NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-2 S 4.4248 8.3193 117.1009 57.4319 64.8179 173.9762 -1 N 4.5908 7.7255 118.1495 52.4194 39.6841 173.9855 0 A 3.9712 8.6068 121.6303 55.3561 18.7637 180.6004 1 M 3.9986 7.9837 116.4175 58.9535 32.4658 178.5266 2 S 4.3067 8.2155 113.9984 61.6399 63.1245 176.1775 3 M 4.0518 8.4624 122.4069 58.2035 31.7056 178.6290 4 A 4.0091 8.1901 120.8294 55.1440 18.4852 178.8708 5 Y 4.0845 8.5689 118.4945 61.0203 38.8327 178.2106 6 E 3.9509 8.5072 119.3401 59.6352 29.5631 179.2300 7 E 3.9461 8.3189 118.4204 59.5259 29.5288 178.9183 8 Y 4.2625 8.1258 119.3634 61.2255 39.0813 177.9243 9 M 3.7185 7.9059 119.8663 58.0850 31.6705 178.7090 10 R 3.7497 7.7477 118.2442 59.5331 30.6441 178.3170 11 Q 4.0859 7.8965 117.4360 58.4591 28.5748 177.8032 12 L 3.7711 7.8667 121.0494 58.4994 42.1529 179.0883 13 V 3.6927 7.5093 116.5219 64.5752 31.3845 177.7721 14 V 3.5599 7.3212 118.4518 65.8814 30.8919 175.9689 15 P 4.2753 0.0000 0.0000 66.4345 30.7393 178.0939 16 M 4.1771 7.7607 117.1091 57.7053 32.0933 178.6475 17 R 4.2663 8.0446 118.8558 59.2879 30.3127 179.0537 18 R 4.6034 7.9121 118.3932 58.2001 29.9001 178.3438 19 E 3.8980 7.6780 118.5527 59.0109 29.7368 178.5165 20 L 4.0550 7.7032 118.5681 57.7210 42.1847 179.2128 21 T 4.3425 7.4569 110.9997 64.0796 68.3737 176.5281 22 G 3.7595 8.4014 107.6174 46.3995 0.0000 174.4968 23 A 4.7804 8.2194 121.5011 51.7230 19.6109 177.3309 24 G 3.8461 7.9665 107.1918 45.5404 0.0000 174.1717 25 F 4.3720 8.2805 119.2977 57.1220 39.9888 174.6203 26 E 4.3713 8.7914 125.1901 56.2856 30.3875 176.4433 27 E 4.5777 8.8578 124.4791 56.1732 30.5871 176.1681 28 L 4.8293 8.7636 125.1994 53.6200 42.6644 176.2936 29 T 4.5306 9.5055 114.8745 61.6710 70.5558 175.0122 30 T 4.6571 7.6204 115.2131 59.5013 71.6530 173.7967 31 A 4.0521 8.5698 126.3242 55.6478 18.2296 180.0759 32 E 4.0143 8.4053 116.8496 59.4239 29.4866 179.2332 33 E 3.9799 8.1711 118.2238 59.3831 29.5601 179.3764 34 V 3.5577 7.8472 118.0865 65.9561 31.5955 177.3043 35 E 4.0722 8.7651 119.3360 59.5716 28.9558 178.1903 36 N 4.3702 8.7091 117.0617 56.8745 38.7108 176.5286 37 F 3.8603 8.5586 122.0601 61.6431 39.3294 177.1030 38 M 4.1465 8.1057 116.9454 57.9211 31.5971 178.5514 39 E 4.1468 7.4827 116.9616 59.2734 29.9497 178.1136 40 K 4.1320 7.0833 113.9469 56.5014 32.2023 177.1610 41 A 3.7226 7.0660 122.4507 51.9527 18.6274 177.2661 42 E 4.6414 7.9320 121.3872 55.4055 34.3214 177.7877 43 G 3.7995 8.4320 108.3121 45.8641 0.0000 171.8949 44 T 5.6571 7.9615 109.6532 59.9861 71.4375 174.3726 45 T 5.1211 8.3078 120.0194 61.7542 72.5200 172.3547 46 L 4.8770 8.8355 129.2654 54.0946 43.6460 175.1185 47 V 4.8201 9.1127 127.4375 61.3433 33.8116 174.3250 48 V 4.4007 8.5987 128.2943 61.2790 33.5414 174.7442 49 V 4.1516 8.7128 129.7165 61.8574 32.0979 174.9375 50 N 4.6532 9.2846 128.2537 53.4805 40.3296 173.3755 51 S 4.9136 7.4286 115.0959 57.1213 65.0215 174.5894 52 V 3.9977 8.6494 122.9707 63.5544 32.0065 177.0402 53 C 4.5115 8.0918 119.4044 59.3467 29.8548 174.6948 54 G 3.6193 8.5743 109.2644 47.9503 0.0000 175.6964 55 C 4.1549 8.0518 115.7235 60.4756 29.9260 175.7629 56 A 3.8372 7.8909 123.1273 54.9432 17.8262 179.2052 57 A 3.9543 7.4806 118.1234 55.4711 18.6668 179.9492 58 G 3.7119 8.1536 102.6010 46.6742 0.0000 173.6164 59 L 4.5040 7.5585 117.6875 55.8789 44.2300 178.1950 60 A 3.8908 8.0777 120.0958 55.3455 18.2414 179.7788 61 R 3.6499 8.0521 115.4929 58.7841 30.2843 177.7245 62 P 4.1739 0.0000 0.0000 65.4528 31.3804 178.4331 63 A 3.9460 8.1126 119.4244 55.1079 18.2872 179.4950 64 A 4.0128 8.4076 119.8156 55.6025 18.2608 180.0426 65 T 4.0652 7.8588 107.1158 65.1619 69.1453 176.5964 66 Q 4.1396 8.7449 121.1706 58.3871 28.5222 178.5615 67 A 3.9995 8.4610 122.3026 55.3154 18.3315 179.9249 68 V 3.6413 7.8732 114.8144 65.1371 31.5622 177.1129 69 L 4.3981 7.3479 118.5630 56.3324 44.0034 177.1461 70 Q 4.3752 7.8297 119.1529 52.6667 27.2358 174.4925 71 N 4.4118 7.3051 111.7167 52.8785 42.4999 173.7984 72 D 4.4672 9.1662 126.2290 57.2994 41.1935 176.9918 73 K 4.3094 7.9162 117.9651 55.8231 32.7594 176.3792 74 T 4.0964 7.8737 112.5350 58.9511 71.7076 171.8540 75 P 4.7894 0.0000 0.0000 62.2590 32.0327 176.5053 76 D 4.5032 8.4452 120.2003 56.7754 41.4504 176.6290 77 N 5.2501 9.0050 115.3637 51.4370 42.5979 174.1809 78 T 4.7748 8.1104 110.9011 60.1848 71.8250 173.1029 79 V 5.0362 8.6204 118.5488 59.9575 36.7760 174.1458 80 T 5.2363 9.0400 115.5269 60.8446 71.2226 172.8416 81 V 4.7030 8.5410 118.6882 59.5616 36.1601 174.8352 82 F 4.6422 8.6943 125.8008 56.0927 40.3394 174.5319 83 A 4.2938 8.6429 130.2193 53.5692 18.7914 177.9129 84 G 4.1748 9.1432 110.9431 45.4052 0.0000 174.4090 85 Q 4.2808 7.8685 116.8895 57.2159 30.3724 176.3199 86 D 4.9256 8.0854 118.7572 52.5112 40.4106 176.9165 87 K 3.9994 8.0203 122.7735 59.6669 32.6874 178.7903 88 E 4.0354 8.1980 117.9585 58.9777 29.3884 179.2095 89 A 3.9950 7.8257 120.8977 55.4409 18.6499 179.5841 90 T 3.9771 8.1275 107.8037 64.3949 68.7882 176.8866 91 A 4.0027 7.9015 123.3758 54.6420 18.6461 179.2339 92 K 4.2923 8.0604 119.6399 59.4981 32.3588 178.8314 93 M 4.0535 8.0171 118.4675 58.6377 32.0986 178.3448 94 R 3.5495 7.7979 117.9767 58.6651 29.6146 178.7058 95 E 4.0059 7.8498 118.1044 58.8396 29.1174 177.6930 96 Y 4.5983 7.5128 114.7357 58.2970 38.1862 175.6263 97 F 5.1817 8.1551 119.3702 57.1724 39.7955 175.0011 98 T 4.0035 8.0762 115.5109 63.4559 67.4758 172.7832 99 G 4.0506 8.9958 116.8909 45.6036 0.0000 173.6841 100 A 4.1218 7.5263 121.4679 50.0874 20.1409 176.7281 101 A 4.2288 7.9590 124.3939 50.9918 19.3978 175.7894 102 P 4.5521 0.0000 0.0000 62.5208 31.9774 176.1075 103 S 4.6756 8.4521 116.0846 58.0324 65.4728 173.7405 104 S 4.8443 8.1066 113.5817 56.4370 64.7304 172.9488 105 P 4.7389 0.0000 0.0000 63.2735 32.7002 174.8634 106 S 4.5679 8.4873 114.0606 57.5508 67.2794 172.4540 107 M 5.2486 8.3088 118.2803 53.6205 36.5278 174.4260 108 A 4.9591 9.0127 123.2069 50.0397 23.0866 174.4780 109 L 5.1233 8.9106 123.3971 53.3936 44.5310 175.2677 110 L 5.2544 9.0514 125.3793 52.7961 46.0805 175.4363 111 K 4.6137 8.8225 124.1138 54.8768 33.9030 177.3553 112 G 3.9811 9.4290 121.3548 46.8367 0.0000 174.0573 113 K 4.4832 9.1367 122.5037 55.9749 33.6184 174.9573 114 E 4.6541 7.9929 121.9551 54.3295 30.9395 175.1729 115 V 4.3467 8.4273 126.1293 61.8684 32.1399 176.0541 116 V 4.4224 8.5657 116.2290 61.3540 33.4676 175.0407 117 H 4.9165 7.8174 119.2547 54.9874 33.3108 171.7630 118 F 5.0023 8.1823 125.1715 56.5983 42.8124 173.8808 119 I 4.2852 7.8262 126.8351 58.4646 39.2662 173.7085 120 P 4.7340 0.0000 0.0000 61.8104 32.4759 177.5898 121 R 4.0288 9.0489 119.0065 59.1050 29.8757 177.9956 122 H 4.5277 8.1285 110.4929 57.2166 28.7381 175.3110 123 E 4.3313 7.8145 119.0827 56.4028 29.5677 175.5211 124 I 4.2344 7.7482 118.2429 62.3715 39.8582 175.0349 125 E 3.9843 8.0404 119.8466 58.1471 29.7127 177.1032 126 G 3.8551 9.0318 113.3758 46.4736 0.0000 172.2105 127 H 5.0691 7.7823 114.4586 53.1030 32.7802 173.4120 128 D 4.7671 9.0020 120.8339 53.5054 43.2783 177.5135 129 M 4.0336 8.7585 123.5013 59.7575 31.9388 179.0530 130 E 3.9403 8.1189 118.0443 61.1399 30.0703 181.4644 131 E 4.1369 8.0941 118.1435 59.1213 29.5746 179.2216 132 I 3.5696 7.7170 120.9614 64.4789 37.0389 178.2582 133 M 4.1201 7.9381 117.2907 57.4681 31.1867 178.3761 134 K 4.0498 8.1883 123.0887 58.8249 32.3476 177.8738 135 N 4.1649 8.3209 117.5585 56.9352 38.7695 176.2512 136 L 3.5478 8.3040 120.5023 58.1791 41.6890 179.7061 137 T 3.3700 8.6558 109.8030 64.6215 68.6200 175.8484 138 A 3.9866 7.8801 123.4192 55.0366 18.5234 179.2446 139 A 3.8808 7.7503 118.7475 55.4296 18.2171 179.7538 140 F 4.4534 8.2257 116.2647 61.1149 38.8162 177.6079 141 D 4.3107 8.2358 117.0856 57.4573 40.6951 178.5625 142 A 4.1084 8.0760 120.1957 54.5569 18.3968 177.9194 143 H 4.8058 8.0105 111.3220 55.8299 31.4881 173.5441 144 C 4.2998 9.0539 122.1948 59.7410 28.0763 173.3386 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 S 8.32 4.42 0.00 3.65 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 -1 N 7.73 4.59 0.00 2.99 3.01 0.00 0.00 6.12 6.68 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 A 8.61 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 1 M 7.98 4.00 0.00 2.15 2.08 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 2.70 2.66 0.00 2 S 8.22 4.31 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 3 M 8.46 4.05 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.58 0.00 4 A 8.19 4.01 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 5 Y 8.57 4.08 0.00 3.08 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 6 E 8.51 3.95 0.00 2.35 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 2.37 2.44 0.00 7 E 8.32 3.95 0.00 2.14 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 2.46 2.48 0.00 8 Y 8.13 4.26 0.00 2.99 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 9 M 7.91 3.72 0.00 1.74 1.72 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.58 0.00 10 R 7.75 3.75 0.00 1.90 2.07 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 11 Q 7.90 4.09 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 12 L 7.87 3.77 0.00 1.41 1.48 0.76 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.51 3.69 1.91 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 0.15 0.00 0.00 0.59 0.00 0.00 14 V 7.32 3.56 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 0.99 0.00 0.00 0.96 0.00 0.00 15 P 0.00 4.28 0.00 2.31 2.31 0.00 3.87 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 2.19 2.06 0.00 16 M 7.76 4.18 0.00 2.08 2.53 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 17 R 8.04 4.27 0.00 2.13 2.11 0.00 3.10 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 18 R 7.91 4.60 0.00 1.87 1.99 0.00 3.42 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 19 E 7.68 3.90 0.00 1.95 1.94 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 2.24 2.32 0.00 20 L 7.70 4.05 0.00 1.76 1.42 0.58 0.09 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 21 T 7.46 4.34 4.29 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 1.43 0.00 0.00 22 G 8.40 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 23 A 8.22 4.78 1.46 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 0.00 0.00 24 G 7.97 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 25 F 8.28 4.37 0.00 3.05 3.03 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 0.00 0.00 0.00 26 E 8.79 4.37 0.00 1.86 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 2.34 2.27 0.00 27 E 8.86 4.58 0.00 1.88 1.92 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 2.37 2.39 0.00 28 L 8.76 4.83 0.00 1.44 1.57 0.57 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.51 4.53 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 1.26 0.00 0.00 30 T 7.62 4.66 4.26 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 1.31 0.00 0.00 31 A 8.57 4.05 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 E 8.41 4.01 0.00 2.06 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 2.35 2.37 0.00 33 E 8.17 3.98 0.00 2.19 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 2.43 2.40 0.00 34 V 7.85 3.56 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 1.05 0.00 0.00 1.06 0.00 0.00 35 E 8.77 4.07 0.00 2.35 2.14 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 2.41 2.49 0.00 36 N 8.71 4.37 0.00 2.92 3.07 0.00 0.00 6.94 8.23 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 37 F 8.56 3.86 0.00 3.19 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 38 M 8.11 4.15 0.00 1.38 1.64 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.68 0.00 39 E 7.48 4.15 0.00 1.97 2.00 0.00 0.00 0.00 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 2.54 0.00 40 K 7.08 4.13 0.00 1.75 1.71 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.25 7.81 41 A 7.07 3.72 1.01 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 42 E 7.93 4.64 0.00 1.84 1.76 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 2.14 2.37 0.00 43 G 8.43 3.80 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 0.00 0.00 0.00 44 T 7.96 5.66 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 45 T 8.31 5.12 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 1.37 0.00 0.00 46 L 8.84 4.88 0.00 1.86 1.57 1.15 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 V 9.11 4.82 2.28 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 1.17 0.00 0.00 1.07 0.00 0.00 48 V 8.60 4.40 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.83 0.00 0.00 49 V 8.71 4.15 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 0.89 0.00 0.00 1.13 0.00 0.00 50 N 9.28 4.65 0.00 2.36 1.55 0.00 0.00 6.31 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 51 S 7.43 4.91 0.00 3.79 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 52 V 8.65 4.00 2.22 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 0.82 0.00 0.00 0.97 0.00 0.00 53 C 8.09 4.51 0.00 2.99 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 54 G 8.57 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 55 C 8.05 4.15 0.00 3.14 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 56 A 7.89 3.84 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 57 A 7.48 3.95 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 58 G 8.15 3.71 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 59 L 7.56 4.50 0.00 1.89 1.60 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.08 3.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.05 3.65 0.00 1.77 1.85 0.00 2.99 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.75 0.00 62 P 0.00 4.17 0.00 2.12 2.07 0.00 3.64 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 2.18 2.14 0.00 63 A 8.11 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 64 A 8.41 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 65 T 7.86 4.07 4.31 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 1.24 0.00 0.00 66 Q 8.74 4.14 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 67 A 8.46 4.00 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 68 V 7.87 3.64 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 0.75 0.00 0.00 1.16 0.00 0.00 69 L 7.35 4.40 0.00 2.01 1.69 0.94 0.76 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 70 Q 7.83 4.38 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.45 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 71 N 7.31 4.41 0.00 2.88 2.94 0.00 0.00 7.33 8.47 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 72 D 9.17 4.47 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.92 4.31 0.00 1.82 1.77 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.40 7.81 74 T 7.87 4.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 75 P 0.00 4.79 0.00 1.97 1.84 0.00 3.16 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.32 0.00 76 D 8.45 4.50 0.00 2.67 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 77 N 9.01 5.25 0.00 2.74 2.91 0.00 0.00 6.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.11 4.77 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 0.79 0.00 0.00 79 V 8.62 5.04 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 0.04 0.00 0.00 0.62 0.00 0.00 80 T 9.04 5.24 4.26 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 1.28 0.00 0.00 81 V 8.54 4.70 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 0.77 0.00 0.00 0.95 0.00 0.00 82 F 8.69 4.64 0.00 3.11 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 83 A 8.64 4.29 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 84 G 9.14 4.17 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 0.00 0.00 0.00 85 Q 7.87 4.28 0.00 1.66 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.19 0.00 0.00 0.00 0.00 0.00 2.05 1.67 0.00 86 D 8.09 4.93 0.00 2.73 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 87 K 8.02 4.00 0.00 1.81 1.88 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.56 1.65 7.81 88 E 8.20 4.04 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 2.41 2.38 0.00 89 A 7.83 4.00 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 90 T 8.13 3.98 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 1.38 0.00 0.00 91 A 7.90 4.00 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 92 K 8.06 4.29 0.00 2.08 2.00 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.51 7.81 93 M 8.02 4.05 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.50 0.00 94 R 7.80 3.55 0.00 2.06 1.94 0.00 3.31 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 95 E 7.85 4.01 0.00 1.90 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 2.25 2.49 0.00 96 Y 7.51 4.60 0.00 3.15 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 0.00 97 F 8.16 5.18 0.00 3.22 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 98 T 8.08 4.00 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 1.29 0.00 0.00 99 G 9.00 4.05 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 0.00 0.00 0.00 100 A 7.53 4.12 0.08 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 0.00 0.00 101 A 7.96 4.23 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 0.00 102 P 0.00 4.55 0.00 2.10 2.06 0.00 3.75 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 2.05 2.09 0.00 103 S 8.45 4.68 0.00 4.00 3.92 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 0.00 104 S 8.11 4.84 0.00 3.84 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 0.00 105 P 0.00 4.74 0.00 2.03 2.10 0.00 3.64 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 2.01 1.98 0.00 106 S 8.49 4.57 0.00 3.53 3.92 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 0.00 107 M 8.31 5.25 0.00 1.85 1.73 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 108 A 9.01 4.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.91 5.12 0.00 1.79 1.56 1.08 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.05 5.25 0.00 1.78 1.56 0.95 0.89 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 0.00 111 K 8.82 4.61 0.00 1.85 1.69 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.37 7.81 112 G 9.43 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 0.00 113 K 9.14 4.48 0.00 2.05 2.12 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.49 7.81 114 E 7.99 4.65 0.00 2.07 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 2.27 2.27 0.00 115 V 8.43 4.35 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 0.87 0.00 0.00 0.97 0.00 0.00 116 V 8.57 4.42 1.73 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 0.70 0.00 0.00 0.81 0.00 0.00 117 H 7.82 4.92 0.00 3.23 3.12 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.18 5.00 0.00 2.86 2.74 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 0.00 119 I 7.83 4.29 1.57 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.47 0.73 0.00 0.00 120 P 0.00 4.73 0.00 2.14 2.41 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 121 R 9.05 4.03 0.00 1.99 2.01 0.00 3.16 0.00 0.00 3.61 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 122 H 8.13 4.53 0.00 3.29 3.46 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.81 4.33 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 124 I 7.75 4.23 1.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.26 0.86 0.00 0.00 125 E 8.04 3.98 0.00 1.93 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 2.31 2.34 0.00 126 G 9.03 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 0.00 127 H 7.78 5.07 0.00 3.27 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.00 4.77 0.00 2.66 2.56 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 0.00 129 M 8.76 4.03 0.00 2.10 2.06 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 2.65 2.67 0.00 130 E 8.12 3.94 0.00 2.01 1.94 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 2.31 1.94 0.00 131 E 8.09 4.14 0.00 2.17 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 0.00 2.41 2.54 0.00 132 I 7.72 3.57 1.81 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 1.03 0.82 0.00 0.00 133 M 7.94 4.12 0.00 2.21 2.25 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 2.49 2.80 0.00 134 K 8.19 4.05 0.00 2.01 1.96 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.27 7.81 135 N 8.32 4.16 0.00 2.80 2.90 0.00 0.00 7.25 6.67 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 0.00 136 L 8.30 3.55 0.00 1.42 1.02 0.85 0.61 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 0.00 137 T 8.66 3.37 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 1.18 0.00 0.00 138 A 7.88 3.99 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 0.00 139 A 7.75 3.88 1.19 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 0.00 0.00 0.00 140 F 8.23 4.45 0.00 3.21 3.12 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 0.00 0.00 0.00 0.00 141 D 8.24 4.31 0.00 2.82 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 0.00 142 A 8.08 4.11 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.01 4.81 0.00 3.28 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 C 9.05 4.30 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.