NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 M 4.3198 8.3044 118.1832 55.1674 32.6426 174.5481 24 D 4.5465 8.8764 121.8136 51.9971 42.9353 176.3728 25 F 4.3045 8.4358 120.1508 59.8656 39.8044 176.6112 26 E 4.3183 8.2781 116.3009 58.1176 29.6104 178.3937 27 D 4.4500 8.0418 120.1379 57.4202 41.0991 178.1651 28 I 3.9629 7.8115 119.7947 64.6599 37.1318 178.0508 29 Y 3.9688 8.1165 116.9009 60.9841 37.5219 178.4102 30 R 4.3126 7.8779 114.0278 57.1172 29.8608 176.2701 31 F 4.7474 8.6327 121.3103 59.0657 41.1172 176.6499 32 F 4.1849 8.2375 117.4678 59.0089 39.1095 176.1037 33 Q 4.3888 8.1751 118.3406 56.5664 30.4173 175.4380 34 D 4.8997 7.5900 114.9610 51.9832 40.9994 173.3778 35 P 3.8759 0.0000 0.0000 61.4075 32.6073 175.4614 36 P 4.3682 0.0000 0.0000 61.9932 31.8489 174.5710 37 P 4.4944 0.0000 0.0000 63.0143 32.9656 175.1803 38 H 4.7370 9.0881 118.8218 54.8632 29.9552 174.5406 39 Y 4.5748 8.8786 122.3180 57.4558 38.2552 175.9763 40 L 4.2376 8.6180 125.2650 55.1464 42.7671 177.6168 41 S 4.5278 8.4293 116.6352 57.0737 64.9082 175.1990 42 K 3.8459 8.5356 119.1858 59.6447 31.6289 179.3556 43 E 3.7824 7.9372 118.1580 59.4344 29.4896 179.1883 44 L 3.7885 7.6812 118.5212 57.4840 41.5143 179.5467 45 A 3.6793 7.7549 120.6755 55.1698 18.2686 179.5808 46 V 3.4052 7.5228 116.5890 66.4245 31.3398 178.1470 47 C 3.9923 7.7069 115.5525 62.9688 28.0207 175.1002 48 Y 2.6323 7.5850 121.3709 60.2610 37.9386 178.6295 49 V 2.9298 7.9306 119.0018 65.8768 31.6681 177.9601 50 L 3.8987 7.3893 118.4793 57.7956 41.1873 179.4656 51 A 3.9424 7.8456 120.1198 54.5786 18.4807 179.5907 52 V 3.6689 6.9051 116.8007 65.9335 31.8054 178.3385 53 L 4.9690 7.9550 119.8075 56.8892 41.2049 179.1486 54 R 4.2427 7.7783 116.8660 57.9003 30.1879 176.5760 55 H 4.8938 7.4740 114.0513 55.2932 30.6204 172.9349 56 E 4.7264 7.3942 115.1025 56.0583 32.3991 173.7531 57 D 5.4233 8.4337 118.4038 53.2912 42.9780 175.9989 58 S 4.6539 8.5509 115.1396 57.7670 66.8695 172.1052 59 Y 4.8300 7.7263 120.2346 54.6269 41.4179 175.4670 60 G 3.7502 9.4853 105.3997 50.2933 0.0000 175.4942 61 T 4.0018 8.3090 109.5473 64.1802 68.9881 176.1484 62 E 3.7989 7.9568 121.4287 58.8679 29.4077 178.4960 63 L 4.1780 7.8007 119.0023 56.8132 41.5825 179.1653 64 I 3.7847 7.1739 112.6061 63.5025 37.9824 177.9618 65 Q 3.9270 7.9433 121.0866 58.9865 28.7998 177.2719 66 H 4.0540 8.3006 119.3515 59.3215 29.5868 176.8615 67 L 4.3654 7.4152 120.3155 58.7759 42.2084 178.2904 68 E 4.1027 8.1333 118.5572 59.3295 29.1414 179.0561 69 T 3.8667 8.1977 110.3782 65.0808 68.8053 174.8182 70 H 4.3261 7.6780 116.5476 56.1589 29.7284 176.0787 71 W 5.3360 8.0953 119.1646 54.7462 31.2891 173.3439 72 P 4.3714 0.0000 0.0000 65.7764 31.1930 177.8380 73 N 4.5541 8.2072 114.4726 54.1562 39.0385 173.8706 74 Y 5.7128 7.8898 115.6989 55.6192 42.4551 174.5238 75 R 4.5682 8.1308 118.0442 54.8359 35.2916 174.0590 76 L 4.8061 8.0540 122.0430 53.2564 44.2434 177.4461 77 S 4.7415 8.9521 125.0439 58.3481 63.2241 174.6727 78 D 4.8992 8.7134 114.1162 55.6890 42.9172 178.0343 79 T 3.9426 7.8796 115.6785 66.6292 68.4897 176.6415 80 V 3.5413 7.4461 119.0423 66.0767 31.6648 177.6745 81 L 3.7471 7.9254 119.4878 58.4189 41.7038 178.3939 82 Y 4.0359 7.9006 116.4596 60.8229 37.8324 177.9321 83 T 3.8846 8.1681 116.5354 66.6080 68.5820 176.1648 84 A 3.9640 8.1426 122.7689 55.2909 18.1372 179.5319 85 L 3.7471 7.5253 115.6802 57.8034 42.0338 179.1495 86 K 4.0403 8.4964 119.8216 59.7765 32.2325 177.8859 87 F 4.0132 8.4758 120.7258 61.6176 39.3102 176.8976 88 L 4.1677 8.3346 115.1026 55.8304 41.0947 177.7586 89 E 4.4629 8.3319 120.6108 57.9402 30.7388 177.1373 90 D 4.4668 7.4371 114.2129 55.8241 40.8325 176.5876 91 E 4.3332 7.7135 117.9451 55.2154 30.2223 176.1612 92 Q 3.5566 8.2404 116.2635 56.9244 27.3617 174.8901 93 I 3.9895 7.4378 119.8419 63.7809 38.0354 176.2006 94 I 5.1313 8.3359 121.2463 59.3274 40.3599 175.5197 95 S 4.7842 8.7977 119.5057 56.5337 66.2614 173.1378 96 G 4.4173 8.3357 108.1396 44.6727 0.0000 170.9307 97 Y 4.2736 6.9695 116.7944 55.8412 41.4362 173.2481 98 W 5.4965 8.3027 118.7182 55.6202 31.6611 176.0758 99 K 4.7316 8.6046 122.0648 55.1333 35.3987 175.2529 100 K 4.5352 8.7709 128.2760 56.4079 33.7084 177.0688 101 V 4.1675 8.1156 117.7313 59.5233 33.8410 174.0457 102 E 3.9187 8.7289 125.4435 57.8587 29.5719 175.5567 103 G 4.0419 8.7386 118.1322 45.7045 0.0000 173.9292 104 R 4.5029 7.7234 118.6398 53.7543 32.9852 177.3204 105 G 3.8943 8.5335 114.4183 45.1953 0.0000 173.1507 106 R 4.3105 7.3196 116.8649 53.9956 33.1641 173.6043 107 P 4.6295 0.0000 0.0000 62.8045 31.9584 175.8245 108 R 4.4088 9.0242 125.6976 55.0527 31.8094 175.0956 109 R 4.3048 8.7702 126.9316 56.5851 30.8827 175.7165 110 M 4.5981 8.5906 126.8104 54.3140 34.7932 174.4878 111 Y 5.1255 8.4228 116.2407 56.9243 42.8792 174.6061 112 Q 4.9826 8.7041 118.4372 55.0971 32.8877 173.1903 113 L 4.4164 8.4900 118.9601 54.4408 42.2951 178.4841 114 A 3.9906 8.8591 125.3456 54.5949 18.9122 176.7619 115 Q 4.3798 7.4805 111.9288 54.9608 33.0606 174.3448 116 A 4.1971 8.4351 120.8713 54.4102 19.1429 176.9613 117 N 4.8423 7.7430 111.5189 51.5063 40.1694 174.7235 118 D 4.4624 8.4089 122.0797 53.7998 43.7812 174.1349 119 D 4.6499 8.6790 126.7416 55.8050 41.9315 178.7204 120 R 3.9719 8.0997 118.2648 58.2177 30.3872 176.6552 121 S 4.6951 7.8400 110.0544 58.0884 64.6985 175.9094 122 R 3.9158 8.1547 122.3176 59.7273 29.7754 177.8452 123 D 4.6957 7.9189 119.4694 56.1449 40.6036 178.5092 124 L 3.9452 7.9188 118.9752 57.9823 41.6200 179.3403 125 A 4.1791 7.8603 120.0147 55.1667 17.9501 179.4411 126 Q 4.1532 8.1843 118.1684 59.2705 29.0061 178.5072 127 L 4.1348 8.4807 120.6748 57.1775 41.5956 179.0044 128 W 4.3100 7.9955 127.9511 60.6474 30.4677 177.5038 129 E 3.6821 7.7630 117.2792 59.7055 29.1830 179.6858 130 R 3.9611 7.7334 117.3612 59.5875 30.0122 178.2555 131 Y 3.8221 7.8255 117.9384 61.0007 38.6139 178.1697 132 L 3.6862 7.2535 118.8112 55.9067 42.1247 177.5175 133 S 3.8082 7.1841 112.3227 59.6119 62.8531 174.0960 134 S 4.0453 8.5863 119.5137 58.8723 63.0302 171.1303 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 23 M 8.30 4.32 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 24 D 8.88 4.55 0.00 2.73 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 25 F 8.44 4.30 0.00 3.24 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 26 E 8.28 4.32 0.00 2.25 2.25 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 2.60 2.46 0.00 27 D 8.04 4.45 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.81 3.96 2.03 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.80 0.90 0.00 0.00 29 Y 8.12 3.97 0.00 3.12 3.09 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 30 R 7.88 4.31 0.00 2.11 2.07 0.00 3.27 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 31 F 8.63 4.75 0.00 3.17 3.50 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 32 F 8.24 4.18 0.00 2.88 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 33 Q 8.18 4.39 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.38 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 34 D 7.59 4.90 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 3.88 0.00 1.83 1.42 0.00 3.76 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 36 P 0.00 4.37 0.00 2.13 2.11 0.00 3.53 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 37 P 0.00 4.49 0.00 1.80 2.12 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 38 H 9.09 4.74 0.00 3.08 3.50 0.00 5.81 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.88 4.57 0.00 2.82 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 40 L 8.62 4.24 0.00 1.40 1.43 0.21 0.67 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 41 S 8.43 4.53 0.00 3.96 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 42 K 8.54 3.85 0.00 1.75 1.83 0.00 1.49 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.56 7.81 43 E 7.94 3.78 0.00 1.94 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 2.30 2.30 0.00 44 L 7.68 3.79 0.00 1.76 1.42 0.76 0.08 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 45 A 7.75 3.68 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 46 V 7.52 3.41 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 1.01 0.00 0.00 0.79 0.00 0.00 47 C 7.71 3.99 0.00 2.94 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 48 Y 7.59 2.63 0.00 1.43 2.36 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 49 V 7.93 2.93 1.89 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 0.74 0.00 0.00 0.76 0.00 0.00 50 L 7.39 3.90 0.00 1.71 1.64 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.85 3.94 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 52 V 6.91 3.67 1.83 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 0.90 0.00 0.00 0.45 0.00 0.00 53 L 7.96 4.97 0.00 1.63 1.70 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.78 4.24 0.00 1.77 2.01 0.00 3.24 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 55 H 7.47 4.89 0.00 3.24 3.30 0.00 5.71 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 E 7.39 4.73 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 57 D 8.43 5.42 0.00 2.65 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 58 S 8.55 4.65 0.00 3.74 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.73 4.83 0.00 3.20 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 60 G 9.49 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 61 T 8.31 4.00 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 62 E 7.96 3.80 0.00 1.16 1.12 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 2.00 2.16 0.00 63 L 7.80 4.18 0.00 1.84 1.76 0.67 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.17 3.78 2.00 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 1.70 0.71 0.94 0.00 0.00 65 Q 7.94 3.93 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 66 H 8.30 4.05 0.00 3.33 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.42 4.37 0.00 0.85 1.62 0.56 0.44 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 68 E 8.13 4.10 0.00 2.20 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 2.43 2.51 0.00 69 T 8.20 3.87 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 70 H 7.68 4.33 0.00 2.59 1.87 0.00 5.70 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 71 W 8.10 5.34 0.00 3.85 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 72 P 0.00 4.37 0.00 2.17 2.22 0.00 3.83 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 2.02 2.01 0.00 73 N 8.21 4.55 0.00 2.41 2.31 0.00 0.00 6.91 7.48 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 74 Y 7.89 5.71 0.00 3.06 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 75 R 8.13 4.57 0.00 0.67 1.06 0.00 3.16 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.02 0.00 76 L 8.05 4.81 0.00 1.33 1.37 0.75 0.81 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 77 S 8.95 4.74 0.00 4.09 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 78 D 8.71 4.90 0.00 2.81 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.88 3.94 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 1.24 0.00 0.00 80 V 7.45 3.54 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 1.07 0.00 0.00 0.94 0.00 0.00 81 L 7.93 3.75 0.00 1.59 1.45 0.77 -0.07 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 82 Y 7.90 4.04 0.00 3.38 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.17 3.88 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 1.23 0.00 0.00 84 A 8.14 3.96 1.29 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 0.00 0.00 85 L 7.53 3.75 0.00 1.80 1.70 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.50 4.04 0.00 1.88 2.12 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.53 7.81 87 F 8.48 4.01 0.00 3.18 3.28 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 88 L 8.33 4.17 0.00 1.85 1.69 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.33 4.46 0.00 2.15 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 2.22 2.32 0.00 90 D 7.44 4.47 0.00 2.63 2.63 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 0.00 0.00 0.00 91 E 7.71 4.33 0.00 1.70 1.70 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 1.74 1.47 0.00 92 Q 8.24 3.56 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 93 I 7.44 3.99 1.85 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 1.21 0.74 0.91 0.00 0.00 94 I 8.34 5.13 2.06 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 1.18 0.00 0.00 95 S 8.80 4.78 0.00 3.76 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 96 G 8.34 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.97 4.27 0.00 2.86 2.78 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 0.00 0.00 0.00 98 W 8.30 5.50 0.00 3.25 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 99 K 8.60 4.73 0.00 1.73 1.62 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.69 7.81 100 K 8.77 4.54 0.00 1.83 1.72 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.55 7.81 101 V 8.12 4.17 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 0.78 0.00 0.00 0.90 0.00 0.00 102 E 8.73 3.92 0.00 1.91 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 0.00 2.31 2.43 0.00 103 G 8.74 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 0.00 104 R 7.72 4.50 0.00 1.75 1.80 0.00 3.32 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 105 G 8.53 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 0.00 106 R 7.32 4.31 0.00 1.71 1.77 0.00 3.17 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 107 P 0.00 4.63 0.00 2.06 2.02 0.00 3.61 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 108 R 9.02 4.41 0.00 1.71 1.70 0.00 2.21 0.00 0.00 2.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.33 0.00 109 R 8.77 4.30 0.00 2.17 1.95 0.00 2.52 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 0.00 110 M 8.59 4.60 0.00 1.36 0.57 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 2.25 2.45 0.00 111 Y 8.42 5.13 0.00 3.02 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 0.00 112 Q 8.70 4.98 0.00 2.20 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 113 L 8.49 4.42 0.00 1.65 1.81 0.93 0.82 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 0.00 114 A 8.86 3.99 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 0.00 115 Q 7.48 4.38 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 116 A 8.44 4.20 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 0.00 117 N 7.74 4.84 0.00 2.71 2.76 0.00 0.00 6.61 8.06 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 0.00 118 D 8.41 4.46 0.00 2.59 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 0.00 119 D 8.68 4.65 0.00 2.82 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 0.00 120 R 8.10 3.97 0.00 1.77 2.10 0.00 3.20 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 121 S 7.84 4.70 0.00 4.00 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 0.00 122 R 8.15 3.92 0.00 2.16 2.11 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 123 D 7.92 4.70 0.00 2.82 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 0.00 124 L 7.92 3.95 0.00 1.84 1.71 1.01 0.90 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 0.00 125 A 7.86 4.18 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 0.00 126 Q 8.18 4.15 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 127 L 8.48 4.13 0.00 2.02 1.75 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 128 W 8.00 4.31 0.00 3.24 3.19 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 0.00 129 E 7.76 3.68 0.00 2.02 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 2.43 2.75 0.00 130 R 7.73 3.96 0.00 1.98 1.96 0.00 3.16 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 131 Y 7.83 3.82 0.00 2.96 2.82 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 0.00 132 L 7.25 3.69 0.00 1.35 1.39 -0.35 -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 0.00 133 S 7.18 3.81 0.00 3.76 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 0.00 134 S 8.59 4.05 0.00 3.97 3.72 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