 34 F 4.2618 9.6821 124.4108 57.9455 39.2188 175.3451 35 V 4.3240 8.9149 122.7649 64.4044 33.0806 175.5847 36 E 4.9668 7.9577 118.8610 55.4206 33.2243 173.5709 37 L 5.0076 7.9507 127.1872 53.6593 45.1087 174.9910 38 R 4.3734 8.7659 121.1779 54.0980 32.5668 172.4218 39 P 4.0420 0.0000 0.0000 64.2546 31.6203 177.1785 40 G 3.9862 10.1745 111.1541 45.3770 0.0000 171.8470 41 Y 5.1501 7.6465 118.7924 56.4724 42.8986 173.0876 42 A 5.0528 8.1147 127.3726 50.1071 23.1233 174.3124 43 E 4.8154 9.3146 122.3977 54.3829 33.1821 174.5582 44 V 4.7772 8.7363 125.9150 61.3228 35.4929 173.9603 45 T 5.2728 8.7643 116.6558 60.1915 72.3479 172.6669 46 F 5.3691 8.3894 116.3910 54.7534 41.5347 171.9481 47 P 4.8470 0.0000 0.0000 62.4365 32.4303 175.5294 48 K 4.3567 9.1882 125.1003 56.2716 32.8331 176.2006 49 R 4.5770 8.5833 121.9436 54.8942 32.6160 175.5104 50 R 3.8632 8.8640 118.5698 59.7778 29.8169 178.1606 51 E 4.0116 8.2969 114.8791 58.9213 29.7127 178.2663 52 V 4.3389 7.8129 110.5231 60.9122 32.0323 175.6036 53 L 4.7688 7.6404 120.0776 54.3530 42.5626 176.3721 54 N 5.0862 8.3447 118.8970 51.5089 39.6247 174.9521 55 H 4.4961 8.7967 112.4769 57.3297 28.8157 175.5673 56 I 4.1401 7.7649 113.2464 60.4626 37.4793 176.5223 57 G 3.8397 8.1851 108.2155 46.2020 0.0000 173.5775 58 T 4.5108 7.4322 110.1914 59.3946 72.1299 173.6452 59 V 4.2367 8.5894 122.8181 62.7994 32.0901 175.3024 60 H 4.0869 9.6266 128.5215 56.5857 30.3714 175.6799 61 A 4.0045 8.8366 127.1859 55.7097 18.0070 179.5586 62 I 4.0500 8.0697 116.7225 63.6363 37.4356 178.1456 63 A 3.8449 7.9816 122.2419 54.8890 18.1220 179.6461 64 L 3.9066 7.7313 117.1492 58.1061 41.6086 179.3100 65 C 4.3093 7.8974 116.6122 62.7254 28.0571 175.6774 66 N 4.4218 8.2744 118.5748 56.7065 38.4818 176.8385 67 A 3.8612 7.8778 121.9968 54.9208 18.3556 179.5005 68 A 3.9699 8.0836 119.4079 55.2666 18.4926 179.4050 69 E 4.0262 8.5975 118.1202 59.3497 29.7712 178.7933 70 L 3.3615 8.0308 120.0225 57.9296 42.1036 178.8912 71 A 3.8852 8.0839 120.5572 55.0981 18.3642 179.4987 72 A 4.0434 8.4334 119.9027 55.1305 18.3633 180.1694 73 G 3.4146 8.5990 104.9562 48.1448 0.0000 176.1439 74 T 3.9523 8.0239 112.7856 64.5446 68.5895 176.3217 75 M 3.7049 7.7874 120.1748 58.4710 32.6292 178.0652 76 T 3.4773 7.4450 115.7286 66.5312 68.3335 176.1644 77 D 4.2495 7.3616 118.4702 57.1856 41.3406 177.7551 78 A 4.0499 7.8418 119.9498 53.9498 18.4922 178.6727 79 S 4.1929 7.0484 112.1248 58.2681 64.1666 174.9170 80 I 4.5207 6.7412 113.0562 58.6661 38.7640 173.9040 81 P 4.3352 0.0000 0.0000 62.4493 31.8207 177.3727 82 A 4.0093 8.7269 123.8178 55.5059 18.4304 178.9926 83 G 3.9505 8.0948 102.1965 46.3459 0.0000 172.3533 84 H 5.6084 8.0849 116.8586 53.9640 31.6200 173.6385 85 R 5.1092 9.1727 116.6231 54.5484 33.2842 173.7900 86 W 5.8305 8.1902 114.8739 55.6223 31.4637 173.9472 87 I 4.3517 8.5867 119.6613 59.2870 41.3236 172.0920 88 P 5.0290 0.0000 0.0000 63.0718 31.4437 176.2854 89 R 4.3762 9.1909 122.5036 57.0313 32.0335 176.2641 90 G 4.0412 7.6114 103.5973 47.1306 0.0000 171.3582 91 M 5.3590 8.4209 117.3396 54.7728 35.3310 174.1789 92 T 4.7032 8.8651 120.8413 61.8771 72.0427 173.5028 93 V 4.6006 8.2553 117.8524 59.3958 36.0720 174.6493 94 E 4.3456 8.2676 121.3410 54.7014 33.2706 174.6960 95 Y 4.7333 8.4024 121.6033 56.9577 38.3774 175.2221 96 L 4.4798 8.9583 125.5120 56.6610 42.8134 177.1447 97 A 4.5921 7.6624 118.0438 50.7007 21.9243 175.7108 98 K 4.0144 8.5065 119.1596 56.3313 32.9152 177.1472 99 A 4.5172 8.5032 126.0285 51.3688 19.1001 177.2763 100 T 4.6558 8.1118 112.6903 61.3919 69.2979 173.9536 101 G 4.0630 7.4079 108.0237 46.4289 0.0000 173.1456 102 D 4.4277 8.7760 119.4591 54.7061 41.5776 176.5109 103 V 4.3712 7.8983 121.8908 61.1379 34.2551 174.4319 104 R 4.9145 8.9641 127.0552 54.6005 32.6765 173.7929 105 A 5.1342 9.4575 129.5922 50.3378 21.5108 175.4747 106 V 4.5595 9.0586 122.6001 60.9479 34.6888 174.1255 107 A 4.7906 8.6864 131.1115 50.9396 20.2980 175.3225 108 D 4.5633 8.9888 124.2754 52.8163 41.7458 175.7585 109 G 4.5573 8.8599 115.0973 45.3410 0.0000 174.4099 110 S 4.3040 8.8300 117.1228 60.4230 62.9468 175.1862 111 Q 4.5955 8.1075 117.5529 55.3778 29.2550 174.5844 112 I 3.9727 7.2372 119.1501 59.3540 38.7362 175.4126 113 D 4.4369 7.9990 124.3984 53.0485 39.8118 176.6066 114 W 4.3963 8.5201 126.6590 58.2101 29.2980 177.8850 115 Q 4.3720 8.2337 116.6311 56.2204 28.9335 176.1081 116 A 4.1971 7.6990 121.2873 52.0345 18.9186 176.3845 117 T 4.4376 8.3577 109.4832 59.9159 72.2204 174.1582 118 G 3.8453 8.5332 106.6476 44.2324 0.0000 171.7007 119 N 5.1990 8.5573 117.8712 53.0938 39.7045 174.9425 120 L 4.6974 9.2853 123.2068 52.8094 45.6293 175.5634 121 V 4.6371 8.3737 123.3019 61.3163 33.1018 174.7469 122 V 4.3500 8.7903 129.8755 60.9612 33.0660 172.8977 123 P 5.1556 0.0000 0.0000 61.9906 33.4403 174.9080 124 V 4.9687 8.9782 122.0054 61.2097 35.3789 174.1785 125 V 4.7920 8.8370 125.8832 60.9661 34.8745 173.8110 126 A 5.1714 9.0485 128.8686 50.3694 21.8126 174.8621 127 Y 5.2926 9.1219 118.5894 56.1901 42.3370 174.9534 128 V 4.6255 8.4222 120.4655 61.8654 35.1202 175.0416 129 D 4.3982 9.8089 126.7390 55.5162 39.5806 173.6116 130 D 4.4317 8.3895 113.2664 54.2439 39.0315 173.9199 131 K 4.7464 8.0209 120.2573 53.5059 33.9512 174.0968 132 P 4.6279 0.0000 0.0000 63.2332 31.7344 176.3047 133 V 4.4981 8.4712 114.3502 60.9199 34.1690 174.9056 134 F 5.1568 7.6390 120.5617 57.4606 42.6169 172.6923 135 R 4.9824 7.7215 122.3330 54.5532 34.7568 173.9424 136 A 4.8972 8.7344 122.1995 50.4659 23.5776 174.9653 137 E 5.0410 9.2409 118.8822 54.6950 33.2549 174.9541 138 I 4.8647 8.7557 125.9956 59.8306 40.0752 174.8280 139 T 4.8905 8.8154 124.5497 62.8108 70.0740 173.6582 140 M 5.2405 9.3097 126.9598 53.7660 35.2407 174.2531 141 Y 5.0996 9.1881 124.9999 56.1612 40.9970 174.1715 142 V 4.9366 8.2493 127.4949 61.1708 34.1787 174.5690 143 S 4.7844 8.5816 121.0142 56.3995 67.1809 172.9615 144 Q 4.4726 8.5050 118.9882 55.4423 29.3772 176.3806 145 A 4.2589 9.1982 124.9082 52.2998 18.0454 177.3500 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 4.38 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 2 S 7.73 4.08 0.00 4.02 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 3 Q 8.79 3.99 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 4 M 8.05 4.18 0.00 2.11 2.40 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.92 0.00 5 M 7.97 4.03 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 6 Q 8.73 3.99 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 7 M 8.21 4.08 0.00 2.48 2.21 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.90 0.00 8 Y 8.39 3.68 0.00 2.30 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 9 Q 8.52 3.94 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 10 Q 8.02 4.04 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 11 V 7.68 4.01 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 0.82 0.00 0.00 1.06 0.00 0.00 12 G 7.37 3.86 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 0.00 0.00 0.00 13 P 0.00 4.24 0.00 2.57 2.55 0.00 3.53 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 14 A 7.94 4.04 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 15 Q 7.99 3.91 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 16 F 8.29 3.99 0.00 3.16 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 17 S 8.47 4.27 0.00 4.20 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 0.00 18 A 7.73 3.97 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 19 M 7.81 3.45 0.00 1.06 1.68 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.36 0.00 20 I 7.42 3.67 1.71 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.34 0.99 0.00 0.00 21 G 7.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.10 3.99 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 23 F 8.18 4.88 0.00 3.16 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 24 A 8.48 4.66 1.37 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 0.00 0.00 25 P 0.00 4.83 0.00 2.20 2.18 0.00 3.91 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 2.16 2.24 0.00 26 Y 7.96 4.17 0.00 2.93 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 27 F 8.15 4.39 0.00 3.24 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 28 A 8.21 4.13 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 29 S 7.58 4.08 0.00 3.81 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 30 I 7.21 3.98 0.98 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.41 0.00 0.00 31 A 7.81 3.74 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 32 P 0.00 4.66 0.00 2.08 1.94 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 33 Q 9.01 4.62 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 34 F 9.68 4.26 0.00 3.19 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 35 V 8.91 4.32 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 0.80 0.00 0.00 0.96 0.00 0.00 36 E 7.96 4.97 0.00 2.21 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 0.00 2.37 2.24 0.00 37 L 7.95 5.01 0.00 1.03 0.13 0.72 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.77 4.37 0.00 1.92 1.90 0.00 2.79 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 39 P 0.00 4.04 0.00 1.96 1.88 0.00 3.63 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 40 G 10.17 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 Y 7.65 5.15 0.00 3.04 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 42 A 8.11 5.05 1.14 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 43 E 9.31 4.82 0.00 1.85 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 2.20 2.24 0.00 44 V 8.74 4.78 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 0.55 0.00 0.00 -0.17 0.00 0.00 45 T 8.76 5.27 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 1.20 0.00 0.00 46 F 8.39 5.37 0.00 3.29 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 47 P 0.00 4.85 0.00 2.12 2.10 0.00 4.18 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 48 K 9.19 4.36 0.00 1.77 1.72 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.38 7.81 49 R 8.58 4.58 0.00 2.00 2.00 0.00 3.18 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 50 R 8.86 3.86 0.00 1.87 2.01 0.00 3.20 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 51 E 8.30 4.01 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 2.32 2.41 0.00 52 V 7.81 4.34 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 0.75 0.00 0.00 1.19 0.00 0.00 53 L 7.64 4.77 0.00 1.77 1.61 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.34 5.09 0.00 2.90 2.88 0.00 0.00 7.03 7.18 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 55 H 8.80 4.50 0.00 3.30 3.46 0.00 5.49 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.76 4.14 1.79 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 1.11 0.72 0.68 0.00 0.00 57 G 8.19 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 58 T 7.43 4.51 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 1.19 0.00 0.00 59 V 8.59 4.24 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 0.92 0.00 0.00 0.94 0.00 0.00 60 H 9.63 4.09 0.00 3.39 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.84 4.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.07 4.05 1.96 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 1.73 1.08 1.03 0.00 0.00 63 A 7.98 3.84 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 64 L 7.73 3.91 0.00 1.36 0.65 0.93 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 65 C 7.90 4.31 0.00 3.31 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 66 N 8.27 4.42 0.00 2.93 2.73 0.00 0.00 7.06 7.55 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 67 A 7.88 3.86 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 68 A 8.08 3.97 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 69 E 8.60 4.03 0.00 2.30 2.49 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 2.70 2.83 0.00 70 L 8.03 3.36 0.00 0.76 1.48 0.35 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.08 3.89 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 72 A 8.43 4.04 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 73 G 8.60 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.02 3.95 4.37 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 1.49 0.00 0.00 75 M 7.79 3.70 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.92 0.00 76 T 7.44 3.48 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 77 D 7.36 4.25 0.00 2.96 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 78 A 7.84 4.05 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.05 4.19 0.00 2.72 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 80 I 6.74 4.52 2.05 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.21 1.18 0.00 0.00 81 P 0.00 4.34 0.00 1.94 1.94 0.00 3.62 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 82 A 8.73 4.01 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 83 G 8.09 3.95 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 0.00 0.00 0.00 84 H 8.08 5.61 0.00 3.26 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 9.17 5.11 0.00 1.77 2.02 0.00 2.77 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 86 W 8.19 5.83 0.00 3.53 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 87 I 8.59 4.35 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.33 1.05 0.00 0.00 88 P 0.00 5.03 0.00 2.13 2.17 0.00 3.78 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 2.32 2.67 0.00 89 R 9.19 4.38 0.00 1.70 2.00 0.00 3.39 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 90 G 7.61 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 8.42 5.36 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 92 T 8.87 4.70 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 93 V 8.26 4.60 1.37 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 0.72 0.00 0.00 0.51 0.00 0.00 94 E 8.27 4.35 0.00 1.63 1.63 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 2.09 2.13 0.00 95 Y 8.40 4.73 0.00 2.94 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 96 L 8.96 4.48 0.00 1.57 1.73 0.88 0.58 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 97 A 7.66 4.59 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 98 K 8.51 4.01 0.00 1.76 1.75 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.44 7.81 99 A 8.50 4.52 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 0.00 100 T 8.11 4.66 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 1.26 0.00 0.00 101 G 7.41 4.06 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 0.00 0.00 0.00 102 D 8.78 4.43 0.00 2.49 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 0.00 103 V 7.90 4.37 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 0.83 0.00 0.00 0.47 0.00 0.00 104 R 8.96 4.91 0.00 1.89 1.88 0.00 3.14 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 105 A 9.46 5.13 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 0.00 106 V 9.06 4.56 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 0.88 0.00 0.00 1.07 0.00 0.00 107 A 8.69 4.79 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 0.00 108 D 8.99 4.56 0.00 2.79 2.69 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 0.00 0.00 0.00 0.00 109 G 8.86 4.56 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 0.00 110 S 8.83 4.30 0.00 4.04 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 0.00 111 Q 8.11 4.60 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 112 I 7.24 3.97 1.02 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.36 -0.48 0.00 0.00 113 D 8.00 4.44 0.00 2.66 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 0.00 114 W 8.52 4.40 0.00 3.49 3.39 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 0.00 115 Q 8.23 4.37 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 116 A 7.70 4.20 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 0.00 117 T 8.36 4.44 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 1.00 0.00 0.00 118 G 8.53 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 0.00 0.00 0.00 119 N 8.56 5.20 0.00 2.67 2.81 0.00 0.00 6.53 7.85 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 0.00 120 L 9.29 4.70 0.00 1.43 1.27 0.66 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.37 4.64 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 0.76 0.00 0.00 0.92 0.00 0.00 122 V 8.79 4.35 2.24 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 1.10 0.00 0.00 1.06 0.00 0.00 123 P 0.00 5.16 0.00 2.16 2.14 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.97 0.00 124 V 8.98 4.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.03 0.00 0.00 125 V 8.84 4.79 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.91 0.00 0.00 126 A 9.05 5.17 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 0.00 127 Y 9.12 5.29 0.00 2.85 2.85 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 0.00 128 V 8.42 4.63 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 1.03 0.00 0.00 0.94 0.00 0.00 129 D 9.81 4.40 0.00 2.76 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 0.00 130 D 8.39 4.43 0.00 2.85 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 0.00 131 K 8.02 4.75 0.00 1.96 1.77 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.39 7.81 132 P 0.00 4.63 0.00 2.14 2.06 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 133 V 8.47 4.50 2.35 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 0.77 0.00 0.00 1.01 0.00 0.00 134 F 7.64 5.16 0.00 3.17 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 0.00 135 R 7.72 4.98 0.00 1.64 1.52 0.00 3.08 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 136 A 8.73 4.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 9.24 5.04 0.00 1.81 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 0.00 2.18 2.19 0.00 138 I 8.76 4.86 1.95 0.00 0.00 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 1.32 0.89 1.04 0.00 0.00 139 T 8.82 4.89 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 1.28 0.00 0.00 140 M 9.31 5.24 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.71 0.00 141 Y 9.19 5.10 0.00 3.11 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 0.00 142 V 8.25 4.94 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 0.93 0.00 0.00 1.04 0.00 0.00 143 S 8.58 4.78 0.00 3.88 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 0.00 144 Q 8.50 4.47 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.12 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 145 A 9.20 4.26 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